Showing results for Phenylpropanoids and polyketides
Total number of hits: 956
Click on results for more details:
PCNDIDOT0010
(-)-Deltoin
Canonical SMILES: CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3
Class: Coumarins and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0014
(-)-Epiafzelechin
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0015
(-)-Epicatechin gallate
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Class: Flavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0017
(-)-Gomisin L1
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)OC)OCO3
Class: Tannins
Disease: AD, PD, Epilepsy
PCNDIDOT0018
(-)-Gomisin L2
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3CC1C)OCO4)OC)OC)OC)O
Class: Tannins
Disease: AD, PD, Epilepsy
PCNDIDOT0023
(-)-Mucronulatol
Canonical SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT0027
(-)-Pisatin
Canonical SMILES: COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT0032
(-)-Vestitol
Canonical SMILES: COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O
Class: Isoflavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0039
(+)-Balanophonin
Canonical SMILES: COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O
Class: 2-arylbenzofuran flavonoids
Disease: AD, Epilepsy
PCNDIDOT0041
(+)-Bornyl p-coumarate
Canonical SMILES: CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC=C(C=C3)O)C)C
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0042
(+)-Catechin Hydrate
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDOT0053
(+)-Medicarpin
Canonical SMILES: COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O
Class: Isoflavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0055
(+)-Praeruptorin A
Canonical SMILES: CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDOT0067
(1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: AD, Encephalitits, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDOT0073
(12S,13R)-9-hydroxy-3,17,18-trimethoxy-12,13-dimethyl-5,7-dioxapentacyclo[10.7.0.01,15.02,10.04,8]nonadeca-2(10),3,8,15,17-pentaen-19-one
Canonical SMILES: CC1CC2=CC(=C(C(=O)C23C1(CC4=C3C(=C5C(=C4O)OCO5)OC)C)OC)OC
Class: Tannins
Disease: AD, Epilepsy
PCNDIDOT0077
(18S,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
Canonical SMILES: CC1C(C2C3=CC(=C(C(=C3C4=C(C5=C(C=C4C1O2)OCO5)OC)OC)OC)OC)C
Class: Tannins
Disease: PD
PCNDIDOT0080
(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CCCCC2=CC=CC=C2)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0081
(1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0085
(1R,2R)-(+)-1,2-Diphenylethylenediamine
Canonical SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N
Class: Stilbenes
Disease: AD, PD, Epilepsy
PCNDIDOT0093
(1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,
Canonical SMILES: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
Class: Tannins
Disease: AD, Meningitis, Myasthenia Gravis
PCNDIDOT0096
(1R,4Z,6S,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Canonical SMILES: CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C
Class: Macrolides and analogues
Disease: AD, Epilepsy
PCNDIDOT0115
(2R)-2-[(Z)-3-[(2R,3R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
Class: 2-arylbenzofuran flavonoids
Disease: PD
PCNDIDOT0117
(2R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD
PCNDIDOT0118
(2r)-7-Hydroxy-5-methoxy-2-phenylchroman-4-one
Canonical SMILES: COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0119
(2R)-flavanone
Canonical SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Class: Flavonoids
Disease: PD
PCNDIDOT0120
(2R,3R)-3,4',7-Trihydroxyflavanone
Canonical SMILES: C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0123
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R)-6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-]
Class: Flavonoids
Disease: PD
PCNDIDOT0126
(2R,3S)-Dihydrodehydroconiferyl alcohol
Canonical SMILES: COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0128
(2R,4R)-2-Phenylchroman-4-ol
Canonical SMILES: C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0136
(2S)-Flavanone
Canonical SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Class: Flavonoids
Disease: PD
PCNDIDOT0139
(2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one
Canonical SMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0142
(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0143
(2S,3R,4S,5S,6R)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0157
(3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone
Canonical SMILES: COC1=CC(=C(C=C1)C2(COC3=C(C2=O)C=CC(=C3)O)O)O
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0159
(3R)-Claussequinone
Canonical SMILES: COC1=CC(=O)C(=CC1=O)C2CC3=C(C=C(C=C3)O)OC2
Class: Isoflavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0177
(4Z,6E)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadie n-3-one
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)C=C(C=CC2=CC(=C(C=C2)O)OC)O)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0205
(E)-3-(4-Hydroxyphenyl)-1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD
PCNDIDOT0207
(E)-4-Acetyloxy caffeic acid
Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0211
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate
Canonical SMILES: CCOC(=O)C=CC1=CC=C(C=C1)O
Class: Cinnamic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0212
(E)-p-coumaroylagmatine(1+)
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)NCCCC[NH+]=C(N)N)O
Class: Cinnamic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0223
(R)-2,6-Dihydroxy-2-(4-hydroxybenzyl)-4-methoxybenzofuran-3(2H)-one
Canonical SMILES: COC1=CC(=CC2=C1C(=O)C(O2)(CC3=CC=C(C=C3)O)O)O
Class: Aurone flavonoids
Disease: AD, Epilepsy
PCNDIDOT0225
(R)-4-Methoxydalbergione
Canonical SMILES: COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2
Class: Neoflavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0235
(R)-Marmin
Canonical SMILES: CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O
Class: Coumarins and derivatives
Disease: PD, Epilepsy
PCNDIDOT0236
(R)-Meranzin
Canonical SMILES: CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0250
(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0263
(Z)-2-Methoxycinnamaldehyde
Canonical SMILES: COC1=CC=CC=C1C=CC=O
Class: Cinnamaldehydes
Disease: AD, Epilepsy
PCNDIDOT0265
(Z)-3,4-Dimethoxycinnamic acid
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC
Class: Cinnamic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0271
(Z)-Ethyl cinnamate
Canonical SMILES: CCOC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDOT0276
(Z)-Methyl cinnamate
Canonical SMILES: COC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDOT0277
(Z)-resveratrol
Canonical SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: PD
PCNDIDOT0299
[(8R,9S)-8-[2-[(Z)-2-methylbut-2-enoyl]oxypropan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
Canonical SMILES: CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C
Class: Coumarins and derivatives
Disease: PD
PCNDIDOT0300
[(9R,10R)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
Canonical SMILES: CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)CC(C(CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C
Class: Tannins
Disease: AD
PCNDIDOT0302
[5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDOT0304
[8,8-Dimethyl-9-(2-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylbut-2-enoate
Canonical SMILES: CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0312
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)C=CCCC2=CC=C(C=C2)O)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0334
1,3-Benzenediol, 5-(7-((2E)-3,7-dimethyl-2,6-octadienyl)-6-methoxy-2-benzofuranyl)-
Canonical SMILES: CC(=CCCC(=CCC1=C(C=CC2=C1OC(=C2)C3=CC(=CC(=C3)O)O)OC)C)C
Class: 2-arylbenzofuran flavonoids
Disease: AD, Epilepsy
PCNDIDOT0358
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
Canonical SMILES: COC1=C(C=CC(=C1)C=CC=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0359
1,7-Bis(4-hydroxyphenyl)hepta-4,6-dien-3-one
Canonical SMILES: C1=CC(=CC=C1CCC(=O)C=CC=CC2=CC=C(C=C2)O)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0362
1,7-Diphenyl-4,6-heptadien-3-one
Canonical SMILES: C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0363
1,7-Diphenyl-4-hepten-3-one
Canonical SMILES: C1=CC=C(C=C1)CCC=CC(=O)CCC2=CC=CC=C2
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0364
1,7-Diphenyl-5-hydroxy-4,6-heptadien-3-one
Canonical SMILES: C1=CC=C(C=C1)CCC(=O)C=C(C=CC2=CC=CC=C2)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0365
1,7-Diphenylhept-6-EN-3-OL
Canonical SMILES: C1=CC=C(C=C1)CCC(CCC=CC2=CC=CC=C2)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0369
1-[(Z)-3-(3,4,5-Trimethoxyphenyl)propenoyl]-5,6-dihydro-2(1H)-pyridone
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDOT0390
12,15-Dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
Canonical SMILES: CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O
Class: Macrolides and analogues
Disease: Encephalitits, Meningitis
PCNDIDOT0428
1-Methoxyphaseollidin
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)C
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0444
2-((3,4-Dihydroxyphenyl)hydroxymethyl)-2,3-dihydro-7H-pyrano(2,3-g)-1,4-benzodioxin-7-one
Canonical SMILES: C1C(OC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C(C4=CC(=C(C=C4)O)O)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0450
2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES: CC(=CCC(CC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C(=C)C)C
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0451
2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES: CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)O)C
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0457
2-(2-Oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbutanoate
Canonical SMILES: CC(C)CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0459
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one
Canonical SMILES: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=O)C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0460
2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-3-chromanol
Canonical SMILES: COC1=C(C=C(C=C1)C2C(CC3=C(O2)C=C(C=C3OC)OC)O)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0465
2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-1-benzofuran-3-carbaldehyde
Canonical SMILES: COC1=CC(=CC2=C1OC(=C2C=O)C3=CC(=C(C=C3)O)OC)CCCO
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDOT0493
2,3,8-Tri-O-methylellagic acid
Canonical SMILES: COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)OC
Class: Tannins
Disease: AD, Epilepsy
PCNDIDOT0497
2,3-Dihydro-6,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Canonical SMILES: COC1=CC=C(C=C1)C2COC3=CC(=C(C=C3C2=O)O)O
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0501
2,3-Dimethyl-2,3-diphenylbutane
Canonical SMILES: CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2
Class: Stilbenes
Disease: AD, PD, Epilepsy
PCNDIDOT0511
2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[(E)-2-phenylethenyl]phenol
Canonical SMILES: COC1=C(C(=C(C(=C1)O)CC2=CC=C(C=C2)O)C=CC3=CC=CC=C3)CC4=CC=C(C=C4)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0522
2,4-Dimethylcinnamic acid
Canonical SMILES: CC1=CC(=C(C=C1)C=CC(=O)O)C
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0529
2',5,6-Trihydroxy-7,8-dimethoxyflavone
Canonical SMILES: COC1=C(C(=C2C(=O)C=C(OC2=C1OC)C3=CC=CC=C3O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0538
2',6,6',8-Tetrabromo-3,3',4',5,5',7-hexahydroxyflavone
Canonical SMILES: C12=C(C(=C(C(=C1OC(=C(C2=O)O)C3=C(C(=C(C(=C3Br)O)O)O)Br)Br)O)Br)O
Class: Flavonoids
Disease: Huntington disease
PCNDIDOT0575
2-Benzo[1,3]dioxol-5-yl-5,7-dimethoxy-chroman
Canonical SMILES: COC1=CC2=C(CCC(O2)C3=CC4=C(C=C3)OCO4)C(=C1)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0589
2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)-
Canonical SMILES: CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0590
2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C
Class: Coumarins and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0606
2-Hydroxychalcone
Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Epilepsy
PCNDIDOT0607
2-Hydroxycinnamic acid
Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0608
2'-Hydroxyformononetin
Canonical SMILES: COC1=CC(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0624
2-methoxy-4-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD
PCNDIDOT0628
2-Methoxycinnamic acid
Canonical SMILES: COC1=CC=CC=C1C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0656
2'-O-Methylisoliquiritigenin
Canonical SMILES: COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC=C(C=C2)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Epilepsy
PCNDIDOT0665
2-Phenylpropionic acid
Canonical SMILES: CC(C1=CC=CC=C1)C(=O)O
Class: Phenylpropanoic acids
Disease: AD, Epilepsy
PCNDIDOT0669
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, cis
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0670
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)OCC(CO)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDOT0676
3-(2-Hydroxy-4-methoxy-phenyl)-acrylic acid
Canonical SMILES: COC1=CC(=C(C=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0677
3-(2-Hydroxyphenyl)propanoate
Canonical SMILES: C1=CC=C(C(=C1)CCC(=O)[O-])O
Class: Phenylpropanoic acids
Disease: AD, Epilepsy
PCNDIDOT0678
3-(2-Hydroxyphenyl)propanoic acid
Canonical SMILES: C1=CC=C(C(=C1)CCC(=O)O)O
Class: Phenylpropanoic acids
Disease: AD, PD, Epilepsy
PCNDIDOT0681
3-(3,4-Dihydroxyphenyl)propionic acid
Canonical SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O
Class: Phenylpropanoic acids
Disease: AD, PD, Epilepsy
PCNDIDOT0682
3-(3-Hydroxyphenyl)propanoic acid
Canonical SMILES: C1=CC(=CC(=C1)O)CCC(=O)O
Class: Phenylpropanoic acids
Disease: AD, Epilepsy
PCNDIDOT0686
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)O)O
Class: Phenylpropanoic acids
Disease: AD, PD, Epilepsy
PCNDIDOT0688
3,2',4',6'-Tetrahydroxy-4,3'-dimethoxy chalcone
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)O)OC)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, Epilepsy
PCNDIDOT0689
3,3',4',5,5',7-Hexahydroxyflavylium
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDOT0690
3,3',4',5,6,7,8-Heptamethoxyflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0691
3,3',4',5,8-Pentahydroxyflavone
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=CC(=C3O2)O)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0692
3,3',5-Trimethoxybibenzyl
Canonical SMILES: COC1=CC=CC(=C1)CCC2=CC(=CC(=C2)OC)OC
Class: Stilbenes
Disease: PD, Epilepsy
PCNDIDOT0701
3,3'-Di-O-methylellagic acid
Canonical SMILES: COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O
Class: Tannins
Disease: AD, Epilepsy
PCNDIDOT0702
3',4',5',3,5,6,7-Heptamethoxyflavone
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0704
3',4',5,7-Tetramethoxyflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0706
3,4,5-Trimethoxycinnamic acid, (Z)-
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0710
3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol
Canonical SMILES: COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0711
3,4-Dihydrocoumarin
Canonical SMILES: C1CC(=O)OC2=CC=CC=C21
Class: 3,4-dihydrocoumarins
Disease: AD, PD, Epilepsy
PCNDIDOT0723
3,5-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES: C1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0726
3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0739
3,7-Di-O-methylquercetin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0740
3,9,10-Trimethoxypterocarpan
Canonical SMILES: COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)OC)OC
Class: Isoflavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0742
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT0743
3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0745
3-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0747
3-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0748
3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)OC5C(C(C(CO5)O)O)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDOT0764
3-Flavanol, trans-(+)-
Canonical SMILES: C1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)O
Class: Flavonoids
Disease: Meningitis
PCNDIDOT0767
3-Hydroxy-2',4',7-trimethoxyflavone
Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0768
3-Hydroxy-3',4',5,7-tetramethoxyflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC
Class: Flavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0770
3'-Hydroxy-4'-O-methylglabridin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)OC)O)O)C
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0772
3-Hydroxycinnamic acid
Canonical SMILES: C1=CC(=CC(=C1)O)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0773
3-Hydroxyflavone
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0779
3-Methoxycinnamic acid
Canonical SMILES: COC1=CC=CC(=C1)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0780
3'-Methoxydaidzein
Canonical SMILES: COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0781
3'-Methoxyglabradin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)O)OC)O)C
Class: Isoflavonoids
Disease: PD
PCNDIDOT0782
3'-Methoxyglabridin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)O)OC)O)C
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0790
3-Methyl-4-phenyl-3-buten-2-one
Canonical SMILES: CC(=CC1=CC=CC=C1)C(=O)C
Class: Cinnamic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0792
3-Methylcoumarin
Canonical SMILES: CC1=CC2=CC=CC=C2OC1=O
Class: Coumarins and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0798
3-O-Caffeoylshikimic acid
Canonical SMILES: C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDOT0799
3'-O-Methylorobol
Canonical SMILES: COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0800
3-O-Methylquercetin
Canonical SMILES: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0801
3'-O-Methyltaxifolin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT0806
3-Phenylpropionate
Canonical SMILES: C1=CC=C(C=C1)CCC(=O)[O-]
Class: Phenylpropanoic acids
Disease: AD, Epilepsy
PCNDIDOT0807
3-Phenylpropionic acid
Canonical SMILES: C1=CC=C(C=C1)CCC(=O)O
Class: Phenylpropanoic acids
Disease: AD, Epilepsy
PCNDIDOT0815
4',5,7-Trimethoxyflavone
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0816
4',5-Dihydroxy-3',5',6,7-tetramethoxyflavone
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0817
4',5-Dihydroxy-3'-methoxy-7-(beta-D-glucopyranosyloxy)flavanone
Canonical SMILES: COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0818
4',5-Dihydroxyflavone
Canonical SMILES: C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0819
4,6,7-Trimethoxy-5-methylcoumarin
Canonical SMILES: CC1=C2C(=CC(=C1OC)OC)OC(=O)C=C2OC
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0820
4,7-Dihydroxy-5-methoxy-6-methyl-8-formylflavan
Canonical SMILES: CC1=C(C(=C2C(=C1OC)C(CC(O2)C3=CC=CC=C3)O)C=O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0824
4-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
Canonical SMILES: CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0827
4-Acetoxycinnamic acid
Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0831
4-Amino-2-oxo-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
Canonical SMILES: C1C(=O)OC2=CC=CC=C2C1(C(=O)O)N
Class: 3,4-dihydrocoumarins
Disease: AD, Epilepsy
PCNDIDOT0843
4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0844
4H-1-Benzopyran-4-one, 2-(5-((2E)-3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-
Canonical SMILES: CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0845
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
Class: Flavonoids
Disease: PD
PCNDIDOT0846
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-
Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: AD
PCNDIDOT0851
4-Hydroxy-2,4'-dimethoxychalcone
Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)O)OC
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Epilepsy
PCNDIDOT0859
4-Hydroxycinnamic acid
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0860
4-Hydroxycoumarin
Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)O2)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0861
4-Hydroxyhomopterocarpin
Canonical SMILES: COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)OC
Class: Isoflavonoids
Disease: AD, PD, Epilepsy
PCNDIDOT0865
4'-Hydroxywogonin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0875
4-Methoxycinnamic acid
Canonical SMILES: COC1=CC=C(C=C1)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, Epilepsy
PCNDIDOT0877
4-Methoxymaackiain
Canonical SMILES: COC1=C(C=CC2=C1OCC3C2OC4=CC5=C(C=C34)OCO5)O
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0884
4'-Methylpinosylvin
Canonical SMILES: CC1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
Class: Stilbenes
Disease: AD, PD, Epilepsy
PCNDIDOT0885
4-Prenylresveratrol
Canonical SMILES: CC(=CCC1=C(C=C(C=C1O)C=CC2=CC=C(C=C2)O)O)C
Class: Stilbenes
Disease: AD, PD, Epilepsy
PCNDIDOT0898
5-(7-Methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C=C3)OCO4
Class: 2-arylbenzofuran flavonoids
Disease: AD, Epilepsy
PCNDIDOT0902
5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=C(C=CC(=C3)O)O)OC)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0903
5,6,7,3'-Tetrahydroxy-3,4'-dimethoxyflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0904
5,6,7,8-Tetrahydro-13,14-dimethoxy-6,7-dimethylcycloocta[1,2-f:3,4-f']bis[1,3]benzodioxol-5-ol
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1C)O)OCO5)OC)OC)OCO3
Class: Tannins
Disease: AD, Epilepsy
PCNDIDOT0906
5,6,7,8-Tetramethoxycoumarin
Canonical SMILES: COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0907
5,6,7-Trimethoxycoumarin
Canonical SMILES: COC1=C(C(=C2C=CC(=O)OC2=C1)OC)OC
Class: Coumarins and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0910
5,7,2',3'-Tetrahydroxyflavone
Canonical SMILES: C1=CC(=C(C(=C1)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0911
5,7,2',6'-Tetrahydroxyflavone
Canonical SMILES: C1=CC(=C(C(=C1)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0912
5,7,3',4',5'-Pentahydroxyflavanone
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0913
5,7,4'-Trihydroxy-6-methoxyflavanone
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0914
5,7,4'-Trihydroxy-8-methoxyflavanone
Canonical SMILES: COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0915
5,7,8,4'-Tetrahydroxy-3-methoxyflavone
Canonical SMILES: COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0917
5,7,8-Trimethoxycoumarin
Canonical SMILES: COC1=CC(=C(C2=C1C=CC(=O)O2)OC)OC
Class: Coumarins and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0918
5,7-Dihydroxy-2-(2-hydroxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3O)C(=C)C)C
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0919
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Canonical SMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0920
5,7-Dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES: CC(=CCC(CC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)OC)O)C(=C)C)C
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0921
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0922
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: AD
PCNDIDOT0923
5,7-Dihydroxy-3',4',5'-trimethoxyflavone
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0924
5,7-Dihydroxy-3',4'-dimethoxyflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0925
5,7-Dihydroxy-4-methylcoumarin
Canonical SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0927
5,7-Dihydroxycoumarin
Canonical SMILES: C1=CC(=O)OC2=CC(=CC(=C21)O)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0928
5,7-Dimethoxycoumarin
Canonical SMILES: COC1=CC2=C(C=CC(=O)O2)C(=C1)OC
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0929
5,7-Dimethoxyflavone
Canonical SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0933
5,8-Dihydroxy-6,7-dimethoxyflavone
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0940
5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
Canonical SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: AD, Epilepsy
PCNDIDOT0946
5-Hydroxy-1,7-diphenyl-3-heptanone
Canonical SMILES: C1=CC=C(C=C1)CCC(CC(=O)CCC2=CC=CC=C2)O
Class: Diarylheptanoids
Disease: AD, PD, Epilepsy
PCNDIDOT0947
5-Hydroxy-1,7-diphenylhept-6-en-3-one
Canonical SMILES: C1=CC=C(C=C1)CCC(=O)CC(C=CC2=CC=CC=C2)O
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0949
5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Canonical SMILES: C1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0950
5-Hydroxy-2',3',7,8-tetramethoxyflavone
Canonical SMILES: COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0951
5-Hydroxy-3',4',6,7-tetramethoxyflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0952
5-Hydroxy-3',4',7-trimethoxyflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0953
5-Hydroxy-3,6,7,4'-tetramethoxyflavone
Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC
Class: Flavonoids
Disease: AD
PCNDIDOT0954
5-Hydroxy-6,7,3',4'-tetramethoxyisoflavone
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC)OC
Class: Isoflavonoids
Disease: AD, Epilepsy
PCNDIDOT0955
5-Hydroxy-7,8-dimethoxyflavone
Canonical SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OC
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0956
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0957
5-Hydroxy-7-methoxy-2-phenylchroman-4-one
Canonical SMILES: COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDOT0963
5-Methoxy-1,7-diphenyl-3-heptanone
Canonical SMILES: COC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2
Class: Diarylheptanoids
Disease: AD, Epilepsy
PCNDIDOT0964
5-Methoxy-2-[(3r)-7-methoxy-3,4-dihydro-2h-chromen-3-yl]phenol
Canonical SMILES: COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O
Class: Isoflavonoids
Disease: PD
PCNDIDOT0970
6-(2,3-Dihydroxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
Canonical SMILES: CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDOT0976
6,7,4'-Trihydroxyisoflavan
Canonical SMILES: C1C(COC2=CC(=C(C=C21)O)O)C3=CC=C(C=C3)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT0977
6,7,4'-Trihydroxyisoflavone
Canonical SMILES: C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT0983
6a,12-Didehydrosumatrol
Canonical SMILES: CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT0986
6''-Acetylapiin
Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)OC5C(C(CO5)(CO)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT0988
6-Demethoxycapillarisin
Canonical SMILES: C1=CC(=CC=C1O)OC2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDOT0989
6-Demethoxytangeretin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDOT0995
6-Hydroxydihydrodaidzein
Canonical SMILES: C1C(C(=O)C2=CC(=C(C=C2O1)O)O)C3=CC=C(C=C3)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT0997
6-Hydroxykaempferol
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT0999
6-Hydroxyluteolin
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT1002
6-Methoxyflavone
Canonical SMILES: COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
Class: Flavonoids
Disease: AD, PD
PCNDIDOT1006
6''-O-Malonylgenistin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT1010
7,8,4'-Trihydroxyisoflavone
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDOT1012
7,8-Dihydroxyflavone
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT1014
7-[(2-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavanone
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD
PCNDIDOT1016
7-Acetoxy-2-methylisoflavone
Canonical SMILES: CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3
Class: Isoflavonoids
Disease: AD, PD
PCNDIDOT1019
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES: CC(=CCC1=CC2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)C
Class: Flavonoids
Disease: AD
PCNDIDOT1021
7-hydroxy-3-(4-hydroxyphenyl)-8-((3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
Class: Isoflavonoids
Disease: PD
PCNDIDOT1022
7-Hydroxy-5-methoxy-2-phenyl-chromen-4-one
Canonical SMILES: COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD
PCNDIDOT1023
7-Hydroxy-6-methoxy-4-phenylcoumarin
Canonical SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)O
Class: Neoflavonoids
Disease: AD
PCNDIDOT1024
7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
Canonical SMILES: CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3
Class: Isoflavonoids
Disease: AD
PCNDIDOT1025
7-Methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one
Canonical SMILES: COC1=C(C2=C(C=C1)C=CC(=O)O2)C3=C(C=C4C(=C3)C=CC(=O)O4)OC
Class: Coumarins and derivatives
Disease: AD
PCNDIDOT1027
7-Methoxycoumarin
Canonical SMILES: COC1=CC2=C(C=C1)C=CC(=O)O2
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDOT1031
7-O-Methyleriodictyol
Canonical SMILES: COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT1032
7-O-Methylisomucronulatol
Canonical SMILES: COC1=CC2=C(CC(CO2)C3=C(C(=C(C=C3)OC)OC)O)C=C1
Class: Isoflavonoids
Disease: AD, PD
PCNDIDOT1033
7-O-Methylluteolin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDOT1037
8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
Canonical SMILES: CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDOT1038
8-Acetyl-2H-furo[2,3-H]chromen-2-one
Canonical SMILES: CC(=O)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD
PCNDIDOT1040
8-Hydroxy-6-methoxy-3,4-dimethylisochromen-1-one
Canonical SMILES: CC1=C(OC(=O)C2=C1C=C(C=C2O)OC)C
Class: Isocoumarins and derivatives
Disease: AD
PCNDIDOT1042
8-Hydroxybergapten
Canonical SMILES: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDOT1048
8-O-methylretusin
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDOT1049
8-Prenyl-5,7,4'-trihydroxyisoflavone
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)[O-])C
Class: Isoflavonoids
Disease: AD
PCNDIDOT1050
8-Prenylnaringenin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C
Class: Flavonoids
Disease: AD
PCNDIDA0002
Abrectorin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)O)OC)O
Class: Flavonoids
Disease: AD, PD
PCNDIDA0004
Acacetin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD, Huntington disease
PCNDIDA0005
Acacetin-7-O-beta-D-galactopyranoside
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDA0013
Acetoxyl oxokadsurane
Canonical SMILES: CC1CC2=CC(=C(C(=O)C23COC4=C3C(=CC5=C4OCO5)C(C1C)OC(=O)C)OC)OC
Class: Tannins
Disease: AD
PCNDIDA0025
Acteoside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDA0027
Acuminatin
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)OC)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDA0032
Afrormosin
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDA0033
Afzelin
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDA0036
Agrimoniin
Canonical SMILES: C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)OC6C7C(C8C(O6)COC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O8)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O7)O)O)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: PD
PCNDIDA0046
Alaternin
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCC3C(C(C(C(O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)O)O)O)O)C)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDA0059
Alloimperatorin
Canonical SMILES: CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDA0060
Alloisoimperatorin
Canonical SMILES: CC(=CCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDA0063
Allyl cinnamate
Canonical SMILES: C=CCOC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDA0068
Alnusiin
Canonical SMILES: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C7=C6C8=C(C(=C(C=C8C(=O)O7)O)OC9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDA0111
alpha-Viniferin
Canonical SMILES: C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDA0114
Ambrettolide
Canonical SMILES: C1CCCCOC(=O)CCCCCC=CCCC1
Class: Macrolides and analogues
Disease: AD
PCNDIDA0116
Amentoflavone
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDA0121
Amurensin E
Canonical SMILES: C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(=CC1=C8C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)OC(=C9C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDA0129
Andrographin
Canonical SMILES: COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDA0137
Angelicin
Canonical SMILES: C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDA0138
Angelicone
Canonical SMILES: CC(=CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDA0139
Angelol G
Canonical SMILES: CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDA0140
Angeloylgomisin H
Canonical SMILES: CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)CC(C(CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C
Class: Tannins
Disease: PD
PCNDIDA0141
Angeloylisogomisin O
Canonical SMILES: CC=C(C)C(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)C)C
Class: Tannins
Disease: AD
PCNDIDA0152
Apigenin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDA0153
Apigenin 7,4'-dimethyl ether
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
Class: Flavonoids
Disease: AD
PCNDIDA0154
Apigenin-7-O-glucoside with HPLC [578-74-5]
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD
PCNDIDA0155
Apiin
Canonical SMILES: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O
Class: Flavonoids
Disease: Epilepsy
PCNDIDA0163
Apterin
Canonical SMILES: CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDA0168
Arcapillin
Canonical SMILES: COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDA0169
Archangelicin
Canonical SMILES: CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C
Class: Coumarins and derivatives
Disease: PD, Epilepsy
PCNDIDA0191
Aromadendrin
Canonical SMILES: C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDA0195
Artemetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDA0198
Artepillin C
Canonical SMILES: CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)O)C
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDA0199
Artocarpetin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDA0200
Artonin U
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC)C
Class: Flavonoids
Disease: AD
PCNDIDA0209
Aspalathin
Canonical SMILES: C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDA0217
Astilbin
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Class: Flavonoids
Disease: Meningitis, Myasthenia Gravis
PCNDIDA0218
Astragalin
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDA0219
Astraisoflavanin
Canonical SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDA0220
Atalantoflavone
Canonical SMILES: CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDA0237
Auraptenol
Canonical SMILES: CC(=C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDA0238
Aureusidin
Canonical SMILES: C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Aurone flavonoids
Disease: AD
PCNDIDA0239
Auriculoside
Canonical SMILES: COC1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)C3CCC4=C(O3)C=C(C=C4)O)O
Class: Flavonoids
Disease: AD
PCNDIDA0242
Avenanthramide E
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDA0244
Axillarin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDA0245
Ayanin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDA0246
Azaleatin
Canonical SMILES: COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDB0002
Baicalein
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis
PCNDIDB0003
Baicalin
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDB0008
Baohuoside I
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDB0009
Baohuoside II
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDB0015
Bavachinin
Canonical SMILES: CC(=CCC1=CC2=C(C=C1OC)OC(CC2=O)C3=CC=C(C=C3)O)C
Class: Flavonoids
Disease: AD, PD
PCNDIDB0017
Belamphenone
Canonical SMILES: C1=CC(=CC=C1C(=O)CC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: AD
PCNDIDB0019
Benzene, 1,3-dimethoxy-5-(2-phenylethyl)-
Canonical SMILES: COC1=CC(=CC(=C1)CCC2=CC=CC=C2)OC
Class: Stilbenes
Disease: AD, PD
PCNDIDB0024
Benzenepropanoic acid, alpha,3,4-trihydroxy-, (aS)-
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)O)O)O
Class: Phenylpropanoic acids
Disease: AD, PD
PCNDIDB0029
Benzopinacol
Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
Class: Stilbenes
Disease: PD, Epilepsy
PCNDIDB0030
Benzoyl oxokadsurane
Canonical SMILES: CC1CC2=CC(=C(C(=O)C23COC4=C3C(=CC5=C4OCO5)C(C1C)OC(=O)C6=CC=CC=C6)OC)OC
Class: Tannins
Disease: AD
PCNDIDB0034
Benzoylgomisin O
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDB0035
Benzoylgomisin Q
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(C1(C)O)OC(=O)C4=CC=CC=C4)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: AD
PCNDIDB0040
Benzyl cinnamate
Canonical SMILES: C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDB0051
Bergapten
Canonical SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDB0053
Besigomsin
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: AD, PD
PCNDIDB0059
beta-Anhydroicaritin
Canonical SMILES: CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C
Class: Flavonoids
Disease: Epilepsy
PCNDIDB0096
Betavulgarin
Canonical SMILES: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O
Class: Isoflavonoids
Disease: AD
PCNDIDB0106
Bifendate
Canonical SMILES: COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
Class: Tannins
Disease: AD
PCNDIDB0111
Bilobetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDB0112
biochanin A
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDB0119
Bisdemethoxycurcumin
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
Class: Diarylheptanoids
Disease: AD
PCNDIDB0127
Bolusanthol B
Canonical SMILES: CC(=CCC1=C(C(=CC(=C1)C2COC3=CC(=CC(=C3C2=O)O)O)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDB0130
Bornyl caffeate
Canonical SMILES: CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC(=C(C=C3)O)O)C)C
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDB0135
Brevicornin
Canonical SMILES: CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)OC
Class: Flavonoids
Disease: AD
PCNDIDB0137
Broussoaurone A
Canonical SMILES: CC(=CCC1=CC2=C(C=C1O)OC(=CC3=CC(=C(C=C3)O)O)C2=O)C
Class: Aurone flavonoids
Disease: AD
PCNDIDB0138
Broussochalcone A
Canonical SMILES: CC(=CCC1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C=C2)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDB0139
Broussoflavan A
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1C3CCC4=C(O3)C=C(C=C4)O)C(C(C(O2)(C)C)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDB0140
Broussoflavonol F
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDB0141
Broussoflavonol G
Canonical SMILES: CC(=CCC1=C(C(=C(C=C1C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)O)CC=C(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDB0146
Butanedioic acid, (phenylmethylene)-
Canonical SMILES: C1=CC=C(C=C1)C=C(CC(=O)O)C(=O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDB0147
Butein
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Meningitis
PCNDIDB0148
Butin
Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDB0163
Byakangelicin
Canonical SMILES: CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDB0164
Byakangelicol
Canonical SMILES: CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0006
Caffeic Acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDC0008
Caffeoyl-l-malic acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)C(CC(=O)O)(C(=O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0009
Caffeoyltartaric acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0010
Cajanin
Canonical SMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDC0011
Calceolarioside A
Canonical SMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0013
Calebin A
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDC0015
Calophyllolide
Canonical SMILES: CC=C(C)C(=O)C1=C(C2=C(C3=C1OC(=O)C=C3C4=CC=CC=C4)OC(C=C2)(C)C)OC
Class: Neoflavonoids
Disease: AD
PCNDIDC0017
Calycosin
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
Class: Isoflavonoids
Disease: AD, Meningitis, Multiple sclreosis
PCNDIDC0018
Calycosin 7-O-glucoside
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDC0031
Canniprene
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)OC)CCC2=CC(=CC(=C2)OC)O)C
Class: Stilbenes
Disease: AD
PCNDIDC0033
Caohuoside B
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)O)O)OC(=O)C
Class: Flavonoids
Disease: AD
PCNDIDC0036
Capillarin
Canonical SMILES: CC#CCC1=CC2=CC=CC=C2C(=O)O1
Class: Isocoumarins and derivatives
Disease: AD
PCNDIDC0037
Capillarisin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=CC2=O)OC3=CC=C(C=C3)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0050
Cardamonin
Canonical SMILES: COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Encephalitits, Huntington disease, Meningitis
PCNDIDC0058
Carthamidin
Canonical SMILES: C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: AD
PCNDIDC0065
Caryatin
Canonical SMILES: COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDC0071
Casticin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDC0072
Castillicetin
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0073
Casuarinin
Canonical SMILES: C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
Class: Tannins
Disease: PD
PCNDIDC0075
Catechin 7-O-gallate
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0076
Catechin pentaacetate
Canonical SMILES: CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C
Class: Flavonoids
Disease: AD
PCNDIDC0087
Cedrusin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDC0088
Celacinnine
Canonical SMILES: C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3
Class: Macrolactams
Disease: AD
PCNDIDC0095
Chalepin
Canonical SMILES: CC(C)(C=C)C1=CC2=CC3=C(C=C2OC1=O)OC(C3)C(C)(C)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0100
Chebulagic acid
Canonical SMILES: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDC0102
Chebulinic acid
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Class: Tannins
Disease: AD
PCNDIDC0115
Chlorophorin
Canonical SMILES: CC(=CCCC(=CCC1=C(C=C(C=C1O)C=CC2=C(C=C(C=C2)O)O)O)C)C
Class: Stilbenes
Disease: AD
PCNDIDC0119
Chrysin
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDC0120
Chrysin-7-O-glucuronide
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0121
Chrysoeriol
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0125
Chrysosplenetin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDC0126
Chrysosplenin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0127
Chrysosplenol C
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDC0129
Cianidanol
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0131
Cichoriin
Canonical SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0138
CID 115063
Canonical SMILES: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD, Huntington disease
PCNDIDC0147
CID 21159160
Canonical SMILES: CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Class: Flavonoids
Disease: PD
PCNDIDC0159
CID 75130910
Canonical SMILES: CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1(C)O)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDC0160
Cimicifugic acid A
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0161
Cimicifugic acid B
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0162
Cimicifugic acid F
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC=C(C=C2)O)(C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0163
Cimiracemate A
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)CC2=CC(=C(C=C2)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0164
Cimiracemate B
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)CC2=CC(=C(C=C2)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0165
cinchonain Ib
Canonical SMILES: C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0167
Cinnamaldehyde
Canonical SMILES: C1=CC=C(C=C1)C=CC=O
Class: Cinnamaldehydes
Disease: AD, PD, Encephalitits, Meningitis
PCNDIDC0168
Cinnamic acid
Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0170
Cinnamyl alcohol
Canonical SMILES: C1=CC=C(C=C1)C=CCO
Class: Cinnamyl alcohols
Disease: AD, PD
PCNDIDC0171
Cirsilineol
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0172
Cirsiliol
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDC0173
Cirsimaritin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDC0180
cis-2-Methoxycinnamic acid
Canonical SMILES: COC1=CC=CC=C1C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDC0181
cis-4-Coumarate
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)[O-]
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0188
cis-Caffeic acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDC0189
cis-Ferulic acid
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDC0191
cis-Pinosylvin
Canonical SMILES: C1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O
Class: Stilbenes
Disease: AD
PCNDIDC0196
Citromitin
Canonical SMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDC0204
Clitoriacetal
Canonical SMILES: COC1=CC(=C2C(=C1)OC3C(OC4=CC(=C(C=C4C3(C2=O)O)OC)OC)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDC0207
Cnidiadin
Canonical SMILES: CC(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0209
Cnidilin
Canonical SMILES: CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0211
Cniforin A
Canonical SMILES: CC(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0226
Columbianadin
Canonical SMILES: CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0227
Columbianetin
Canonical SMILES: CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0228
Columbianetin acetate
Canonical SMILES: CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0235
Coniferyl ferulate
Canonical SMILES: COC1=C(C=CC(=C1)C=CCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0241
Coriandrin
Canonical SMILES: CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC
Class: Isocoumarins and derivatives
Disease: PD
PCNDIDC0243
Corilagin
Canonical SMILES: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
Class: Tannins
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDC0258
Cosmosiin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0263
Coumarin
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=O)O2
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0264
Coumarin 343
Canonical SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0265
Coumestrol
Canonical SMILES: C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O
Class: Isoflavonoids
Disease: AD
PCNDIDC0266
Coumurrayin
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0270
Crotin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC(=C(C=C3)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDC0289
Curcumin
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDC0297
Cyanidin
Canonical SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Huntington disease
PCNDIDC0298
Cyanidin 3-O-rutinoside
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0299
Cyanin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0308
Cyclocurcumin
Canonical SMILES: COC1=C(C=CC(=C1)C=CC2=CC(=O)CC(O2)C3=CC(=C(C=C3)O)OC)O
Class: Diarylheptanoids
Disease: AD, PD
PCNDIDC0316
Cyclomorusin
Canonical SMILES: CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C
Class: Flavonoids
Disease: AD
PCNDIDC0317
Cyclomulberrin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDC0324
Cynaroside
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0002
Daidzein
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDD0003
Daidzin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDD0005
Dalbergin
Canonical SMILES: COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O
Class: Neoflavonoids
Disease: AD, PD
PCNDIDD0011
Danshensu
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)O)O)O
Class: Phenylpropanoic acids
Disease: PD
PCNDIDD0013
Daphnetin
Canonical SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDD0014
Daphnoretin
Canonical SMILES: COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0022
Decuroside III
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0023
Decursin
Canonical SMILES: CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDD0039
Dehydrodiisoeugenol
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD, Epilepsy
PCNDIDD0051
delfinidin-3-O-glucoside
Canonical SMILES: C1=C(C=C(C(=C1O)[O-])O)C2=C(C=C3C(=CC(=O)C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0052
Delphinidin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
Class: Flavonoids
Disease: AD
PCNDIDD0062
Demethoxycurcumin
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
Class: Diarylheptanoids
Disease: AD, PD
PCNDIDD0063
Demethylbatatasin IV
Canonical SMILES: C1=CC=C(C(=C1)CCC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: AD, PD
PCNDIDD0064
Demethylfuropinnarin
Canonical SMILES: CC(C)(C=C)C1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0065
Demethylsuberosin
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0066
Demethylwedelolactone
Canonical SMILES: C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O
Class: Isoflavonoids
Disease: AD
PCNDIDD0074
denudatin A
Canonical SMILES: CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC4=C(C=C3)OCO4
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDD0085
Desmethoxyyangonin
Canonical SMILES: COC1=CC(=O)OC(=C1)C=CC2=CC=CC=C2
Class: Kavalactones
Disease: AD
PCNDIDD0098
Dibenzo(a,C)cyclooctene-1,7-diol, 5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, 1-benzoate, (6S,7S,12aR)-
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC
Class: Tannins
Disease: AD
PCNDIDD0100
Dibenzoylmethane
Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD
PCNDIDD0107
Dichotomitin
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4
Class: Isoflavonoids
Disease: AD
PCNDIDD0108
Dichotosin
Canonical SMILES: COC1=CC=C(C=C1)C2CCC3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDD0111
Dicumarol
Canonical SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0114
Didymin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0119
Diffutin
Canonical SMILES: COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDD0120
Digallate
Canonical SMILES: C1=C(C=C(C(=C1O)[O-])O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O
Class: Depsides and depsidones
Disease: AD
PCNDIDD0132
Dihydrokaempferide
Canonical SMILES: COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0133
Dihydrokavain
Canonical SMILES: COC1=CC(=O)OC(C1)CCC2=CC=CC=C2
Class: Kavalactones
Disease: AD
PCNDIDD0134
Dihydromethysticin
Canonical SMILES: COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3
Class: Kavalactones
Disease: AD
PCNDIDD0136
Dihydromyricetin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDD0139
Dihydroresveratrol
Canonical SMILES: C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: AD
PCNDIDD0154
Diosmetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0155
Diosmin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDD0162
Divanillalaceton
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDD0186
Duartin
Canonical SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDE0002
Echinatin
Canonical SMILES: COC1=C(C=CC(=C1)O)C=CC(=O)C2=CC=C(C=C2)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDE0003
Eckol
Canonical SMILES: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)O)O)O)O)O
Class: Tannins
Disease: AD, PD
PCNDIDE0006
Edultin
Canonical SMILES: CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDE0015
Ellagic Acid
Canonical SMILES: C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
Class: Tannins
Disease: AD, PD
PCNDIDE0016
Ellagitannin
Canonical SMILES: CC(=O)CC1(C(=O)C=C2C3C1(OC4=C3C(=CC(=C4O)O)C(=O)OC5C6COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)OC5C(C(O6)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC2=O)O)O)O)O)O)O)O)O
Class: Tannins
Disease: AD, PD
PCNDIDE0030
Epiafzelechin 5-O-beta-D-glucopyranoside
Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O
Class: Flavonoids
Disease: AD
PCNDIDE0032
Epicatechin
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDE0035
Epigallocatechin
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
Class: Flavonoids
Disease: PD
PCNDIDE0036
Epigallocatechin Gallate
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDE0038
Epimedin B
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(CO6)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDE0039
Epimedoside C
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDE0040
Epimedoside D
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDE0047
Eriodictin
Canonical SMILES: CC1C(C(C(C(O1)OC2=CC(=C3C(=O)CC(OC3=C2)C4=CC(=C(C=C4)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDE0048
Eriodyctiol (flavanone)
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDE0051
Ermanin
Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDE0065
Esculetin
Canonical SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O
Class: Coumarins and derivatives
Disease: AD, PD, Huntington disease
PCNDIDE0066
Esculin
Canonical SMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDE0085
Ethyl brevifolincarboxylate
Canonical SMILES: CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O
Class: Isocoumarins and derivatives
Disease: AD
PCNDIDE0087
Ethyl caffeate
Canonical SMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDE0088
Ethyl cinnamate
Canonical SMILES: CCOC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDE0097
Ethyl rosmarinate
Canonical SMILES: CCOC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDE0112
Eupalitin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDE0113
Eupatilin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC
Class: Flavonoids
Disease: AD, PD, Huntington disease
PCNDIDE0114
Eupatin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDE0116
Eupatolitin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDE0117
Eupatorin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
Class: Flavonoids
Disease: AD, Myasthenia Gravis
PCNDIDE0120
Eurycarpin A
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)C2=COC3=C(C2=O)C=CC(=C3)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDF0008
Farrerol
Canonical SMILES: CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
Class: Flavonoids
Disease: AD
PCNDIDF0018
Ferujol
Canonical SMILES: CC(C)CCCC(=CCOC1=C(C=CC2=C1OC(=O)C=C2)O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDF0019
Ferulic acid
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDF0021
Fisetin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDF0022
Fisetinidol
Canonical SMILES: C1C(C(OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDF0023
Flavanone
Canonical SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Class: Flavonoids
Disease: AD, PD
PCNDIDF0024
Flavanone, 5,7-dihydroxy-6-methoxy-
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD
PCNDIDF0027
Flavokawain b
Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDF0028
Flavone
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
Class: Flavonoids
Disease: AD, PD
PCNDIDF0029
Flavylium
Canonical SMILES: C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2
Class: Flavonoids
Disease: AD, PD
PCNDIDF0031
Flemiphilippinin C
Canonical SMILES: CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC(=C(C=C4)O)OC)O)C=CC(O2)(C)C)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDF0039
Formononetin
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDF0042
Forsythiaside
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDF0047
Fraxetin
Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDF0048
Fraxin
Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDF0050
Fraxinol
Canonical SMILES: COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDF0052
Frutinone A
Canonical SMILES: C1=CC=C2C(=C1)C3=C(C(=O)C4=CC=CC=C4O3)C(=O)O2
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDF0054
Fukinolic acid
Canonical SMILES: C1=CC(=C(C=C1CC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDF0055
Fukugetin
Canonical SMILES: C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0004
Galangin
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDG0009
Gallocatechin
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
Class: Flavonoids
Disease: AD, Epilepsy
PCNDIDG0010
Gallocatechin-(4alpha->8)-epigallocatechin
Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0011
Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C(=C7)O)O)O)O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0012
Gallotannin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDG0030
Gancaonin A
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)OC)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDG0031
Gancaonin B
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)OC)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0032
Gancaonin G
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0033
Gancaonin H
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0034
Ganhuangenin
Canonical SMILES: COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0036
Gardenin D
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0042
Gemin A
Canonical SMILES: C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4OC5=CC(=CC(=C5O)O)C(=O)OC6C(C(C7C(O6)COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDG0046
Genistein
Canonical SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
Class: Isoflavonoids
Disease: AD, Encephalitits, Meningitis, Multiple sclreosis
PCNDIDG0047
Genistin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDG0048
Genkwanin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0069
Gingerenone A
Canonical SMILES: COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: AD
PCNDIDG0070
Gingerenone B
Canonical SMILES: COC1=CC(=CC(=C1O)OC)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC
Class: Diarylheptanoids
Disease: AD
PCNDIDG0072
Ginkgetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDG0092
Glabranin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)C
Class: Flavonoids
Disease: AD
PCNDIDG0093
Glabrene
Canonical SMILES: CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(C=C(C=C4)O)OC3)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0094
Glabridin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDG0095
Glabrone
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDG0099
Glepidotin A
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=CC=C3)O)C
Class: Flavonoids
Disease: AD
PCNDIDG0100
Glepidotin B
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(C(O2)C3=CC=CC=C3)O)C
Class: Flavonoids
Disease: AD
PCNDIDG0102
Glucosyringic acid
Canonical SMILES: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C(=O)O
Class: Tannins
Disease: AD
PCNDIDG0107
Glyasperin B
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)OC)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDG0108
Glyasperin C
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OCC(C2)C3=C(C=C(C=C3)O)O)OC)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDG0109
Glyasperin F
Canonical SMILES: CC1(C=CC2=C(C=CC(=C2O1)C3COC4=CC(=CC(=C4C3=O)O)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0110
Glyceollin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0113
Glycitein
Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDG0114
Glycitin
Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDG0116
Glycycoumarin
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC(=O)C(=C2)C3=C(C=C(C=C3)O)O)OC)C
Class: Isoflavonoids
Disease: AD, PD, Huntington disease
PCNDIDG0117
Glycyrin
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0118
Glycyrol
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C
Class: Isoflavonoids
Disease: AD
PCNDIDG0120
Glycyrrhisoflavone
Canonical SMILES: CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O)C
Class: Isoflavonoids
Disease: PD
PCNDIDG0121
Glycyrrhiza flavonol A
Canonical SMILES: CC1(C(CC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)C
Class: Flavonoids
Disease: AD, PD
PCNDIDG0125
Glyzaglabrin
Canonical SMILES: C1OC2=C(O1)C(=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDG0126
Gnaphaliin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0128
Gomisin H
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)O)OC)OC
Class: Tannins
Disease: AD
PCNDIDG0129
Gomisin J
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)O)OC)OC)OC)OC)O
Class: Tannins
Disease: AD, PD
PCNDIDG0130
Gomisin K2, (+)-
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)O
Class: Tannins
Disease: AD
PCNDIDG0131
Gomisin M2
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)O)OCO3
Class: Tannins
Disease: AD, PD
PCNDIDG0132
gomisin N
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: AD, PD
PCNDIDG0133
Gomisin O
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)O)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDG0134
Gomisin S
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(C1C)O)OC)OC)OC)OC)OC)O
Class: Tannins
Disease: AD
PCNDIDG0135
Gossypetin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDG0136
Gossypetin 3,4'-dimethyl ether
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDG0137
Gossypetin 3-methyl ether
Canonical SMILES: COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0138
Gossypetin hexamethyl ether
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDG0139
Gossypin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDG0142
Granatin A
Canonical SMILES: C1C2C3C(C(C(O2)C(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)OC(=O)C6=CC(=O)C7(C(C6C8=C(O7)C(=C(C=C8C(=O)O3)O)O)(O)O)O)O
Class: Tannins
Disease: AD
PCNDIDG0143
Grandidentatin
Canonical SMILES: C1CCC(C(C1)O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C=CC3=CC=C(C=C3)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDH0011
Helichrysin A
Canonical SMILES: C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
Class: Flavonoids
Disease: AD
PCNDIDH0012
Hemerocallone
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
Class: Isoflavonoids
Disease: AD, PD
PCNDIDH0015
Heraclenin
Canonical SMILES: CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
Class: Coumarins and derivatives
Disease: PD, Epilepsy
PCNDIDH0016
Herbacetin
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDH0017
Hernandezine
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC
Class: Tannins
Disease: AD, PD
PCNDIDH0018
Hesperidin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Multiple sclreosis
PCNDIDH0024
Hexadecyl ferulate
Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
Class: Cinnamic acids and derivatives
Disease: Epilepsy
PCNDIDH0025
Hexahydrocurcumin
Canonical SMILES: COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)O)O
Class: Diarylheptanoids
Disease: AD
PCNDIDH0026
Hexandraside D
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDH0027
Hexandraside E
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDH0045
Hispidulin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDH0071
Hymecromone
Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDH0078
Hyperoside
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy, Huntington disease,
PCNDIDH0079
Hypolaetin
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDH0080
Hypolaetin-8-glucoside
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0006
Icariside I
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)OC4C(C(C(C(O4)CO)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0007
Icaritin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0009
Idaein
Canonical SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-]
Class: Flavonoids
Disease: AD
PCNDIDI0010
Ikarisoside C
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0011
Imperatorin
Canonical SMILES: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDI0022
Inophyllum E
Canonical SMILES: CC1C(OC2=C(C1=O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C
Class: Neoflavonoids
Disease: AD
PCNDIDI0024
Integerrimine
Canonical SMILES: CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
Class: Macrolides and analogues
Disease: AD
PCNDIDI0025
Interiotherin A
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDI0026
Iridin
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0028
Irigenin
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0029
Irilone
Canonical SMILES: C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0030
Irisflorentin
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0031
Irisolidone
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Class: Isoflavonoids
Disease: AD, Meningitis
PCNDIDI0032
Irisolone
Canonical SMILES: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0034
Iristectorigenin A
Canonical SMILES: COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0035
Iristectorigenin B
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0039
Isoacteoside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: Meningitis
PCNDIDI0045
Isobavachalcone
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDI0046
Isobavachin
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0049
Isobutyl cinnamate
Canonical SMILES: CC(C)COC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDI0062
Isoduartin
Canonical SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)O)OC
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0063
Isoengeletin
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0067
Isoferulic acid
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDI0068
Isoflavone
Canonical SMILES: C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0069
Isoflavone, 2',4',5-trihydroxy-7-methoxy-
Canonical SMILES: COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0070
Isoformononetin
Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0071
Isofraxidin
Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0073
Isogingerenone B
Canonical SMILES: COC1=CC(=CC(=C1O)OC)CCC(=O)C=CCCC2=CC(=C(C=C2)O)OC
Class: Diarylheptanoids
Disease: AD, PD
PCNDIDI0074
Isoglycyrol
Canonical SMILES: CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C
Class: Isoflavonoids
Disease: AD
PCNDIDI0076
Isogosferol
Canonical SMILES: CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0079
Isoimperatorin
Canonical SMILES: CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDI0082
Isokaempferide
Canonical SMILES: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: AD
PCNDIDI0084
Isokurarinone
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C
Class: Flavonoids
Disease: AD
PCNDIDI0087
Isolicoflavonol
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0088
Isoliquiritigenin
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Meningitis, Multiple sclreosis
PCNDIDI0089
Isoliquiritin
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0092
Isomeranzin
Canonical SMILES: CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0095
Isoorientin
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0102
Isopimpinellin
Canonical SMILES: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDI0104
Isoponcimarin
Canonical SMILES: CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC3C(O3)(C)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0113
Isoquercetin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0114
Isoquercitin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDI0115
Isoquercitrin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0116
Isorhamnetin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Huntington disease
PCNDIDI0117
Isorhoifolin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0121
Isosativan
Canonical SMILES: COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0122
Isoschisandrin
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: PD, Epilepsy
PCNDIDI0123
Isoscopoletin
Canonical SMILES: COC1=C(C=C2C=CC(=O)OC2=C1)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0124
Isosinensetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDI0129
Isoterchebin
Canonical SMILES: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O1)O)O
Class: Tannins
Disease: AD, PD
PCNDIDI0131
Isothymonin
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)OC)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0132
Isothymusin
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDI0134
Isotrifoliol
Canonical SMILES: COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0136
Isouvaretin
Canonical SMILES: COC1=C(C(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O)CC3=CC=CC=C3O
Class: Diarylheptanoids
Disease: AD
PCNDIDI0139
Isovitexin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0140
Isoxanthohumol
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C
Class: Flavonoids
Disease: AD
PCNDIDJ0001
Jaceidin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDJ0002
Jaceosidin
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDJ0005
Jatamansin
Canonical SMILES: CC=C(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDK0001
kadsulignan L
Canonical SMILES: CC1C(C2C3=CC(=C(C(=C3C4=C(C5=C(C=C4C1O2)OCO5)OC)OC)OC)OC)C
Class: Tannins
Disease: AD, PD
PCNDIDK0004
Kadsurenin M
Canonical SMILES: CC1C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)OC)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDK0005
Kadsurenone
Canonical SMILES: CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD
PCNDIDK0006
Kadsurin
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)OC)OC)OC)OC
Class: Tannins
Disease: AD
PCNDIDK0009
Kadsutherin
Canonical SMILES: CC=C(C)C(=O)OC1=C2C(=CC3=C1OCO3)CC(C(CC4=CC(=C(C(=C42)OC)OC)OC)C)C
Class: Tannins
Disease: AD, PD
PCNDIDK0010
Kaempferide
Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDK0011
Kaempferitrin
Canonical SMILES: CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0012
Kaempferol
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDK0013
Kaempferol 3-arabinofuranoside 7-rhamnofuranoside
Canonical SMILES: CC(C1C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(O4)CO)O)O)C5=CC=C(C=C5)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0014
Kaempferol 3-O-arabinoside
Canonical SMILES: C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0015
Kaempferol 3-p-coumarate
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0016
Kaempferol 7-alpha-L-arabinoside
Canonical SMILES: C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0017
kaempferol 7-O-glucoside
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0018
Kaempferol-7-rhamnoside
Canonical SMILES: CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDK0020
Kakkatin
Canonical SMILES: COC1=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDK0021
Kanzonol B
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C=CC(=O)C3=C(C=C(C=C3)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDK0022
Kanzonol F
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OCC3C2OC4=C3C=C5C=CC(OC5=C4)(C)C)OC)C
Class: Isoflavonoids
Disease: AD
PCNDIDK0023
Karanjin
Canonical SMILES: COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4
Class: Flavonoids
Disease: AD
PCNDIDK0025
Kavain
Canonical SMILES: COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2
Class: Kavalactones
Disease: AD
PCNDIDK0030
Koparin
Canonical SMILES: COC1=C(C(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDK0031
Koprutin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)[O-])O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O.[Na+]
Class: Flavonoids
Disease: AD
PCNDIDK0032
Kumatakenin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0033
Kuraridine
Canonical SMILES: CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C(=C)C)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDK0034
Kurarinol
Canonical SMILES: CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDK0035
Kurarinone
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C
Class: Flavonoids
Disease: AD
PCNDIDK0036
Kushenin
Canonical SMILES: COC1=C(C=C2C(=C1)C3COC4=C(C3O2)C=CC(=C4)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDK0037
Kushenol C
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C
Class: Flavonoids
Disease: AD
PCNDIDK0038
Kushenol D
Canonical SMILES: CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=C(C=C(C=C2)O)OC)O)C(=C)C)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDK0039
Kuwanon A
Canonical SMILES: CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDK0040
Kuwanon B
Canonical SMILES: CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)C
Class: Flavonoids
Disease: AD
PCNDIDK0041
Kuwanon F
Canonical SMILES: CC(=CCCC1(C=CC2=CC(=C(C=C2O1)O)C3CC(=O)C4=C(C=C(C=C4O3)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDK0042
Kuwanon S
Canonical SMILES: CC(=CCCC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDK0043
Kuwanon U
Canonical SMILES: CC(=CCCC(=CCC1=CC(=C(C=C1OC)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDL0001
L-(-)-3-Phenyllactic acid
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)O
Class: Phenylpropanoic acids
Disease: AD
PCNDIDL0013
Lanceolarin
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDL0016
Laricitrin
Canonical SMILES: COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDL0031
Leonticine
Canonical SMILES: CN(C)CCC1=C(C(=C(C=C1)OC)O)C=CC2=CC=C(C=C2)OC
Class: Stilbenes
Disease: AD, PD
PCNDIDL0033
Leptodactylone
Canonical SMILES: COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC
Class: Coumarins and derivatives
Disease: AD
PCNDIDL0036
Leucocyanidin
Canonical SMILES: C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDL0037
Leucopelargonidin
Canonical SMILES: C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDL0038
Leukoefdin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDL0042
Licarin B
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C=C3)OCO4
Class: 2-arylbenzofuran flavonoids
Disease: PD, Epilepsy
PCNDIDL0043
Licoagrocarpin
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OCC3C2OC4=C3C=CC(=C4)OC)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDL0044
Licoagroisoflavone
Canonical SMILES: CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
Class: Isoflavonoids
Disease: AD
PCNDIDL0045
Licochalcone a
Canonical SMILES: CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD
PCNDIDL0046
Licochalcone B
Canonical SMILES: COC1=C(C=CC(=C1O)O)C=CC(=O)C2=CC=C(C=C2)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDL0047
Licochalcone G
Canonical SMILES: CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)OC)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDL0048
Licocoumarone
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD
PCNDIDL0049
Licoflavonol
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDL0050
Licoisoflavanone
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=CC(=CC(=C4C3=O)O)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDL0051
Licoisoflavone A
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDL0052
Licoisoflavone B
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=CC(=C4C3=O)O)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDL0053
Licopyranocoumarin
Canonical SMILES: CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO
Class: Isoflavonoids
Disease: AD, PD
PCNDIDL0054
Licoricone
Canonical SMILES: CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C
Class: Isoflavonoids
Disease: AD
PCNDIDL0060
Limocitrin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDL0077
Liquiritigenin
Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: PD
PCNDIDL0078
Liquiritin
Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDL0090
Lonicerin
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDL0093
Loureirin A
Canonical SMILES: COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD
PCNDIDL0099
Lunularic acid
Canonical SMILES: C1=CC(=C(C(=C1)O)C(=O)O)CCC2=CC=C(C=C2)O
Class: Stilbenes
Disease: AD
PCNDIDL0102
Lupiwighteone
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)C
Class: Isoflavonoids
Disease: Epilepsy
PCNDIDL0105
Luteolin
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD, Meningitis, Myasthenia Gravis
PCNDIDL0106
Luteolin 7-glucuronide
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDL0107
Luteolin-4'-glucoside
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDL0108
Luteolin-4'-o-glucoside
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDL0109
Luteolinidin
Canonical SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDL0110
Luteone
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDM0001
Maackiain
Canonical SMILES: C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
Class: Isoflavonoids
Disease: AD
PCNDIDM0018
Malonyldaidzin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0021
Malvidin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDM0022
Malvin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDM0025
Marmin
Canonical SMILES: CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDM0026
Martynoside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDM0032
Mearnsetin
Canonical SMILES: COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDM0034
Medicagol
Canonical SMILES: C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C(C=C5)O)OC4=O
Class: Isoflavonoids
Disease: AD
PCNDIDM0035
Medicarpin 3-O-glucoside
Canonical SMILES: COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0037
Melafolone
Canonical SMILES: CCC(C)C(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)C=CC2=CC=CC=C2)OC
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDM0041
Melianoninol
Canonical SMILES: COC1=CC2=C(C=C1)OC(C2CO)C3=C(C=C(C(=C3)O)C=CC=O)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0048
Meranzin hydrate
Canonical SMILES: CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDM0052
Mesquitol
Canonical SMILES: C1C(C(OC2=C1C=CC(=C2O)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDM0056
Methoxsalen
Canonical SMILES: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDM0082
Methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)benzoate
Canonical SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C(=C(C=C2C(=O)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: AD
PCNDIDM0095
Methyl caffeate
Canonical SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDM0098
Methyl cinnamate
Canonical SMILES: COC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDM0101
Methyl ferulate
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDM0126
Methysticin
Canonical SMILES: COC1=CC(=O)OC(C1)C=CC2=CC3=C(C=C2)OCO3
Class: Kavalactones
Disease: AD
PCNDIDM0131
Mirificin
Canonical SMILES: C1C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0143
Morachalcone A
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDM0144
Moracin A
Canonical SMILES: COC1=CC2=C(C=C(O2)C3=CC(=CC(=C3)O)O)C(=C1)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0145
Moracin B
Canonical SMILES: COC1=CC(=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)OC)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0146
Moracin D
Canonical SMILES: CC1(C=CC2=C(C=C(C=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0147
Moracin E
Canonical SMILES: CC1(C=CC2=C(C=C(C=C2O1)O)C3=CC4=C(O3)C=C(C=C4)O)C
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0148
Moracin F
Canonical SMILES: COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0149
Moracin G
Canonical SMILES: CC1=CCC2=C(C=CC3=C2OC(=C3)C4=CC(=CC(=C4)O)O)OC1
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0150
Moracin H
Canonical SMILES: CC1=CCC2=C3C(=C(C=C2OC1)OC)C=C(O3)C4=CC(=CC(=C4)O)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0151
Moracin O
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0152
Morin
Canonical SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDM0154
Morusin
Canonical SMILES: CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDM0155
Mosloflavone
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)OC
Class: Flavonoids
Disease: AD
PCNDIDM0157
Mudanoside A
Canonical SMILES: COC1=C(C=CC(=C1)C(=O)OCC2C(C(C(C(O2)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDM0158
Mulberrin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDM0159
Mulberrofuran A
Canonical SMILES: CC(=CCCC(=CCC1=C(C=C(C=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O)C)C
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0160
Mulberroside C
Canonical SMILES: CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)OC5C(C(C(CO5)O)O)O)O)O)C
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD
PCNDIDM0161
Muningin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0171
Myricanone
Canonical SMILES: COC1=C2C=C(CCCCC(=O)CCC3=CC2=C(C=C3)O)C(=C1OC)O
Class: Diarylheptanoids
Disease: AD
PCNDIDM0172
Myricetin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis
PCNDIDM0173
Myricetin 3-O-glucuronide
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDM0174
Myricitrin
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDM0179
Myrtillin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]
Class: Flavonoids
Disease: AD, PD
PCNDIDN0015
N-[2-(1H-Imidazole-4-yl)ethyl]-3-(3-methoxy-4-hydroxyphenyl)propenamide
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CN=CN2)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDN0021
Narceine
Canonical SMILES: CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
Class: Stilbenes
Disease: AD
PCNDIDN0024
Naringenin
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: PD, Epilepsy, Huntington disease
PCNDIDN0025
Naringin
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDN0026
Nasunin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O.[Cl-]
Class: Flavonoids
Disease: AD
PCNDIDN0030
Negletein
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDN0032
Neobavachalcone
Canonical SMILES: COC1=CC(=C(C=C1C=O)C(=O)C=CC2=CC=C(C=C2)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDN0033
Neobavaisoflavone
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDN0034
Neobyakangelicol
Canonical SMILES: CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDN0036
Neoisoliquiritin
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDN0038
Neoliquiritin
Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
Class: Flavonoids
Disease: AD, PD
PCNDIDN0046
Neouralenol
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=CC(=C(C=C3O2)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDN0048
Nepetin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDN0055
Nevadensin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O
Class: Flavonoids
Disease: AD, PD
PCNDIDN0056
N-Feruloyl-3-methoxytyramine, (Z)-
Canonical SMILES: COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDN0070
Nobiletin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis
PCNDIDN0071
Nodakenetin
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDN0072
Nodakenin
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDN0077
Norartocarpetin
Canonical SMILES: C1=CC(=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD
PCNDIDN0087
Norkadsurin
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)OC)O)OC)OC
Class: Tannins
Disease: AD
PCNDIDN0088
Norkurarinol
Canonical SMILES: CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDN0099
Norwogonin
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O
Class: Flavonoids
Disease: AD
PCNDIDN0101
Nothofagin
Canonical SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDN0104
Notoptol
Canonical SMILES: CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CC=CC(C)(C)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDN0107
N-trans-p-Coumaroyloctopamine
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDN0108
Nubigenol
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)C2=C(C=C(C=C2O)O)O)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDN0111
Nymphaeol A
Canonical SMILES: CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDO0004
Obtustyrene
Canonical SMILES: COC1=C(C=CC(=C1)O)CC=CC2=CC=CC=C2
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDO0009
Octadecyl caffeate
Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O
Class: Cinnamic acids and derivatives
Disease: Epilepsy
PCNDIDO0011
O-Desmethylangolensin
Canonical SMILES: CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O
Class: Alpha-methyldeoxybenzoin flavonoids
Disease: AD
PCNDIDO0012
Odoratin
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDO0013
Ohioensin-A
Canonical SMILES: C1C2C3C(C4=C(C=CC(=C4)O)C5=C3C(=C(C=C5O)O)C1=O)OC6=CC=CC=C26
Class: Isoflavonoids
Disease: AD
PCNDIDO0023
Ombuin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDO0027
Ononin
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDO0029
Orientin
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDO0033
Oroselol
Canonical SMILES: CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDO0034
Oroselone
Canonical SMILES: CC(=C)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD
PCNDIDO0035
Orotinin
Canonical SMILES: CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=CC=C4O)O)O)C=CC(O2)(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDO0036
Oroxin A
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDO0037
Oroxindin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDO0038
Oroxylin A
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD, PD
PCNDIDO0039
Osthole
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDO0045
Oxyayanin B
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDO0048
Oxyimperatorin
Canonical SMILES: CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDO0050
Oxynarcotine
Canonical SMILES: CNCCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
Class: Stilbenes
Disease: AD
PCNDIDO0054
Oxyresveratrol
Canonical SMILES: C1=CC(=C(C=C1O)O)C=CC2=CC(=CC(=C2)O)O
Class: Stilbenes
Disease: AD
PCNDIDP0002
Pabulenol
Canonical SMILES: CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDP0004
Pachypodol
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDP0013
Palustroside
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0017
Paniculatin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDP0027
Patuletin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDP0029
p-Coumaroyltyramine
Canonical SMILES: C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDP0032
Pectolinarigenin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
Class: Flavonoids
Disease: AD, PD
PCNDIDP0033
Pedalitin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0035
Pedicellin
Canonical SMILES: COC1=C(C(=C(C(=C1OC)OC)OC)OC)C(=O)C=CC2=CC=CC=C2
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDP0036
Pedunculagin
Canonical SMILES: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD, PD
PCNDIDP0038
Pelargonidin
Canonical SMILES: C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDP0039
Pelargonidin 3-O-galactoside
Canonical SMILES: C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0041
Penduletin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDP0045
Pentyl cinnamate
Canonical SMILES: CCCCCOC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDP0046
Peonidin
Canonical SMILES: COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0047
peonidin-3-O-beta-D-glucoside
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=O)C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O)[O-]
Class: Flavonoids
Disease: AD
PCNDIDP0058
Petunidin
Canonical SMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0059
Petunidin 3-glucoside
Canonical SMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0060
Petunidin chloride
Canonical SMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
Class: Flavonoids
Disease: AD
PCNDIDP0061
Peucenidin
Canonical SMILES: CC(=CC(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC(=O)C)C
Class: Coumarins and derivatives
Disease: Epilepsy
PCNDIDP0063
Phaseol
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C3=C2OC4=C3C=CC(=C4)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDP0064
Phaseolin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDP0065
Phaseolinisoflavan
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C=C(C=C4)O)OC3)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDP0066
Phaseollidin
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDP0067
Phellamurin
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDP0068
Phellodenol C
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)CO
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDP0069
Phellodensin C
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0070
Phellopterin
Canonical SMILES: CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDP0092
Phloretin
Canonical SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDP0093
Phlorizin
Canonical SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDP0100
p-Hydroxyphenylethyl p-coumarate
Canonical SMILES: C1=CC(=CC=C1CCOC(=O)C=CC2=CC=C(C=C2)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDP0109
Piceatannol
Canonical SMILES: C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O
Class: Stilbenes
Disease: AD
PCNDIDP0110
Piceatannol 3'-O-glucoside
Canonical SMILES: C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Stilbenes
Disease: AD
PCNDIDP0111
Piceid
Canonical SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
Class: Stilbenes
Disease: AD
PCNDIDP0118
Pinocembrin
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
Class: Flavonoids
Disease: AD, PD, Meningitis, Multiple sclreosis
PCNDIDP0127
Piperlongumine
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDP0133
Pisatin
Canonical SMILES: COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O
Class: Isoflavonoids
Disease: AD
PCNDIDP0134
Piscidic acid
Canonical SMILES: C1=CC(=CC=C1CC(C(C(=O)O)O)(C(=O)O)O)O
Class: Phenylpropanoic acids
Disease: AD
PCNDIDP0143
Podoverine A
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C
Class: Flavonoids
Disease: AD
PCNDIDP0144
Pomiferin
Canonical SMILES: CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C
Class: Isoflavonoids
Disease: AD
PCNDIDP0145
Poncimarin
Canonical SMILES: CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OCC4C(O4)(C)C)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDP0148
Poriol
Canonical SMILES: CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0149
praeroside IV
Canonical SMILES: CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC4C(C(C(C(O4)CO)O)O)O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDP0150
Praeruptorin E
Canonical SMILES: CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDP0152
Pranferol
Canonical SMILES: CC(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDP0153
Pratensein
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDP0162
Procyanidin
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0163
Procyanidin B2
Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0164
Procyanidin B-5 3,3'-di-O-gallate
Canonical SMILES: C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDP0175
Propyl cinnamate
Canonical SMILES: CCCOC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDP0188
Prunetin
Canonical SMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDP0189
Prunin
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
Class: Flavonoids
Disease: AD
PCNDIDP0197
Pseudobaptigenin
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O
Class: Isoflavonoids
Disease: AD
PCNDIDP0202
Psoralen
Canonical SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
Class: Coumarins and derivatives
Disease: AD, PD, Myasthenia Gravis
PCNDIDP0206
Pterocarpine
Canonical SMILES: COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5
Class: Isoflavonoids
Disease: AD, PD
PCNDIDP0212
Pterostilbene
Canonical SMILES: COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC
Class: Stilbenes
Disease: AD, PD, Huntington disease
PCNDIDP0213
Pteryxin
Canonical SMILES: CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDP0214
Puerarin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
Class: Isoflavonoids
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDP0217
Punicalagin
Canonical SMILES: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
Class: Tannins
Disease: Meningitis, Myasthenia Gravis
PCNDIDQ0001
Qianhucoumarin A
Canonical SMILES: CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDQ0002
Quercetagetin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O
Class: Flavonoids
Disease: AD, Myasthenia Gravis
PCNDIDQ0003
Quercetagetin-6,7-3',4'-tetramethyl Ether
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDQ0004
Quercetin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDQ0005
Quercetin 3,3'-dimethyl ether
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDQ0006
Quercetin 3,4'-diglucoside
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDQ0007
quercetin 3-O-glucuronide
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDQ0008
Quercetin pentamethyl ether
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDQ0009
Quercetin-3-glucoside
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-]
Class: Flavonoids
Disease: AD
PCNDIDQ0010
Quercetin-3-O-arabinoside
Canonical SMILES: C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDQ0011
Quercitrin
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDR0002
Ranupetin
Canonical SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDR0014
Resveratrol
Canonical SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: AD, PD, Huntington disease, Meningitis
PCNDIDR0015
Resveratroloside
Canonical SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Stilbenes
Disease: Encephalitits, Meningitis
PCNDIDR0018
Retusin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDR0020
Rhamnazin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDR0021
Rhamnetin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDR0022
Rhamnocitrin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDR0023
Rhamnocitrin 3-rhamnoside
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDR0024
Rhapontin
Canonical SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
Class: Stilbenes
Disease: AD
PCNDIDR0032
Rivularin (flavone)
Canonical SMILES: COC1=CC=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O
Class: Flavonoids
Disease: AD
PCNDIDR0033
Robinetin
Canonical SMILES: C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDR0034
Robinin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDR0039
Rosmarinic acid
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD, Huntington disease, Myasthenia Gravis
PCNDIDR0040
Rottlerin
Canonical SMILES: CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)O
Class: Diarylheptanoids
Disease: AD, Meningitis
PCNDIDR0045
Rubrobrassicin
Canonical SMILES: C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDR0047
Rubschisandrin
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: PD, Epilepsy
PCNDIDR0048
Rubschisantherin
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)OC(=O)C)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDR0051
Rutamarin
Canonical SMILES: CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C
Class: Coumarins and derivatives
Disease: Epilepsy
PCNDIDR0052
Rutin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Epilepsy, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDS0002
Safflor Yellow A
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(C4C(C(C(C(O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDS0005
Sagittatoside A
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)OC5C(C(C(C(O5)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0023
Salvianic acid B
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDS0024
Salvianolic acid A
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O
Class: Stilbenes
Disease: AD, PD, Huntington disease
PCNDIDS0026
Salvigenin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0031
Sanggenol A
Canonical SMILES: CC(=CCCC(=CCC1=C(C=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0032
Sanggenol L
Canonical SMILES: CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0033
Sanggenol N
Canonical SMILES: CC(=CCC1=CC(=C(C2=C1OC(C=C2)(C)C)O)C3CC(=O)C4=C(C=C(C=C4O3)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0034
Sanggenone H
Canonical SMILES: CC1(C=CC2=C(C=CC(=C2O1)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0035
Sanggenone K
Canonical SMILES: CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0041
Saponarin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0042
Sappanchalcone
Canonical SMILES: COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC(=C(C=C2)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD
PCNDIDS0046
Sativanone
Canonical SMILES: COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC
Class: Isoflavonoids
Disease: AD
PCNDIDS0050
Schisandrin
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: AD, PD
PCNDIDS0051
Schisanhenol
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC
Class: Tannins
Disease: AD, PD
PCNDIDS0052
Schisantherin B
Canonical SMILES: CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC
Class: Tannins
Disease: PD, Epilepsy
PCNDIDS0053
Schizandrer A
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDS0054
Schizandrin
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: PD, Epilepsy
PCNDIDS0055
Schizandrin C
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4CC1C)OCO5)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDS0059
Sciadopitysin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDS0060
Scoparone
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDS0062
Scopoletin
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDS0063
Scopolin
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0064
Scutellarein
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0065
Scutellarin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, Meningitis
PCNDIDS0066
Scutevulin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0075
Semilicoisoflavone B
Canonical SMILES: CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDS0090
Sesibiricin
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OCC=C(C)C)OC)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDS0096
Sexangularetin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0100
Shinflavanone
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0101
Shinpterocarpin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC(=C5)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDS0104
Sideritoflavone
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDS0105
Sigmoidin B
Canonical SMILES: CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0112
Sinapic acid
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDS0114
Sinensetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDS0120
Skimmin
Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0121
Skullcapflavone I
Canonical SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)OC
Class: Flavonoids
Disease: AD
PCNDIDS0122
Skullcapflavone II
Canonical SMILES: COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0124
Sodium ferulate
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)[O-])O.[Na+]
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDS0130
Sophoradochromene
Canonical SMILES: CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C=CC(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDS0131
Sophoraflavanone G
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0132
Sophoraisoflavanone A
Canonical SMILES: CC(=CCC1=C(C=CC(=C1OC)C2COC3=CC(=CC(=C3C2=O)O)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDS0133
Sophoranone
Canonical SMILES: CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0134
Sophoricoside
Canonical SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDS0138
Specioside
Canonical SMILES: C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDS0141
Sphondin
Canonical SMILES: COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0142
Spinacetin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0143
Spinosin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0144
Spiraeoside
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0148
Squamatic acid
Canonical SMILES: CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O
Class: Depsides and depsidones
Disease: AD
PCNDIDS0151
Stachyurin
Canonical SMILES: C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
Class: Tannins
Disease: AD, PD
PCNDIDS0158
Stepposide
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=C(C=C(C=C4)O)O
Class: Flavonoids
Disease: Epilepsy
PCNDIDS0159
Sterigmatocystin
Canonical SMILES: COC1=C2C(=C3C4C=COC4OC3=C1)OC5=CC=CC(=C5C2=O)O
Class: Sterigmatocystins
Disease: AD
PCNDIDS0161
Stevenin
Canonical SMILES: COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)O)O
Class: Neoflavonoids
Disease: AD
PCNDIDS0170
Suberosin
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0176
Sumatrol
Canonical SMILES: CC(=C)C1CC2=C(O1)C=C(C3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDS0181
Swertisin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0184
Symplocosidin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0190
Syringetin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0003
Tamarixetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDT0005
Tangeretin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDT0013
Taspine
Canonical SMILES: CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC
Class: Coumarins and derivatives
Disease: AD
PCNDIDT0015
Taxifolin
Canonical SMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDT0016
Tectochrysin
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
Class: Flavonoids
Disease: AD
PCNDIDT0017
Tectoridin
Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDT0018
Tectorigenin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDT0021
Tenaxin I
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3O)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDT0022
Tephrosin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)C
Class: Isoflavonoids
Disease: AD
PCNDIDT0035
Tetrahydrocurcumin
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: AD
PCNDIDT0036
Tetrahydrodemethoxydiferuloylmethane
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC=C(C=C2)O)O
Class: Diarylheptanoids
Disease: AD
PCNDIDT0041
Texasin
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDT0046
Thalsimine
Canonical SMILES: CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5
Class: Tannins
Disease: AD
PCNDIDT0047
Theaflavine
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0052
Thermopsoside
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0056
thonningianin A
Canonical SMILES: C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDT0057
thonningianin B
Canonical SMILES: C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDT0065
Thymonin
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDT0068
Tigloylgomisin P
Canonical SMILES: CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC
Class: Tannins
Disease: AD, PD
PCNDIDT0073
Tomentolide A
Canonical SMILES: CC1C(OC2=C3C(=CC(=O)OC3=C4C=CC(OC4=C2C1=O)(C)C)C5=CC=CC=C5)C
Class: Neoflavonoids
Disease: AD
PCNDIDT0074
Tomentolide B
Canonical SMILES: CCCC1=CC(=O)OC2=C3C=CC(OC3=C4C(=O)C(C(OC4=C12)C)C)(C)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDT0085
trans-Chalcone
Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDT0090
Tricetin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD
PCNDIDT0092
Tricin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDT0096
Trifolirhizin
Canonical SMILES: C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
Class: Isoflavonoids
Disease: AD
PCNDIDT0117
Troxerutin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDU0002
Umbelliferone
Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDU0007
Uralene
Canonical SMILES: CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDU0009
urolithin A
Canonical SMILES: C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDU0010
urolithin B
Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O
Class: Coumarins and derivatives
Disease: AD
PCNDIDV0022
Vestitone
Canonical SMILES: COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDV0023
Vicenin-2
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDV0025
Vincetoxicoside B
Canonical SMILES: CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDV0027
Vinyl caffeate
Canonical SMILES: C=COC(=O)C=CC1=CC(=C(C=C1)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDV0028
Violanone
Canonical SMILES: COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDV0032
Viscidulin I
Canonical SMILES: C1=CC(=C(C(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDV0033
Viscidulin II
Canonical SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=C(C=CC=C3O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDV0038
Vitexin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDW0003
Wanepimedoside A
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CCC(C)(C)O)C5=CC=C(C=C5)OC)C)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDW0004
Wedelolactone
Canonical SMILES: COC1=CC(=C2C(=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)O)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDW0007
Wighteone
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDW0013
Wogonin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
Class: Flavonoids
Disease: AD, PD, Meningitis
PCNDIDX0001
Xambioona
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C3CC(=O)C4=C(O3)C5=C(C=C4)OC(C=C5)(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDX0003
Xanthogalenol
Canonical SMILES: CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)OC)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDX0004
Xanthohumol
Canonical SMILES: CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Meningitis
PCNDIDX0005
Xanthomicrol
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDX0010
Xanthoxyletin
Canonical SMILES: CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDY0001
Yakuchinone-A
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=CC=C2)O
Class: Diarylheptanoids
Disease: AD
PCNDIDY0003
Yangonin
Canonical SMILES: COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC
Class: Kavalactones
Disease: AD
PCNDIDY0005
Yinyanghuo A
Canonical SMILES: CC(=C)C(CC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDY0006
Yinyanghuo B
Canonical SMILES: CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)CC(C(=C)C)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDY0007
Yinyanghuo C
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)C
Class: Flavonoids
Disease: AD, PD
PCNDIDY0008
Yinyanghuo D
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDY0009
Yinyanghuo E
Canonical SMILES: CC1(C=CC2=C(O1)C(=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)C
Class: Flavonoids
Disease: AD, PD
PCNDIDZ0003
Zearalenone
Canonical SMILES: CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
Class: Macrolides and analogues
Disease: AD