Showing results for Organic oxygen compounds
Total number of hits: 275
Click on results for more details:
PCNDIDOT0033
(+)-2-Methyl-1-butanol
Canonical SMILES: CCC(C)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0098
(1R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
Canonical SMILES: C1C2C(O2)C(C=C1C(=O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0108
(1S,4R,10R)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one
Canonical SMILES: CC1(CC2C1CCC3(C(O3)CCC2=O)C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0114
(2R)-1-ethoxypropan-2-ol
Canonical SMILES: CCOCC(C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0125
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol hydrate
Canonical SMILES: COC1C(C(C(C(O1)CO)O)O)O.O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0127
(2R,4R)-(-)-Pentanediol
Canonical SMILES: CC(CC(C)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0130
(2R,5R)-2-[[(1R,2R,4R,5R,6S,10R)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES: C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: PD
PCNDIDOT0131
(2S)-2,3-dihydroxypropanoic acid
Canonical SMILES: C(C(C(=O)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0135
(2S)-but-3-en-2-ol
Canonical SMILES: CC(C=C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0145
(2S,3R,4S,5S,6R)-2-[(4-hydroxy-2,7-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES: CC1=CCC2=C(C=C(C(=C2C1)OC3C(C(C(C(O3)CO)O)O)O)C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0148
(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol
Canonical SMILES: COC1(C(C(C(O1)CO)O)O)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0150
(2s,4As,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid
Canonical SMILES: CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0151
(2S,4R,5S)-Muscarine
Canonical SMILES: CC1C(CC(O1)C[N+](C)(C)C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDOT0165
(3S)-hex-1-en-3-ol
Canonical SMILES: CCCC(C=C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0166
(3S)-hexan-3-ol
Canonical SMILES: CCCC(CC)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0175
(4R)-3,3,6-Trimethyl-1,5-heptadien-4-ol
Canonical SMILES: CC(=CC(C(C)(C)C=C)O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0176
(4R,5R)-(-)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane
Canonical SMILES: CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDOT0206
(E)-3-[3,5-dimethoxy-4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enal
Canonical SMILES: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CC=O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0209
(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one
Canonical SMILES: CC(C)C(=C)CCC(=CCCC(=O)C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0210
(E)-beta-Damascone
Canonical SMILES: CC=CC(=O)C1=C(CCCC1(C)C)C
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0216
(R)-(-)-2-Butanol
Canonical SMILES: CCC(C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0217
(R)-(-)-3-Methyl-2-butanol
Canonical SMILES: CC(C)C(C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0218
(R)-(-)-4-Penten-2-ol
Canonical SMILES: CC(CC=C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0227
(R)-butane-1,3-diol
Canonical SMILES: CC(CCO)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0240
(R,R)-2,3-butanediol
Canonical SMILES: CC(C(C)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0242
(S)-1-Pentene-3-ol
Canonical SMILES: CCC(C=C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0251
(S)-Acetoin
Canonical SMILES: CC(C(=O)C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0252
(S)-bupropion
Canonical SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0290
[(2S,3S,4S,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)OC4C(C(C(CO4)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)OC)OC
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0296
[(4S,7S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate
Canonical SMILES: CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: PD
PCNDIDOT0307
1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)propan-1-one
Canonical SMILES: CCC(=O)C1=C(C(=C(C(=C1O)C)OC)C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0308
1-(2-Hydroxy-3-methoxyphenyl)ethanone
Canonical SMILES: CC(=O)C1=C(C(=CC=C1)OC)O
Class: Organooxygen compounds
Disease: Huntington disease
PCNDIDOT0311
1-(3-Hydroxy-4-methoxyphenyl)ethanone
Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0318
1,1-Dimethoxy-2-methylpropane
Canonical SMILES: CC(C)C(OC)OC
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0319
1,1-Dimethoxyethane
Canonical SMILES: CC(OC)OC
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0324
1,2-Dibenzoylethane
Canonical SMILES: C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0329
1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde
Canonical SMILES: CC1=C(CC(CC1)(C)C=O)C
Class: Organic oxides
Disease: AD, Epilepsy
PCNDIDOT0342
1,4-Butanediol
Canonical SMILES: C(CCO)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0350
1,5-Anhydro-D-glucitol
Canonical SMILES: C1C(C(C(C(O1)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0370
1-[1-Hydroxy-8-methoxy-3-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0424
1-Hydroxybutan-2-one
Canonical SMILES: CCC(=O)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0434
1-Methyl-3-propan-2-yloxycyclohexane
Canonical SMILES: CC1CCCC(C1)OC(C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0443
1-Vinylcyclohexanol
Canonical SMILES: C=CC1(CCCCC1)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0446
2-(1,4-Dihydroxycyclohexyl)acetic acid
Canonical SMILES: C1CC(CCC1O)(CC(=O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0452
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
Canonical SMILES: CC#CC#CC=C1C=CC2(O1)CCCO2
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0472
2,2,2-Triethoxyethanol
Canonical SMILES: CCOC(CO)(OCC)OCC
Class: Organooxygen compounds
Disease: AD
PCNDIDOT0474
2,2,4-Trimethyl-1-pentanol
Canonical SMILES: CC(C)CC(C)(C)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0494
2,3-Butanedione
Canonical SMILES: CC(=O)C(=O)C
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDOT0499
2,3-Dimethoxy-2-methylbutane
Canonical SMILES: CC(C(C)(C)OC)OC
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0503
2,3-Dimethyl-3-pentanol
Canonical SMILES: CCC(C)(C(C)C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0512
2,4-Decadienal
Canonical SMILES: CCCCCC=CC=CC=O
Class: Organooxygen compounds
Disease: Meningitis
PCNDIDOT0514
2',4'-Dihydroxy-6'-methoxyacetophenone
Canonical SMILES: CC(=O)C1=C(C=C(C=C1OC)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0515
2',4'-Dihydroxyacetophenone
Canonical SMILES: CC(=O)C1=C(C=C(C=C1)O)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0518
2,4-Dimethyl-2,4-pentanediol
Canonical SMILES: CC(C)(CC(C)(C)O)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0519
2,4-Dimethyl-2-pentanol
Canonical SMILES: CC(C)CC(C)(C)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0521
2,4-Dimethyl-3-hexanone
Canonical SMILES: CCC(C)C(=O)C(C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0535
2,5-Dimethyl-1,5-hexadiene-3,4-diol
Canonical SMILES: CC(=C)C(C(C(=C)C)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0539
2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Canonical SMILES: CC1=CC(=O)CC(C1=O)(C)C
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0540
2,6,6-Trimethylcyclohexa-2,4-dienone
Canonical SMILES: CC1=CC=CC(C1=O)(C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0542
2',6'-Dihydroxyacetophenone
Canonical SMILES: CC(=O)C1=C(C=CC=C1O)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0544
2',6'-Dimethoxy-4'-hydroxyacetophenone
Canonical SMILES: CC(=O)C1=C(C=C(C=C1OC)O)OC
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0549
2,6-Dimethyl-5,7-octadien-2-ol
Canonical SMILES: CC(=CCCC(C)(C)O)C=C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0550
2,6-Dimethylcyclohexanol
Canonical SMILES: CC1CCCC(C1O)C
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0564
2-[(2R,6S)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
Canonical SMILES: CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O
Class: Organooxygen compounds
Disease: PD
PCNDIDOT0585
2-Ethoxy-1-propanol
Canonical SMILES: CCOC(C)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0599
2'-Hydroxy-5'-methylacetophenone
Canonical SMILES: CC1=CC(=C(C=C1)O)C(=O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0603
2'-Hydroxyacetophenone
Canonical SMILES: CC(=O)C1=CC=CC=C1O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0615
2-Isopropoxyethanol
Canonical SMILES: CC(C)OCCO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0635
2-Methyl-3-buten-1-ol
Canonical SMILES: CC(CO)C=C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0636
2-Methyl-3-buten-2-OL
Canonical SMILES: CC(C)(C=C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0637
2-Methyl-3-heptanone
Canonical SMILES: CCCCC(=O)C(C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0638
2-Methyl-3-pentanone
Canonical SMILES: CCC(=O)C(C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0639
2-Methyl-4-heptanone
Canonical SMILES: CCCC(=O)CC(C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0641
2-Methyl-6-hepten-3-ol
Canonical SMILES: CC(C)C(CCC=C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0643
2-Methylbut-2-en-1-ol
Canonical SMILES: CC=C(C)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0644
2-Methylenecyclopentanol
Canonical SMILES: C=C1CCCC1O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0655
2-Octen-4-ol
Canonical SMILES: CCCCC(C=CC)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0658
2-Pentanone
Canonical SMILES: CCCC(=O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0659
2-Pentanoylbenzoic acid
Canonical SMILES: CCCCC(=O)C1=CC=CC=C1C(=O)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0680
3-(3,4-Dihydroxyphenyl)acrylic acid 2-(beta-D-glucopyranosyloxy)benzyl ester
Canonical SMILES: C1=CC=C(C(=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0694
3,3,6-Trimethylhepta-1,5-dien-4-one
Canonical SMILES: CC(=CC(=O)C(C)(C)C=C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0698
3,3-Dimethylcyclohexanol
Canonical SMILES: CC1(CCCC(C1)O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0709
3,4-Dicaffeoylquinic acid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0712
3',4'-Dihydroxyacetophenone
Canonical SMILES: CC(=O)C1=CC(=C(C=C1)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0713
3,4-Dihydroxybenzaldehyde
Canonical SMILES: C1=CC(=C(C=C1C=O)O)O
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0720
3,4-Dimethyl-2-hexanone
Canonical SMILES: CCC(C)C(C)C(=O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0724
3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-4-one
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OC3C(C(=O)C(C(O3)CO)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0737
3,7-Dimethyl-1,7-octadien-3-ol
Canonical SMILES: CC(=C)CCCC(C)(C=C)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0750
3-Acetyl-4-hydroxybenzoic acid
Canonical SMILES: CC(=O)C1=C(C=CC(=C1)C(=O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0771
3-Hydroxybenzaldehyde
Canonical SMILES: C1=CC(=CC(=C1)O)C=O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0784
3-Methyl-1-(3-methylfuran-2-yl)butan-1-one
Canonical SMILES: CC1=C(OC=C1)C(=O)CC(C)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0785
3-Methyl-2-butanone
Canonical SMILES: CC(C)C(=O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0786
3-Methyl-2-buten-1-OL
Canonical SMILES: CC(=CCO)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0788
3-Methyl-3-buten-1-OL
Canonical SMILES: CC(=C)CCO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0789
3-Methyl-3-buten-2-one
Canonical SMILES: CC(=C)C(=O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0802
3-p-Coumaroylquinic acid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0803
3-Pentanol
Canonical SMILES: CCC(CC)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0813
4,4-Dimethyl-2-cyclopenten-1-one
Canonical SMILES: CC1(CC(=O)C=C1)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0835
4-Cinnamoylmussatioside
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)OC4C(C(C(CO4)O)O)O)OC(=O)C=CC5=CC=CC=C5
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0849
4-Heptanone
Canonical SMILES: CCCC(=O)CCC
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0852
4-Hydroxy-2-butanone
Canonical SMILES: CC(=O)CCO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0857
4-Hydroxy-4-methylcyclohexanone
Canonical SMILES: CC1(CCC(=O)CC1)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0866
4-Isopropyl-2-cyclohexenone
Canonical SMILES: CC(C)C1CCC(=O)C=C1
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0871
4-Methoxy-4-methyl-2-pentanone
Canonical SMILES: CC(=O)CC(C)(C)OC
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0872
4'-Methoxyacetophenone
Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC
Class: Organooxygen compounds
Disease: AD, PD, Epilepsy
PCNDIDOT0876
4-Methoxycyclohexanol
Canonical SMILES: COC1CCC(CC1)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0879
4-Methyl-2-hexanone
Canonical SMILES: CCC(C)CC(=O)C
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0948
5-Hydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl 3-hydroxy-2,6-dimethoxybenzoate
Canonical SMILES: COC1=C(C(=C(C=C1)O)OC)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0961
5-Hydroxymethylfurfural
Canonical SMILES: C1=C(OC(=C1)C=O)CO
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0966
5-O-Feruloylquinic acid
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O
Class: Organooxygen compounds
Disease: AD, Epilepsy
PCNDIDOT0992
6-Hepten-3-one, 4-methyl-
Canonical SMILES: CCC(=O)C(C)CC=C
Class: Organooxygen compounds
Disease: AD
PCNDIDOT1004
6-Methylheptan-3-ol
Canonical SMILES: CCC(CCC(C)C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDOT1029
7-Octen-4-OL
Canonical SMILES: CCCC(CCC=C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDOT1030
7-O-Methylaloeresin A
Canonical SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDA0008
Acetaldehyde
Canonical SMILES: CC=O
Class: Organooxygen compounds
Disease: PD, Meningitis, Myasthenia Gravis
PCNDIDA0011
Acetone cyanohydrin
Canonical SMILES: CC(C)(C#N)O
Class: Organooxygen compounds
Disease: AD
PCNDIDA0012
Acetovanillone
Canonical SMILES: CC(=O)C1=CC(=C(C=C1)O)OC
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDA0058
Allohimachalol
Canonical SMILES: CC1=CC2C(CCCC2(C(CC1)O)C)(C)C
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDA0089
alpha-D-fructofuranose
Canonical SMILES: C(C1C(C(C(O1)(CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDA0090
Alpha-d-xylopyranose
Canonical SMILES: C1C(C(C(C(O1)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDA0096
alpha-L-Rhamnose
Canonical SMILES: CC1C(C(C(C(O1)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDA0124
Amygdalin
Canonical SMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDA0131
Andrographoside
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)COC4C(C(C(C(O4)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDA0132
Androsin
Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
Class: Organooxygen compounds
Disease: AD
PCNDIDA0185
Arnebinol
Canonical SMILES: CC1=CCC2=C(C=CC(=C2)OCC(=CCC1)C)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDA0215
Asperuloside
Canonical SMILES: CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDB0005
Baldrinal
Canonical SMILES: CC(=O)OCC1=COC=C2C1=CC=C2C=O
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDB0006
Ballotetroside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)OC6C(C(C(CO6)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0010
Barbatoside A
Canonical SMILES: CC(CC(=O)O)(CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0011
Barbatoside B
Canonical SMILES: CC(CC(=O)O)(CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)OC
Class: Organooxygen compounds
Disease: AD
PCNDIDB0031
Benzoylacetone
Canonical SMILES: CC(=O)CC(=O)C1=CC=CC=C1
Class: Organooxygen compounds
Disease: AD
PCNDIDB0067
beta-Caryophyllene alcohol
Canonical SMILES: CC1(CC2C1CCC3(CCCC2(C3)O)C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDB0073
beta-D-Apiose
Canonical SMILES: C1C(C(C(O1)O)O)(CO)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0074
beta-D-Fructopyranose
Canonical SMILES: C1C(C(C(C(O1)(CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0075
beta-D-Galactopyranuronic acid
Canonical SMILES: C1(C(C(OC(C1O)O)C(=O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0076
beta-D-Glucosamine
Canonical SMILES: C(C1C(C(C(C(O1)O)N)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDB0081
beta-Hydroxypropiovanillone
Canonical SMILES: COC1=C(C=CC(=C1)C(=O)CCO)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDB0105
Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl-
Canonical SMILES: CC1(CC=C2CCCC2=CC(=O)C1)C
Class: Organooxygen compounds
Disease: AD
PCNDIDB0107
Biflorin
Canonical SMILES: CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0109
Bilobanol
Canonical SMILES: CC1=CCC(C(C1=O)O)(C2=CC(OC2=O)(CC(C)C)OC)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0110
Bilobanone
Canonical SMILES: CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDB0136
Bromelain
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(C(CO6)O)O)O)O)NC(=O)C)CO)O)NC(=O)C)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDB0152
Butyl fructofuranoside
Canonical SMILES: CCCCOC1(C(C(C(O1)CO)O)O)CO
Class: Organooxygen compounds
Disease: AD
PCNDIDB0160
Butyraldehyde
Canonical SMILES: CCCC=O
Class: Organooxygen compounds
Disease: Meningitis
PCNDIDB0162
Butyrophenone
Canonical SMILES: CCCC(=O)C1=CC=CC=C1
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDC0074
Catalpol
Canonical SMILES: C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, Huntington disease
PCNDIDC0079
Cathinone
Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N
Class: Organooxygen compounds
Disease: AD
PCNDIDC0113
Chlorogenic Acid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0169
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0190
cis-p-2-Menthen-1-ol
Canonical SMILES: CC(C)(C)C1CCC(C=C1)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0221
Colchicoside
Canonical SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDC0232
Coniferin
Canonical SMILES: COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0271
Crotonaldehyde
Canonical SMILES: CC=CC=O
Class: Organooxygen compounds
Disease: Meningitis, Myasthenia Gravis
PCNDIDC0285
Curculigoside
Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0286
Curculigoside B
Canonical SMILES: COC1=CC=CC(=C1C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0291
Curine
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Class: Organooxygen compounds
Disease: PD
PCNDIDC0301
Cycleanine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDC0306
Cyclobutanol, 1-ethyl-
Canonical SMILES: CCC1(CCC1)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0322
Cykazine
Canonical SMILES: C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-]
Class: Organooxygen compounds
Disease: AD
PCNDIDC0326
Cyperolone
Canonical SMILES: CC(=C)C1CCC2(CCC(C2(C1)C(=O)C)O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDD0001
D-(-)-QuinicAcid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0006
Damascenone
Canonical SMILES: CC=CC(=O)C1=C(C=CCC1(C)C)C
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDD0007
Dambonitol
Canonical SMILES: COC1C(C(C(C(C1O)OC)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0089
Diacetone Alcohol
Canonical SMILES: CC(=O)CC(C)(C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0105
Dicaffeoyl quinic acid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0110
Dictamnol
Canonical SMILES: CC1(CCC2C1C=CCCC2=C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0142
Dihydroxyacetone
Canonical SMILES: C(C(=O)CO)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0146
Dimethyl Ether
Canonical SMILES: COC
Class: Organooxygen compounds
Disease: AD
PCNDIDD0178
D-Pinitol
Canonical SMILES: COC1C(C(C(C(C1O)O)O)O)O
Class: Organooxygen compounds
Disease: PD
PCNDIDD0180
Drimenol
Canonical SMILES: CC1=CCC2C(CCCC2(C1CO)C)(C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDD0183
d-Tartaric acid
Canonical SMILES: C(C(C(=O)O)O)(C(=O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0184
D-Threitol
Canonical SMILES: C(C(C(CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDE0001
Echinacoside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD, Huntington disease
PCNDIDE0014
Eleutheroside C
Canonical SMILES: CCOC1C(C(C(C(O1)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDE0019
Embelin
Canonical SMILES: CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
Class: Organooxygen compounds
Disease: AD, PD, Meningitis
PCNDIDE0076
Ethyl 2-hydroxyisobutyrate
Canonical SMILES: CCOC(=O)C(C)(C)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDE0083
Ethyl alpha-D-fructofuranoside
Canonical SMILES: CCOC1(C(C(C(O1)CO)O)O)CO
Class: Organooxygen compounds
Disease: AD
PCNDIDE0092
Ethyl isopropyl ether
Canonical SMILES: CCOC(C)C
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDE0099
Ethylene Glycol
Canonical SMILES: C(CO)O
Class: Organooxygen compounds
Disease: AD
PCNDIDE0109
Eugenone
Canonical SMILES: CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC
Class: Organooxygen compounds
Disease: AD
PCNDIDF0015
Feralolide
Canonical SMILES: CC(=O)C1=C(C=C(C=C1O)O)CC2CC3=C(C(=CC(=C3)O)O)C(=O)O2
Class: Organooxygen compounds
Disease: AD
PCNDIDF0032
Flopropione
Canonical SMILES: CCC(=O)C1=C(C=C(C=C1O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDF0043
Forsythoside B
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDF0044
Forsythoside F
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(CO4)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDG0002
Galactoarabinan
Canonical SMILES: CC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)OC)O)O)OC)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDG0003
Galanal A
Canonical SMILES: CC1(CCCC2(C1CCC3(C2CC=C(CC3O)C=O)C=O)C)C
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDG0037
Gastrodin
Canonical SMILES: C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: PD, Epilepsy
PCNDIDG0038
Gaultherin
Canonical SMILES: COC(=O)C1=CC=CC=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDG0055
Gentiopicroside
Canonical SMILES: C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDG0089
Ginsenoyne E
Canonical SMILES: CCCCCCCC1C(O1)CC#CC#CC(=O)C=C
Class: Organooxygen compounds
Disease: AD
PCNDIDG0111
Glycerin
Canonical SMILES: C(C(CO)O)O
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDH0019
Heterodendrin
Canonical SMILES: CC(C)C(C#N)OC1C(C(C(C(O1)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDH0021
Hex-2-ulofuranosyl hexopyranoside
Canonical SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
Class: Organooxygen compounds
Disease: PD
PCNDIDH0029
Hexitol
Canonical SMILES: C(C(C(C(C(CO)O)O)O)O)O
Class: Organooxygen compounds
Disease: Meningitis
PCNDIDH0030
Hexose
Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)O
Class: Organooxygen compounds
Disease: Encephalitits, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDH0058
Hotrienol
Canonical SMILES: CC(=C)C=CCC(C)(C=C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDH0061
Humulone
Canonical SMILES: CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDH0066
Hydroxyacetone
Canonical SMILES: CC(=O)CO
Class: Organooxygen compounds
Disease: AD
PCNDIDH0068
Hydroxysafflor Yellow A
Canonical SMILES: C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD, Huntington disease
PCNDIDI0013
Indican
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDI0033
Irisquinone
Canonical SMILES: CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC
Class: Organooxygen compounds
Disease: AD
PCNDIDI0052
Isobutyrophenone
Canonical SMILES: CC(C)C(=O)C1=CC=CC=C1
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDI0075
Isogomphrenin I
Canonical SMILES: C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O)C(=O)O)C(=O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDI0083
Isokobusone
Canonical SMILES: CC1(CC2C1CCC(=C)C(CCC2=O)O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDI0107
Isopropyl Alcohol
Canonical SMILES: CC(C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDJ0004
Jasmone
Canonical SMILES: CCC=CCC1=C(CCC1=O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDL0002
l-(+)-Rhamnose monohydrate
Canonical SMILES: CC(C(C(C(C=O)O)O)O)O.O
Class: Organooxygen compounds
Disease: AD
PCNDIDL0029
Leiocarposide
Canonical SMILES: COC1=C(C=CC(=C1C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDL0069
Linamarin
Canonical SMILES: CC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDL0073
Lindleyin
Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDL0085
Lobelanine
Canonical SMILES: CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDL0086
Lobeline
Canonical SMILES: CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0005
Maesanin
Canonical SMILES: CCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDM0006
Magnesium bis(3-methyl-1-butanolate)
Canonical SMILES: CC(C)CC[O-].CC(C)CC[O-].[Mg+2]
Class: Organic oxides
Disease: AD
PCNDIDM0013
Malabaricone B
Canonical SMILES: C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC=C(C=C2)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0014
Malabaricone C
Canonical SMILES: C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C=C2)O)O)O
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDM0042
Melilotoside
Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0081
Methyl 2-pentanoylbenzoate
Canonical SMILES: CCCCC(=O)C1=CC=CC=C1C(=O)OC
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDM0097
Methyl chlorogenate
Canonical SMILES: COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0099
Methyl Ethyl Ketone
Canonical SMILES: CCC(=O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDM0117
Methyl vinyl ketone
Canonical SMILES: CC(=O)C=C
Class: Organooxygen compounds
Disease: AD
PCNDIDM0122
Methylglyoxal
Canonical SMILES: CC(=O)C=O
Class: Organooxygen compounds
Disease: PD
PCNDIDM0164
Muracein C
Canonical SMILES: CC(C=O)OC1C(C(OC(C1O)CO)O)NC(=O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDM0166
Musizin glucoside, 6-hydroxy
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0168
Mycosinol
Canonical SMILES: CC#CC#CC=C1C=CC2(O1)C(C=CO2)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0170
Myrcenol
Canonical SMILES: CC(C)(CCCC(=C)C=C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDN0028
n-Butyl-beta-d fructopyranoside
Canonical SMILES: CCCCOC1(C(C(C(CO1)O)O)O)CO
Class: Organooxygen compounds
Disease: AD
PCNDIDN0040
Neopentyl glycol
Canonical SMILES: CC(C)(CO)CO
Class: Organooxygen compounds
Disease: AD
PCNDIDN0090
Norlobelanine
Canonical SMILES: C1CC(NC(C1)CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDO0006
Oct-2-ynal
Canonical SMILES: CCCCCC#CC=O
Class: Organooxygen compounds
Disease: AD
PCNDIDO0052
Oxyphyllenone A
Canonical SMILES: CC12CCC(C(C1=CC(=O)CC2)(C)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDP0006
Paeonol
Canonical SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDP0007
Paeonolide
Canonical SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDP0008
Paeonoside
Canonical SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDP0026
Patchouli alcohol
Canonical SMILES: CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDP0049
Perilla ketone
Canonical SMILES: CC(C)CCC(=O)C1=COC=C1
Class: Organooxygen compounds
Disease: PD
PCNDIDP0082
Phenyl beta-D-glucopyranoside
Canonical SMILES: C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDP0106
Phytic acid
Canonical SMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDP0112
Picein
Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDP0168
Propane, 1-(1-methylethoxy)-
Canonical SMILES: CCCOC(C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDP0172
Propiophenone
Canonical SMILES: CCC(=O)C1=CC=CC=C1
Class: Organooxygen compounds
Disease: PD
PCNDIDP0185
Protosappanin A
Canonical SMILES: C1C(=O)COC2=C(C=CC(=C2)O)C3=CC(=C(C=C31)O)O
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDP0186
Protosappanin B
Canonical SMILES: C1C2=CC(=C(C=C2C3=C(C=C(C=C3)O)OCC1(CO)O)O)O
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDP0187
Prunasin
Canonical SMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDP0207
Pteroside B
Canonical SMILES: CC1CC2=C(C1=O)C(=C(C(=C2)C)CCOC3C(C(C(C(O3)CO)O)O)O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDR0001
R-1,2-Propanediol
Canonical SMILES: CC(CO)O
Class: Organooxygen compounds
Disease: AD
PCNDIDR0008
Rengyol
Canonical SMILES: C1CC(CCC1O)(CCO)O
Class: Organooxygen compounds
Disease: AD
PCNDIDR0009
Renifolin
Canonical SMILES: CC1=CC(=C(C=C1O)CC=C(C)CCC=C(C)CO)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: PD
PCNDIDS0003
Safranal
Canonical SMILES: CC1=C(C(CC=C1)(C)C)C=O
Class: Organic oxides
Disease: AD, PD
PCNDIDS0008
Salicin
Canonical SMILES: C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDS0010
Salicylaldehyde
Canonical SMILES: C1=CC=C(C(=C1)C=O)O
Class: Organooxygen compounds
Disease: Canavan
PCNDIDS0015
Salidroside
Canonical SMILES: C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD, PD, Meningitis
PCNDIDS0016
Salireposide
Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0097
Shikimic acid
Canonical SMILES: C1C(C(C(C=C1C(=O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0146
Spiroxabovolide
Canonical SMILES: CC1CCCC2(O1)C(=C(C(=O)O2)C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDS0150
Stachyose hydrate from Stachys tuberifera
Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O.O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0179
Sweroside
Canonical SMILES: C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0192
Syringin
Canonical SMILES: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDT0025
Terrestriamide
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)NCC(=O)C2=CC=C(C=C2)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0026
tert-Butanol
Canonical SMILES: CC(C)(C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0066
Thymoquinone
Canonical SMILES: CC1=CC(=O)C(=CC1=O)C(C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDT0078
Torachrysone 8-glucoside
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC
Class: Organooxygen compounds
Disease: AD
PCNDIDT0082
trans-1,2-Cyclopentanediol
Canonical SMILES: C1CC(C(C1)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0088
Tremulacin
Canonical SMILES: C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=CC=C4)O
Class: Organooxygen compounds
Disease: AD
PCNDIDT0095
Triethyl orthoformate
Canonical SMILES: CCOC(OCC)OCC
Class: Organooxygen compounds
Disease: AD
PCNDIDT0114
Tritriacontane-16,18-dione
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
Class: Organooxygen compounds
Disease: AD
PCNDIDT0124
Tubocurarine chloride
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC
Class: Organooxygen compounds
Disease: PD
PCNDIDV0003
Valerophenone
Canonical SMILES: CCCCC(=O)C1=CC=CC=C1
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDV0009
Vanillyl beta-D-glucopyranoside
Canonical SMILES: COC1=C(C=CC(=C1)COC2C(C(C(C(O2)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDV0014
Velleral
Canonical SMILES: CC1C=C(C(=CC2C1CC(C2)(C)C)C=O)C=O
Class: Organic oxides
Disease: AD
PCNDIDV0036
Vitetrifolin E
Canonical SMILES: CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDV0037
Vitetrifolin G
Canonical SMILES: CC1C(C=C2C(=CCCC2(C)C)C1(C)CCC(C)(C=C)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDW0005
Widdrol
Canonical SMILES: CC1(CCCC2(C1=CCC(CC2)(C)O)C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDX0011
Xanthoxylin
Canonical SMILES: CC(=O)C1=C(C=C(C=C1OC)OC)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDY0011
Yomogi alcohol
Canonical SMILES: CC(C)(C=C)C=CC(C)(C)O
Class: Organooxygen compounds
Disease: AD