Showing results for Organoheterocyclic compounds
Total number of hits: 491
Click on results for more details:
PCNDIDOT0005
(-)-Armepavine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Class: Isoquinolines and derivatives
Disease: PD
PCNDIDOT0022
(-)-Maalioxide
Canonical SMILES: CC1(C2CCCC3(C2C(O1)(CCC3)C)C)C
Class: Oxolanes
Disease: AD, Epilepsy
PCNDIDOT0038
(+)-Atractylenolide
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C
Class: Naphthofurans
Disease: PD
PCNDIDOT0052
(+)-Matatabiether
Canonical SMILES: CC1COC2(CCC1C2=C)C
Class: Oxepanes
Disease: AD, Epilepsy
PCNDIDOT0054
(+)-Nicotine
Canonical SMILES: CN1CCCC1C2=CN=CC=C2
Class: Pyridines and derivatives
Disease: PD
PCNDIDOT0061
(+)-trans-Rose oxide
Canonical SMILES: CC1CCOC(C1)C=C(C)C
Class: Oxanes
Disease: AD, Epilepsy
PCNDIDOT0087
(1R,2R,3S,8R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
Canonical SMILES: CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5
Class: Naphthopyrans
Disease: AD
PCNDIDOT0103
(1S,2S,7R,9R,12S,16S)-4-(furan-3-yl)-14-hydroxy-2-methyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione
Canonical SMILES: CC12CC(OC(=O)C1CC3C4C2CC(CC4C(=O)O3)O)C5=COC=C5
Class: Naphthopyrans
Disease: AD, Epilepsy
PCNDIDOT0106
(1S,3S,9S,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
Canonical SMILES: CCC1C2CCCCC3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C
Class: Lactones
Disease: AD, Epilepsy
PCNDIDOT0109
(1s,4r,6s)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Canonical SMILES: CC1(C2CCC(O1)(C(C2)O)C)C
Class: Oxanes
Disease: AD, Epilepsy
PCNDIDOT0124
(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxolan-3-ol
Canonical SMILES: C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)CO
Class: Imidazopyrimidines
Disease: AD, Epilepsy
PCNDIDOT0134
(2S)-4-[(E)-2-(2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Canonical SMILES: C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O
Class: Indoles and derivatives
Disease: PD
PCNDIDOT0149
(2S,4AR,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4a,5,6,6a,7,10,10a,10b-octahydro-1H-10,7-(epoxymethano)benzo[f]isochromene-4,12(2H)-dione
Canonical SMILES: CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5
Class: Naphthopyrans
Disease: PD, Epilepsy
PCNDIDOT0156
(3R)-2,2,3-trimethyloxirane
Canonical SMILES: CC1C(O1)(C)C
Class: Epoxides
Disease: AD, Epilepsy
PCNDIDOT0160
(3R,3aR,6S)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
Canonical SMILES: CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3
Class: Isobenzofurans
Disease: AD, PD, Epilepsy
PCNDIDOT0162
(3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol
Canonical SMILES: CC1(C(CCC(O1)(C)C=C)O)C
Class: Oxanes
Disease: AD, Epilepsy
PCNDIDOT0174
(4E,7E)-1,5,9,9-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
Canonical SMILES: CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C
Class: Epoxides
Disease: AD, PD, Epilepsy
PCNDIDOT0180
(5R)-5-benzylhydantoin
Canonical SMILES: C1=CC=C(C=C1)CC2C(=O)NC(=O)N2
Class: Azolidines
Disease: AD, Epilepsy
PCNDIDOT0181
(5R)-5-ethyloxolan-2-one
Canonical SMILES: CCC1CCC(=O)O1
Class: Lactones
Disease: AD, Epilepsy
PCNDIDOT0184
(5s)-5-(4-Hydroxybenzyl)imidazolidine-2,4-dione
Canonical SMILES: C1=CC(=CC=C1CC2C(=O)NC(=O)N2)O
Class: Azolidines
Disease: AD, Epilepsy
PCNDIDOT0185
(5S)-5-hexyloxolan-2-one
Canonical SMILES: CCCCCCC1CCC(=O)O1
Class: Lactones
Disease: AD, Epilepsy
PCNDIDOT0229
(R)-Coclaurine
Canonical SMILES: COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
Class: Isoquinolines and derivatives
Disease: PD
PCNDIDOT0230
(R)-Juziphine
Canonical SMILES: CN1CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O
Class: Isoquinolines and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0237
(R)-N-Methylcoclaurine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC
Class: Isoquinolines and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0239
(R)-Reticuline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Class: Isoquinolines and derivatives
Disease: PD
PCNDIDOT0241
(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
Canonical SMILES: C1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1
Class: Benzodiazepines
Disease: AD, Epilepsy
PCNDIDOT0248
(S)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
Canonical SMILES: CC1(COC(=O)C1O)C
Class: Lactones
Disease: AD, Epilepsy
PCNDIDOT0249
(S)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Canonical SMILES: CC1(CCCC2(C1=CC(=O)O2)C)C
Class: Benzofurans
Disease: AD, Epilepsy
PCNDIDOT0257
(S)-Laudanine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Class: Isoquinolines and derivatives
Disease: PD
PCNDIDOT0266
(Z)-3-butylidene-7-hydroxyphthalide
Canonical SMILES: CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1
Class: Isocoumarans
Disease: AD, Epilepsy
PCNDIDOT0281
[(1R,2S,3S,5R,8S,10S,11R,13R)-8-(furan-3-yl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] acetate
Canonical SMILES: CC(=O)OC1CC2C(=O)OC(CC2(C3C1C4CC(C3)OC4=O)C)C5=COC=C5
Class: Naphthopyrans
Disease: AD, Epilepsy
PCNDIDOT0294
[(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate
Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)OC(=O)C)(C)C)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0310
1(3H)-Isobenzofuranone, 3-butyl-4-hydroxy-
Canonical SMILES: CCCCC1C2=C(C=CC=C2O)C(=O)O1
Class: Benzofurans
Disease: AD, PD, Epilepsy
PCNDIDOT0321
1,2,3,7-Tetramethylindole
Canonical SMILES: CC1=C2C(=CC=C1)C(=C(N2C)C)C
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0328
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
Canonical SMILES: CC1(C2CCC(O1)(C=C2)C)C
Class: Pyrans
Disease: AD, PD, Epilepsy
PCNDIDOT0330
1,3,5,6-Tetrahydroxyxanthone
Canonical SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0331
1,3,6-Trihydroxy-2,5,7-trimethoxy-9H-xanthene-9-one
Canonical SMILES: COC1=C(C(=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0335
1,3-Benzodioxol-5-ol, methylcarbamate
Canonical SMILES: CNC(=O)OC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: AD, Epilepsy
PCNDIDOT0336
1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
Canonical SMILES: COC1=CC(=CC2=C1OCO2)C=O
Class: Benzodioxoles
Disease: AD, Epilepsy
PCNDIDOT0354
1,6-Dihydroxy-3,7-dimethoxyxanthone
Canonical SMILES: COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)O)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0366
1,8-Dihydroxy-2,3,4,5-tetramethoxyxanthone
Canonical SMILES: COC1=C2C(=C(C=C1)O)C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0367
1,8-Dihydroxy-2,6-dimethoxy-9H-xanthen-9-one
Canonical SMILES: COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0384
11H-Benzo[a]carbazole
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34
Class: Indoles and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0385
11-Hydroxynoracronycine
Canonical SMILES: CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0392
12-epi-Teucvin
Canonical SMILES: CC1CC2C3=C(CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)O2
Class: Lactones
Disease: AD, Epilepsy
PCNDIDOT0408
1-Butylidene-8-hydroxy-1H-2-benzopyran-4(3H)-one
Canonical SMILES: CCCC=C1C2=C(C=CC=C2O)C(=O)CO1
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0410
1-Deoxynojirimycin
Canonical SMILES: C1C(C(C(C(N1)CO)O)O)O
Class: Piperidines
Disease: AD, Epilepsy
PCNDIDOT0412
1H-1,2,3-Triazol-1-amine, N-[(4-methylphenyl)methylene]-4-phenyl-
Canonical SMILES: CC1=CC=C(C=C1)C=NN2C=C(N=N2)C3=CC=CC=C3
Class: Azoles
Disease: AD, Epilepsy
PCNDIDOT0415
1H-Indole, 3-[4-(1H-indol-3-yl)-2-thiazolyl]-
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0416
1H-Indole-3-acetonitrile, 1-methoxy-
Canonical SMILES: CON1C=C(C2=CC=CC=C21)CC#N
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0417
1H-Naphtho(2,3-c)pyran-1-one, 3,4-dihydro-9,10-dihydroxy-7-methoxy-3-methylene-
Canonical SMILES: COC1=CC(=C2C(=C1)C=C3CC(=C)OC(=O)C3=C2O)O
Class: Naphthopyrans
Disease: AD, Epilepsy
PCNDIDOT0419
1-Hydroxy-2,3,4,7-tetramethoxyxanthone
Canonical SMILES: COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0420
1-Hydroxy-2,3,5,7-tetramethoxyxanthone
Canonical SMILES: COC1=CC2=C(C(=C1)OC)OC3=CC(=C(C(=C3C2=O)O)OC)OC
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0422
1-Hydroxy-3,5,8-trimethoxyxanthen-9-one
Canonical SMILES: COC1=C2C(=C(C=C1)OC)OC3=CC(=CC(=C3C2=O)O)OC
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0426
1-Methoxyindole-3-carbaldehyde
Canonical SMILES: CON1C=C(C2=CC=CC=C21)C=O
Class: Indoles and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0429
1-methyl-2-[(E)-tridec-8-enyl]quinolin-4-one
Canonical SMILES: CCCCC=CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
Class: Quinolines and derivatives
Disease: AD
PCNDIDOT0430
1-Methyl-2-nonylquinolin-4(1H)-one
Canonical SMILES: CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0431
1-Methyl-2-pentadecyl-4(1H)-quinolone
Canonical SMILES: CCCCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0432
1-Methyl-2-piperidone
Canonical SMILES: CN1CCCCC1=O
Class: Piperidines
Disease: AD, Epilepsy
PCNDIDOT0433
1-Methyl-2-undecylquinolin-4(1H)-one
Canonical SMILES: CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0441
1-Phenyltetrazole-5-thiol
Canonical SMILES: C1=CC=C(C=C1)N2C(=S)N=NN2
Class: Azoles
Disease: AD, Epilepsy
PCNDIDOT0442
1-Pyrrolidino-1-cyclopentene
Canonical SMILES: C1CCN(C1)C2=CCCC2
Class: Pyrrolidines
Disease: AD, Epilepsy
PCNDIDOT0455
2-(2-Isopropylidenehydrazino)-6-methylpyrimidin-4-ol
Canonical SMILES: CC1=CC(=O)NC(=N1)NN=C(C)C
Class: Diazines
Disease: AD, Epilepsy
PCNDIDOT0463
2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)-
Canonical SMILES: CC1CCC2=C(C(=O)OC2C1)C
Class: Benzofurans
Disease: AD, Epilepsy
PCNDIDOT0464
2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile
Canonical SMILES: C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0476
2,2,6,6-Tetramethyl-4-piperidone
Canonical SMILES: CC1(CC(=O)CC(N1)(C)C)C
Class: Piperidines
Disease: AD, Epilepsy
PCNDIDOT0478
2,2-Dimethylchroman-6-carboxylic acid
Canonical SMILES: CC1(CCC2=C(O1)C=CC(=C2)C(=O)O)C
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0490
2,3,5,6-Tetramethylpyrazine
Canonical SMILES: CC1=C(N=C(C(=N1)C)C)C
Class: Diazines
Disease: AD, Epilepsy
PCNDIDOT0492
2,3,6,7-Tetrahydroxyxanthone
Canonical SMILES: C1=C2C(=CC(=C1O)O)OC3=CC(=C(C=C3C2=O)O)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0495
2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one
Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)O
Class: Benzopyrans
Disease: AD, PD, Epilepsy
PCNDIDOT0496
2,3-Dihydro-5-methylfuran
Canonical SMILES: CC1=CCCO1
Class: Dihydrofurans
Disease: AD, Epilepsy
PCNDIDOT0536
2,5-Dimethyl-1-propyl-1H-pyrrole
Canonical SMILES: CCCN1C(=CC=C1C)C
Class: Pyrroles
Disease: AD, Epilepsy
PCNDIDOT0541
2,6-Diethylpyridine
Canonical SMILES: CCC1=NC(=CC=C1)CC
Class: Pyridines and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0545
2,6-dimethoxy-9H-carbazole-3-carbaldehyde
Canonical SMILES: COC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)OC)C=O
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0553
2,6-Dimethylquinoline
Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2)C
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0557
2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-
Canonical SMILES: C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O
Class: Indoles and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0563
2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Canonical SMILES: CC1(CCC(O1)C(C)(C)O)C=C
Class: Tetrahydrofurans
Disease: AD, Epilepsy
PCNDIDOT0566
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
Canonical SMILES: CN1C(CCC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4
Class: Quinolines and derivatives
Disease: Epilepsy
PCNDIDOT0567
2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;hydron;dichloride
Canonical SMILES: [H+].CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-].[Cl-]
Class: Diazines
Disease: AD, Epilepsy
PCNDIDOT0572
2-Acridinecarboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0586
2-Ethyl-3,5-dimethylpyrazine
Canonical SMILES: CCC1=NC=C(N=C1C)C
Class: Diazines
Disease: PD, Epilepsy
PCNDIDOT0602
2-Hydroxy-7-methoxy-9H-carbazole-3-carbaldehyde
Canonical SMILES: COC1=CC2=C(C=C1)C3=C(N2)C=C(C(=C3)C=O)O
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0610
2'-Hydroxymollugin
Canonical SMILES: CC1(C(=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)O)C
Class: Naphthopyrans
Disease: AD, Epilepsy
PCNDIDOT0613
2-Isobutyl-3-methoxypyrazine
Canonical SMILES: CC(C)CC1=NC=CN=C1OC
Class: Diazines
Disease: AD, Epilepsy
PCNDIDOT0617
2-Isopropyl-3-methoxypyrazine
Canonical SMILES: CC(C)C1=NC=CN=C1OC
Class: Diazines
Disease: AD, Epilepsy
PCNDIDOT0648
2-Methyl-N-phenylmaleimide
Canonical SMILES: CC1=CC(=O)N(C1=O)C2=CC=CC=C2
Class: Pyrrolines
Disease: AD, PD, Epilepsy
PCNDIDOT0650
2-Methylquinolin-6-ol
Canonical SMILES: CC1=NC2=C(C=C1)C=C(C=C2)O
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0662
2-Phenyl-5H-indeno[1,2-b]pyridine
Canonical SMILES: C1C2=C(C3=CC=CC=C31)N=C(C=C2)C4=CC=CC=C4
Class: Pyridines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0667
2-Propenal, 3-(2-(3,4-dihydroxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-
Canonical SMILES: C1=CC2=C(C=C1C=CC=O)OC(C(O2)C3=CC(=C(C=C3)O)O)CO
Class: Benzodioxanes
Disease: AD, Epilepsy
PCNDIDOT0674
2-Vinyl-4H-1,3-dithiine
Canonical SMILES: C=CC1SCC=CS1
Class: Dithiins
Disease: AD, Epilepsy
PCNDIDOT0675
3-(2-Amino-4,6-dioxo-3,5-dihydropteridin-7-yl)-2-hydroxyprop-2-enoic acid
Canonical SMILES: C(=C(C(=O)O)O)C1=NC2=C(C(=O)NC(=N2)N)NC1=O
Class: Pteridines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0679
3-(2-Hydroxyphenyl)quinazolin-4(3H)-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=CC=C3O
Class: Diazanaphthalenes
Disease: AD, PD, Epilepsy
PCNDIDOT0683
3-(3-methylbut-2-enylidene)-1H-indol-2-one
Canonical SMILES: CC(=CC=C1C2=CC=CC=C2NC1=O)C
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0684
3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium
Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
Class: Diazines
Disease: AD
PCNDIDOT0703
3,4,5,6-Tetrahydroxyxanthone
Canonical SMILES: C1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0708
3,4,6,7-Tetrahydroxyxanthone
Canonical SMILES: C1=CC(=C(C2=C1C(=O)C3=CC(=C(C=C3O2)O)O)O)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0721
3,5,7-Trihydroxychromone
Canonical SMILES: C1=C(C=C2C(=C1O)C(=O)C(=CO2)O)O
Class: Benzopyrans
Disease: AD
PCNDIDOT0746
3-[[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
Canonical SMILES: C1CC2C(CC(O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1
Class: Diazanaphthalenes
Disease: AD, Epilepsy
PCNDIDOT0761
3-Ethyl-7-hydroxyphthalide
Canonical SMILES: CCC1C2=C(C(=CC=C2)O)C(=O)O1
Class: Benzofurans
Disease: AD, Epilepsy
PCNDIDOT0765
3H-Naphtho(1,8-bc)furan-3,8(4H)-dione, 5,5a,6,7-tetrahydro-7-methyl-5-(1-methylethyl)-, (5R,5aR,7S)-
Canonical SMILES: CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C
Class: Benzofurans
Disease: AD, Epilepsy
PCNDIDOT0777
3-methoxy-1H-quinazoline-2,4-dione
Canonical SMILES: CON1C(=O)C2=CC=CC=C2NC1=O
Class: Diazanaphthalenes
Disease: AD, Epilepsy
PCNDIDOT0791
3-Methyl-9H-carbazole
Canonical SMILES: CC1=CC2=C(C=C1)NC3=CC=CC=C32
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0809
4-(3-Methyl-2-butenyl)-1H-indole
Canonical SMILES: CC(=CCC1=C2C=CNC2=CC=C1)C
Class: Indoles and derivatives
Disease: AD, Epilepsy
PCNDIDOT0822
4,8-Dimethylquinoline
Canonical SMILES: CC1=C2C(=CC=C1)C(=CC=N2)C
Class: Quinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0847
4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-
Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)C=C(O2)CCC3=CC=CC=C3)OC
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0862
4-Hydroxynicotinic acid
Canonical SMILES: C1=CNC=C(C1=O)C(=O)O
Class: Pyridines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0880
4-Methyl-5,6,7,8-tetrahydroquinoline
Canonical SMILES: CC1=C2CCCCC2=NC=C1
Class: Quinolines and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0892
5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide
Canonical SMILES: CC(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: AD, PD, Epilepsy
PCNDIDOT0895
5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
Canonical SMILES: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
Class: Biotin and derivatives
Disease: AD, Epilepsy
PCNDIDOT0896
5-(3,4-Methylenedioxyphenyl)pentanoic acid
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CCCCC(=O)O
Class: Benzodioxoles
Disease: AD, Epilepsy
PCNDIDOT0899
5-(Hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
Canonical SMILES: CC1=NC=C(C(=C1O)COC)CO
Class: Pyridines and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0900
5-(Methoxymethyl)furan-2-carboxylic acid
Canonical SMILES: COCC1=CC=C(O1)C(=O)O
Class: Furans
Disease: AD, Epilepsy
PCNDIDOT0905
5,6,7,8-Tetrahydro-2,4-dimethylquinoline
Canonical SMILES: CC1=CC(=NC2=C1CCCC2)C
Class: Quinolines and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0916
5,7,8-Trihydroxy-2-methyl-4H-1-benzopyran-4-one
Canonical SMILES: CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0926
5,7-Dihydroxychromone
Canonical SMILES: C1=COC2=CC(=CC(=C2C1=O)O)O
Class: Benzopyrans
Disease: AD, Epilepsy
PCNDIDOT0930
5,7-Dimethylquinolin-6-ol
Canonical SMILES: CC1=CC2=C(C=CC=N2)C(=C1O)C
Class: Quinolines and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0932
5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone
Canonical SMILES: COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O
Class: Benzopyrans
Disease: AD, PD, Epilepsy
PCNDIDOT0938
5-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
Canonical SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)O
Class: Isoquinolines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0941
5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione
Canonical SMILES: COC1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O
Class: Diazines
Disease: AD, Epilepsy
PCNDIDOT0958
5-Hydroxyindole
Canonical SMILES: C1=CC2=C(C=CN2)C=C1O
Class: Indoles and derivatives
Disease: PD, Epilepsy
PCNDIDOT0959
5-hydroxy-L-tryptophan
Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N
Class: Indoles and derivatives
Disease: PD
PCNDIDOT0960
5-Hydroxymethyl-2-furoic acid, monoTMS
Canonical SMILES: C[Si](C)(C)OC(=O)C1=CC=C(O1)CO
Class: Furans
Disease: AD, Epilepsy
PCNDIDOT0962
5-Hydroxytryptophan
Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N
Class: Indoles and derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0967
5-O-Methylvisamminol
Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)OC
Class: Benzopyrans
Disease: AD, PD, Epilepsy
PCNDIDOT0971
6-(3-Oxoindolin-2-ylidene) indolo(2,1-b)quinazolin-12-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C3C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)N2
Class: Diazanaphthalenes
Disease: AD, Epilepsy
PCNDIDOT0972
6-(Hydroxymethyl)pyridin-3-ol
Canonical SMILES: C1=CC(=NC=C1O)CO
Class: Pyridines and derivatives
Disease: AD, Epilepsy
PCNDIDOT0980
6,7-Dimethoxy-2-(2-(4-methoxyphenyl)ethyl)chromone
Canonical SMILES: COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)OC)OC
Class: Benzopyrans
Disease: AD, PD
PCNDIDOT0981
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1)OC)OC
Class: Tetrahydroisoquinolines
Disease: AD, PD
PCNDIDOT0982
6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
Canonical SMILES: COC1=C(C=C2C(=C1)CCNC2=O)OC
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDOT0984
6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanol
Canonical SMILES: CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)CO)O
Class: Benzopyrans
Disease: Epilepsy
PCNDIDOT0985
6-Acetonyldihydronitidine
Canonical SMILES: CC(=O)CC1=CC2=C(C3=CC4=C(C=C13)OCO4)N(CC5=CC(=C(C=C52)OC)OC)C
Class: Quinolines and derivatives
Disease: AD
PCNDIDOT0987
6-Aminoisoquinoline
Canonical SMILES: C1=CC2=C(C=CN=C2)C=C1N
Class: Quinolines and derivatives
Disease: AD
PCNDIDOT0990
6-Deoxyjacareubin
Canonical SMILES: CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=CC=C4)O)C
Class: Benzopyrans
Disease: AD
PCNDIDOT0994
6-Hydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
Canonical SMILES: COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDOT0998
6-Hydroxykynurenic acid
Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C=C(N2)C(=O)O
Class: Quinolines and derivatives
Disease: AD
PCNDIDOT1001
6-Methoxy-2-(3-methoxyphenethyl)-4H-1-benzopyran-4-one
Canonical SMILES: COC1=CC2=C(C=C1)OC(=CC2=O)CCC3=CC(=CC=C3)OC
Class: Benzopyrans
Disease: AD
PCNDIDOT1003
6-Methyl-2-phenylquinoline
Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3
Class: Quinolines and derivatives
Disease: AD
PCNDIDOT1013
7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
Canonical SMILES: CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C
Class: Lactones
Disease: AD, PD
PCNDIDOT1020
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid
Canonical SMILES: CC1=CC(=O)C2=C(C=C(C=C2O1)O)C(=O)O
Class: Benzopyrans
Disease: AD
PCNDIDOT1061
9-Aminoacridine
Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDOT1063
9-Ethoxy-10-oxatricyclo[7.2.1.0(1,6)]dodecan-11-one
Canonical SMILES: CCOC12CCC3CCCCC3(C1)C(=O)O2
Class: Lactones
Disease: AD
PCNDIDOT1066
9H-Pyrido[3,4-B]indole
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=NC=C3
Class: Indoles and derivatives
Disease: AD
PCNDIDOT1067
9H-Xanthen-9-one, 1,3-dihydroxy-2-methoxy-
Canonical SMILES: COC1=C(C2=C(C=C1O)OC3=CC=CC=C3C2=O)O
Class: Benzopyrans
Disease: AD
PCNDIDOT1068
9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-
Canonical SMILES: COC1=CC=CC2=C1OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
Class: Benzopyrans
Disease: AD
PCNDIDOT1069
9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-
Canonical SMILES: COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
Class: Benzopyrans
Disease: AD
PCNDIDOT1070
9H-Xanthene-2-carboxylic acid
Canonical SMILES: C1C2=CC=CC=C2OC3=C1C=C(C=C3)C(=O)O
Class: Benzopyrans
Disease: AD
PCNDIDOT1079
9-Oxoxanthene-4-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)C(=O)O
Class: Benzopyrans
Disease: AD
PCNDIDA0024
Acridine
Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
Class: Quinolines and derivatives
Disease: AD
PCNDIDA0026
Actinidine
Canonical SMILES: CC1CCC2=C1C=NC=C2C
Class: Pyridines and derivatives
Disease: AD, PD
PCNDIDA0028
Adenine
Canonical SMILES: C1=NC2=NC=NC(=C2N1)N
Class: Imidazopyrimidines
Disease: AD
PCNDIDA0035
Agarotetrol
Canonical SMILES: C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O
Class: Pyrans
Disease: AD
PCNDIDA0047
Alchorneine
Canonical SMILES: CC(=C)C1CN2C=CC(N=C2N1OC)(C)C
Class: Azolidines
Disease: Epilepsy
PCNDIDA0053
Allantoin
Canonical SMILES: C1(C(=O)NC(=O)N1)NC(=O)N
Class: Azoles
Disease: AD, PD
PCNDIDA0056
Allixin
Canonical SMILES: CCCCCC1=C(C(=O)C(=C(O1)C)OC)O
Class: Pyrans
Disease: AD, PD
PCNDIDA0061
Allopurinol
Canonical SMILES: C1=NNC2=C1C(=O)NC=N2
Class: Pyrazolopyrimidines
Disease: AD
PCNDIDA0070
Aloesone
Canonical SMILES: CC1=CC(=CC2=C1C(=O)C=C(O2)CC(=O)C)O
Class: Benzopyrans
Disease: AD
PCNDIDA0097
alpha-Mangostin
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C
Class: Benzopyrans
Disease: AD
PCNDIDA0117
Americanol A
Canonical SMILES: C1=CC2=C(C=C1C=CCO)OC(C(O2)C3=CC(=C(C=C3)O)O)CO
Class: Benzodioxanes
Disease: AD
PCNDIDA0119
Ammiol
Canonical SMILES: COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)CO
Class: Benzopyrans
Disease: AD
PCNDIDA0127
Ancistrocladidine
Canonical SMILES: CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O)OC
Class: Isoquinolines and derivatives
Disease: Epilepsy
PCNDIDA0130
Andrographolide
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O
Class: Lactones
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDA0135
Anemonin
Canonical SMILES: C1CC2(C13C=CC(=O)O3)C=CC(=O)O2
Class: Dihydrofurans
Disease: PD, Epilepsy
PCNDIDA0142
Angustidine
Canonical SMILES: CC1=CC2=C(C=N1)C(=O)N3CCC4=C(C3=C2)NC5=CC=CC=C45
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDA0156
Apiole
Canonical SMILES: COC1=C2C(=C(C(=C1)CC=C)OC)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDA0166
Arborine
Canonical SMILES: CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3
Class: Diazanaphthalenes
Disease: Epilepsy
PCNDIDA0167
Arborinine
Canonical SMILES: CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O
Class: Quinolines and derivatives
Disease: AD
PCNDIDA0184
Armepavine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDA0192
Artabsin
Canonical SMILES: CC1C2CCC(C3=CCC(=C3C2OC1=O)C)(C)O
Class: Lactones
Disease: AD
PCNDIDA0197
Artepillin A
Canonical SMILES: CC(CO)C1CC2=C(O1)C(=CC(=C2)C=CC(=O)O)CC=C(C)C
Class: Coumarans
Disease: AD
PCNDIDA0204
Ascaridole
Canonical SMILES: CC(C)C12CCC(C=C1)(OO2)C
Class: Dioxanes
Disease: AD, PD
PCNDIDA0205
Ascorbic Acid
Canonical SMILES: C(C(C1C(=C(C(=O)O1)O)O)O)O
Class: Dihydrofurans
Disease: AD
PCNDIDA0223
Atractylenolide I
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C
Class: Naphthofurans
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDA0226
Atractylenolide-II
Canonical SMILES: CC1=C2C(CC3(CCCCC3C2=C)C)OC1=O
Class: Naphthofurans
Disease: AD
PCNDIDA0227
Atractylochromene
Canonical SMILES: CC1=CC(=CC2=C1OC(C=C2)(C)CCC=C(C)C)O
Class: Benzopyrans
Disease: AD
PCNDIDA0243
Avicine
Canonical SMILES: C[N+]1=CC2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OCO3
Class: Quinolines and derivatives
Disease: AD
PCNDIDB0007
Balsaminone A
Canonical SMILES: COC1=C(C2=CC=CC=C2C3=C1C4=C(O3)C(=O)C5=CC=CC=C5C4=O)O
Class: Naphthofurans
Disease: AD
PCNDIDB0012
Barbituric acid, 5-allyl-5-(1-methylbutyl)-, (S)-(-)-
Canonical SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
Class: Diazines
Disease: AD
PCNDIDB0025
Benzo[1,2-b:3,4-b']difuran-2(3H)-one, 3abeta,4,5,8bbeta-tetrahydro-4alpha,8-dimethyl-3-methylene-4-vinyl-
Canonical SMILES: CC1=COC2=C1C3C(C(=C)C(=O)O3)C(C2)(C)C=C
Class: Benzofurans
Disease: AD
PCNDIDB0033
Benzoyleneurea
Canonical SMILES: C1=CC=C2C(=C1)C(=O)NC(=O)N2
Class: Diazanaphthalenes
Disease: AD
PCNDIDB0116
Bisdehydroneostemonine
Canonical SMILES: CC1C2C(CCCN3C2=CC=C3)OC1=C4C(=C(C(=O)O4)C)OC
Class: Pyrroloazepines
Disease: AD, PD
PCNDIDB0117
Bisdehydroprotostemonine
Canonical SMILES: CC1CC(OC1=O)C2=CC=C3N2CCCC4C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C
Class: Pyrroloazepines
Disease: AD
PCNDIDB0120
Bismurrayafoline E
Canonical SMILES: CC1=CC2=C(C(=C1O)C3=C(C(=CC4=C3NC5=C4C=CC(=C5CC=C(C)CCC=C(C)C)OC)C)O)NC6=C2C=CC(=C6CC=C(C)CCC=C(C)C)OC
Class: Indoles and derivatives
Disease: AD
PCNDIDB0131
Boschniakine
Canonical SMILES: CC1CCC2=C1C=NC=C2C=O
Class: Pyridines and derivatives
Disease: AD, PD
PCNDIDB0132
Bowdichione
Canonical SMILES: COC1=CC(=O)C(=CC1=O)C2=COC3=C(C2=O)C=CC(=C3)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDB0134
Brazilin
Canonical SMILES: C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDB0144
Bufotenine
Canonical SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)O
Class: Indoles and derivatives
Disease: AD
PCNDIDB0158
Butylidenephthalide
Canonical SMILES: CCCC=C1C2=CC=CC=C2C(=O)O1
Class: Isocoumarans
Disease: AD
PCNDIDB0159
Butylphthalide
Canonical SMILES: CCCCC1C2=CC=CC=C2C(=O)O1
Class: Benzofurans
Disease: AD, PD
PCNDIDC0005
Cafestol
Canonical SMILES: CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
Class: Naphthofurans
Disease: AD
PCNDIDC0007
Caffeine
Canonical SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Class: Imidazopyrimidines
Disease: AD, PD
PCNDIDC0014
Calodendrolide
Canonical SMILES: CC1=CCCC2(C13C(O3)C(=O)OC2C4=COC=C4)C
Class: Dioxepanes
Disease: AD
PCNDIDC0024
Canbisol
Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)C)O)O
Class: Benzopyrans
Disease: AD
PCNDIDC0026
Cannabichromene
Canonical SMILES: CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDC0030
Cannabinol
Canonical SMILES: CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O
Class: Benzopyrans
Disease: PD, Epilepsy
PCNDIDC0032
Cantharidin
Canonical SMILES: CC12C3CCC(C1(C(=O)OC2=O)C)O3
Class: Furofurans
Disease: AD, PD
PCNDIDC0057
Carpacin
Canonical SMILES: CC=CC1=CC2=C(C=C1OC)OCO2
Class: Benzodioxoles
Disease: Epilepsy
PCNDIDC0069
Cassiaside
Canonical SMILES: CC1=CC(=O)C2=C(O1)C=C3C=CC=C(C3=C2O)OC4C(C(C(C(O4)CO)O)O)O
Class: Naphthopyrans
Disease: AD
PCNDIDC0105
Chelidonic acid
Canonical SMILES: C1=C(OC(=CC1=O)C(=O)O)C(=O)O
Class: Pyrans
Disease: AD
PCNDIDC0110
Cherianoine
Canonical SMILES: CN1C=CC2=CC(=C(C(=C2C1=O)OC)O)OC
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDC0139
CID 11953926
Canonical SMILES: CC=C1C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDC0145
CID 182341
Canonical SMILES: CC12C(C3(C1C2(C(=CC3=O)OC)OC)CC=C)C4=CC5=C(C=C4)OCO5
Class: Benzodioxoles
Disease: AD
PCNDIDC0155
CID 5748352
Canonical SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
Class: Tetrapyrroles and derivatives
Disease: AD
PCNDIDC0157
CID 6977891
Canonical SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Class: Indolizidines
Disease: AD
PCNDIDC0179
cis-2,5-Bishydroxymethyl-tetrahydrofuran
Canonical SMILES: C1CC(OC1CO)CO
Class: Oxolanes
Disease: AD
PCNDIDC0201
Clausenamide
Canonical SMILES: CN1C(C(C(C1=O)O)C2=CC=CC=C2)C(C3=CC=CC=C3)O
Class: Pyrrolidines
Disease: AD
PCNDIDC0208
Cnidilide
Canonical SMILES: CCCCC1C2CCC=CC2C(=O)O1
Class: Isobenzofurans
Disease: AD, PD
PCNDIDC0210
Cnidimol B
Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(CO)O)O
Class: Benzopyrans
Disease: AD
PCNDIDC0213
Coclaurine
Canonical SMILES: COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDC0215
Codonopsine
Canonical SMILES: CC1C(C(C(N1C)C2=CC(=C(C=C2)OC)OC)O)O
Class: Pyrrolidines
Disease: AD, PD
PCNDIDC0219
Coixol
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)O2
Class: Benzoxazoles
Disease: AD, PD
PCNDIDC0242
Coriandrone A
Canonical SMILES: CC1CC2=CC(=C3CC(OC3=C2C(=O)O1)C(C)(C)O)OC
Class: Benzopyrans
Disease: AD, PD
PCNDIDC0250
Corydamine
Canonical SMILES: CNCCC1=CC2=C(C=C1C3=NC=C4C(=C3)C=CC5=C4OCO5)OCO2
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDC0255
Corynoxeine
Canonical SMILES: COC=C(C1CC2C3(CCN2CC1C=C)C4=CC=CC=C4NC3=O)C(=O)OC
Class: Indolizidines
Disease: AD
PCNDIDC0256
Corypalline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1)O)OC
Class: Tetrahydroisoquinolines
Disease: AD, PD
PCNDIDC0262
Coumaperine
Canonical SMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC=C(C=C2)O
Class: Piperidines
Disease: AD, PD
PCNDIDC0273
Croweacin
Canonical SMILES: COC1=C(C=CC2=C1OCO2)CC=C
Class: Benzodioxoles
Disease: AD, PD
PCNDIDC0274
Cryptolepine
Canonical SMILES: CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3
Class: Quinolines and derivatives
Disease: AD
PCNDIDC0293
Currayanine
Canonical SMILES: CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(=C)C)C)NC5=CC=CC=C52
Class: Indoles and derivatives
Disease: AD
PCNDIDC0295
Cusparine
Canonical SMILES: COC1=CC(=NC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4
Class: Quinolines and derivatives
Disease: Epilepsy
PCNDIDD0008
Dan shen spiroketal lactone
Canonical SMILES: CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1
Class: Naphthofurans
Disease: AD, Epilepsy
PCNDIDD0017
Dauricine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDD0018
Dauricoline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)O)OC)O)OC)O
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDD0020
Daurisoline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)OC)OC
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDD0024
Decussatin
Canonical SMILES: COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)OC
Class: Benzopyrans
Disease: AD
PCNDIDD0025
Decussine
Canonical SMILES: CC1C2=C(C=CN=C2)C=C3C4=C(CCN3C)C5=CC=CC=C5N14
Class: Indoles and derivatives
Disease: AD
PCNDIDD0038
Dehydrocycloguanandin
Canonical SMILES: CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)C
Class: Benzopyrans
Disease: AD
PCNDIDD0042
Dehydroleucodine
Canonical SMILES: CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C
Class: Lactones
Disease: AD
PCNDIDD0046
Dehydropipernonaline
Canonical SMILES: C1CCN(CC1)C(=O)C=CC=CCCC=CC2=CC3=C(C=C2)OCO3
Class: Benzodioxoles
Disease: AD, PD
PCNDIDD0050
Dehydroxylinalool oxide A
Canonical SMILES: CC1(CCCC(O1)(C)C=C)C
Class: Oxanes
Disease: AD
PCNDIDD0053
delta(9)-Tetrahydrocannabinolic acid
Canonical SMILES: CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)O)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDD0055
DELTA8-Tetrahydrocannabinol
Canonical SMILES: CCCCCC1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)C)O
Class: Benzopyrans
Disease: Epilepsy
PCNDIDD0058
delta-Tetradecalactone
Canonical SMILES: CCCCCCCCCC1CCCC(=O)O1
Class: Lactones
Disease: AD
PCNDIDD0069
Denudanolide A
Canonical SMILES: CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC4=C(C=C3)OCO4
Class: Benzodioxoles
Disease: AD
PCNDIDD0079
Deoxynupharidine
Canonical SMILES: CC1CCC2C(CCC(N2C1)C3=COC=C3)C
Class: Quinolizines
Disease: AD
PCNDIDD0080
Deoxypeganine
Canonical SMILES: C1CC2=NC3=CC=CC=C3CN2C1
Class: Diazanaphthalenes
Disease: AD
PCNDIDD0083
Deoxyvasicinone
Canonical SMILES: C1CC2=NC3=CC=CC=C3C(=O)N2C1
Class: Diazanaphthalenes
Disease: AD
PCNDIDD0097
Diazepam
Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
Class: Benzodiazepines
Disease: AD
PCNDIDD0099
Dibenzothiophene
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2
Class: Benzothiophenes
Disease: PD
PCNDIDD0109
Dictamnine
Canonical SMILES: COC1=C2C=COC2=NC3=CC=CC=C31
Class: Quinolines and derivatives
Disease: AD
PCNDIDD0128
Dihydrodioscorine
Canonical SMILES: CC1CC(=O)OC2(C1)CC3CCC2CN3C
Class: Azaspirodecane derivatives
Disease: AD
PCNDIDD0135
Dihydromollugin
Canonical SMILES: CC1(CCC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
Class: Naphthopyrans
Disease: AD
PCNDIDD0138
Dihydronitidine
Canonical SMILES: CN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDD0144
Dillapiol
Canonical SMILES: COC1=C(C2=C(C=C1CC=C)OCO2)OC
Class: Benzodioxoles
Disease: PD, Epilepsy
PCNDIDD0163
Divaricatacid
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)C(=O)O)O
Class: Benzopyrans
Disease: AD
PCNDIDD0164
Divaricatol
Canonical SMILES: CC(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C
Class: Benzopyrans
Disease: AD, PD
PCNDIDD0172
Dodecahydropyrido[1,2-b]isoquinolin-6-one
Canonical SMILES: C1CCC2C(C1)CC3CCCCN3C2=O
Class: Quinolizidines
Disease: AD
PCNDIDD0181
Dronabinol
Canonical SMILES: CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDE0005
Edulinine
Canonical SMILES: CC(C)(C(CC1=C(C2=CC=CC=C2N(C1=O)C)OC)O)O
Class: Quinolines and derivatives
Disease: AD
PCNDIDE0007
Egenine
Canonical SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C(O4)O)C6=C(C=C5)OCO6)OCO3
Class: Tetrahydroisoquinolines
Disease: AD
PCNDIDE0010
Elaeocarpine
Canonical SMILES: CC1=C2C(=CC=C1)OC3CCN4CCCC4C3C2=O
Class: Benzopyrans
Disease: AD
PCNDIDE0017
Ellipticine
Canonical SMILES: CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C
Class: Indoles and derivatives
Disease: AD, Huntington disease, Meningitis
PCNDIDE0023
Encecalin
Canonical SMILES: CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC
Class: Benzopyrans
Disease: AD, PD
PCNDIDE0025
Ensaculin
Canonical SMILES: CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC=C4OC)OC)C
Class: Diazinanes
Disease: AD
PCNDIDE0029
Ephedroxane
Canonical SMILES: CC1C(OC(=O)N1C)C2=CC=CC=C2
Class: Azolidines
Disease: AD, PD
PCNDIDE0034
Epidanshenspiroketallactone
Canonical SMILES: CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1
Class: Naphthofurans
Disease: PD
PCNDIDE0046
Eriobofuran
Canonical SMILES: COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O
Class: Benzofurans
Disease: AD
PCNDIDE0061
Erythrocentaurin
Canonical SMILES: C1COC(=O)C2=CC=CC(=C21)C=O
Class: Benzopyrans
Disease: AD
PCNDIDE0067
Eseramine
Canonical SMILES: CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDE0068
Eseridine
Canonical SMILES: CC12CCN(OC1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
Class: Indoles and derivatives
Disease: AD
PCNDIDE0074
Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
Canonical SMILES: CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC
Class: Benzopyrans
Disease: AD, PD
PCNDIDE0077
Ethyl 2-hydroxyquinoline-4-carboxylate
Canonical SMILES: CCOC(=O)C1=CC(=O)NC2=CC=CC=C21
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDE0102
Eucalyptol
Canonical SMILES: CC1(C2CCC(O1)(CC2)C)C
Class: Oxanes
Disease: AD, Meningitis, Myasthenia Gravis
PCNDIDE0104
Euchrestine B
Canonical SMILES: CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3CC=C(C)CCC=C(C)C)OC
Class: Indoles and derivatives
Disease: AD
PCNDIDE0107
Eugenin
Canonical SMILES: CC1=CC(=O)C2=C(C=C(C=C2O1)OC)O
Class: Benzopyrans
Disease: AD
PCNDIDE0121
Euxanthone
Canonical SMILES: C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDE0122
Evocarpine
Canonical SMILES: CCCCC=CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
Class: Quinolines and derivatives
Disease: PD
PCNDIDE0124
Evodiamine
Canonical SMILES: CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Class: Indoles and derivatives
Disease: PD, Epilepsy
PCNDIDE0126
Evoxine
Canonical SMILES: CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O
Class: Quinolines and derivatives
Disease: Epilepsy
PCNDIDF0001
Fagaramide
Canonical SMILES: CC(C)CNC(=O)C=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: AD
PCNDIDF0049
Fraxinellone
Canonical SMILES: CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3
Class: Isobenzofurans
Disease: AD, PD
PCNDIDF0057
Furaneol
Canonical SMILES: CC1C(=O)C(=C(O1)C)O
Class: Dihydrofurans
Disease: AD
PCNDIDG0017
gamma-Butyrolactone
Canonical SMILES: C1CC(=O)OC1
Class: Lactones
Disease: AD
PCNDIDG0019
gamma-Fagarine
Canonical SMILES: COC1=CC=CC2=C1N=C3C(=C2OC)C=CO3
Class: Quinolines and derivatives
Disease: PD, Epilepsy
PCNDIDG0021
Gamma-nonalactone
Canonical SMILES: CCCCCC1CCC(=O)O1
Class: Lactones
Disease: AD
PCNDIDG0029
Gamma-undecalactone
Canonical SMILES: CCCCCCCC1CCC(=O)O1
Class: Lactones
Disease: AD
PCNDIDG0035
garcinone B
Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C=C4)(C)C)O)C
Class: Benzopyrans
Disease: AD
PCNDIDG0049
Gentiacaulein
Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDG0050
Gentianaine
Canonical SMILES: C1COC(=O)C(=C1O)C=N
Class: Pyrans
Disease: AD
PCNDIDG0051
Gentianamine
Canonical SMILES: C=CC1=CN=CC2=C1C(COC2=O)CO
Class: Pyranopyridines
Disease: AD
PCNDIDG0052
Gentianidine
Canonical SMILES: CC1=CC2=C(C=N1)C(=O)OCC2
Class: Pyranopyridines
Disease: AD, PD
PCNDIDG0053
Gentianine
Canonical SMILES: C=CC1=CN=CC2=C1CCOC2=O
Class: Pyranopyridines
Disease: AD, PD
PCNDIDG0054
Gentiatibetine
Canonical SMILES: CC1=NC=CC2=C1C(OCC2)O
Class: Pyranopyridines
Disease: AD
PCNDIDG0056
Gentisein
Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O
Class: Benzopyrans
Disease: AD
PCNDIDG0057
Gentisin
Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O
Class: Benzopyrans
Disease: AD
PCNDIDG0090
Girinimbine
Canonical SMILES: CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42
Class: Indoles and derivatives
Disease: AD
PCNDIDG0101
Globeflowery acid
Canonical SMILES: CC1(CCC2=C(O1)C(=CC(=C2)C(=O)O)OC)C
Class: Benzopyrans
Disease: AD, PD
PCNDIDG0115
Glycosminine
Canonical SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2
Class: Diazanaphthalenes
Disease: AD
PCNDIDG0141
Gramine
Canonical SMILES: CN(C)CC1=CNC2=CC=CC=C21
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDG0144
Graveolinine
Canonical SMILES: COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4
Class: Quinolines and derivatives
Disease: Epilepsy
PCNDIDG0153
Guineensine
Canonical SMILES: CC(C)CNC(=O)C=CC=CCCCCCCC=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: Epilepsy
PCNDIDH0004
Haplopine
Canonical SMILES: COC1=C2C=COC2=NC3=C1C=CC(=C3OC)O
Class: Quinolines and derivatives
Disease: AD
PCNDIDH0031
Higenamine
Canonical SMILES: C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDH0034
Himbacine
Canonical SMILES: CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C
Class: Naphthofurans
Disease: Epilepsy
PCNDIDH0035
Himbadine
Canonical SMILES: CC1CCC2C(N1C)CC3CC2(C4=CC(=O)C5CCCCC5C34)O
Class: Quinolidines
Disease: Epilepsy
PCNDIDH0036
Himbeline
Canonical SMILES: CC1CCCC(N1)C=CC2C3CCCCC3CC4C2C(OC4=O)C
Class: Naphthofurans
Disease: Epilepsy
PCNDIDH0038
Himgaline
Canonical SMILES: CC1CCC2C3N1C45C2(CC(C3)C4C6CCCCC6C(C5)O)O
Class: Quinolizidines
Disease: Epilepsy
PCNDIDH0039
Himgravine
Canonical SMILES: CC1CCCC(N1C)C=CC2C3CCCCC3C=C4C2C(OC4=O)C
Class: Naphthofurans
Disease: Epilepsy
PCNDIDH0048
Hodgkinsine
Canonical SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C78CCN(C7NC9=CC=CC=C89)C
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDH0060
Huajiaosimuline
Canonical SMILES: CC(C)C(=O)CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C
Class: Quinolines and derivatives
Disease: AD
PCNDIDH0062
huperzine-B
Canonical SMILES: CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4
Class: Phenanthrolines
Disease: AD
PCNDIDH0067
Hydroxyevodiamine
Canonical SMILES: CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=C(N3)C=CC(=C5)O
Class: Indoles and derivatives
Disease: AD
PCNDIDH0069
Hydroxysanguinarine
Canonical SMILES: CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C6=C(C=C5)OCO6
Class: Quinolines and derivatives
Disease: AD
PCNDIDI0004
Icacine
Canonical SMILES: CC12CCC3C45CCC(C6(C4C(C7C3(C1OCC2N(C)C)O7)OC6=O)C)(OC5)O
Class: Naphthopyrans
Disease: Epilepsy
PCNDIDI0014
Indigo
Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0015
Indirubin
Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O
Class: Indoles and derivatives
Disease: AD, Myasthenia Gravis
PCNDIDI0016
Indole
Canonical SMILES: C1=CC=C2C(=C1)C=CN2
Class: Indoles and derivatives
Disease: Meningitis
PCNDIDI0017
Indole-3-acetic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0018
Indole-3-carbinol
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CO
Class: Indoles and derivatives
Disease: AD
PCNDIDI0019
Indole-3-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0020
Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)-
Canonical SMILES: CC1C2=C(CC3[N+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDI0021
Indolo[2,1-b]quinazoline-6,12-dione
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2
Class: Diazanaphthalenes
Disease: AD, PD
PCNDIDI0038
Isatin
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDI0066
Isoevodiamine
Canonical SMILES: CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Class: Indoles and derivatives
Disease: AD, PD, Huntington disease
PCNDIDI0072
Isofraxinellone
Canonical SMILES: CC1=CCCC2(C1C(=O)OC2C3=COC=C3)C
Class: Isobenzofurans
Disease: AD
PCNDIDI0078
Isoguvacine
Canonical SMILES: C1CNCC=C1C(=O)O
Class: Pyridines and derivatives
Disease: Epilepsy
PCNDIDI0081
Isoindigotin
Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0091
Isomangiferin
Canonical SMILES: C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
Class: Benzopyrans
Disease: AD
PCNDIDI0093
Isomyristicin
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDI0110
Isopteropodine
Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Class: Indolizidines
Disease: PD, Epilepsy
PCNDIDI0118
Isorhyncophylline
Canonical SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Class: Indolizidines
Disease: AD, PD
PCNDIDI0120
Isosafrole
Canonical SMILES: CC=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDI0144
Izmirine
Canonical SMILES: CC1OC2=C(O1)C3=C(C=CC4CC(=O)C=C(C4C(=CNC3)O)OC)C=C2
Class: Benzodioxoles
Disease: AD
PCNDIDJ0007
Jioglutin D
Canonical SMILES: COC1CC2C(C(O1)OC)C3(C(C2O)O3)CO
Class: Oxanes
Disease: AD
PCNDIDK0002
KadsulignanA
Canonical SMILES: CC1CC2=CC(=O)C(=C(C23C4=C(C(=C(C=C4C(C1C)O3)OC)OC)OC)OC)OC
Class: Isocoumarans
Disease: AD
PCNDIDK0007
Kadsurin A
Canonical SMILES: CC1C(OC2(C1(C=C(C(=O)C2)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4
Class: Benzodioxoles
Disease: AD
PCNDIDK0008
Kadsurin B
Canonical SMILES: CC1C(OC2(C1(C=C(C(C2)O)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4
Class: Benzodioxoles
Disease: AD, PD
PCNDIDK0026
Kessyl glycol
Canonical SMILES: CC1CC(C2C1CC3C(CC2(OC3(C)C)C)O)O
Class: Oxepanes
Disease: Epilepsy
PCNDIDK0027
Khellin
Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC
Class: Benzopyrans
Disease: AD
PCNDIDK0028
Khellol
Canonical SMILES: COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)CO
Class: Benzopyrans
Disease: AD
PCNDIDK0044
Kynurenic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDL0008
Lactucin
Canonical SMILES: CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO
Class: Lactones
Disease: AD
PCNDIDL0017
Laudanine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDL0018
Laudanosoline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDL0027
Ledebouriellol
Canonical SMILES: CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C
Class: Benzopyrans
Disease: AD, PD
PCNDIDL0058
Ligustilide
Canonical SMILES: CCCC=C1C2=C(C=CCC2)C(=O)O1
Class: Isobenzofurans
Disease: AD, PD
PCNDIDL0059
Lilac alcohol
Canonical SMILES: CC(CO)C1CCC(O1)(C)C=C
Class: Tetrahydrofurans
Disease: AD
PCNDIDL0062
Limonene oxide
Canonical SMILES: CC(=C)C1CCC2(C(C1)O2)C
Class: Oxepanes
Disease: AD
PCNDIDL0065
Linalool oxide acetate (pyranoid)
Canonical SMILES: CC(=O)OC1CCC(OC1(C)C)(C)C=C
Class: Oxanes
Disease: AD, PD
PCNDIDL0070
Lindenene
Canonical SMILES: CC1=COC2=C1CC3C(=C)C4CC4C3(C2)C
Class: Naphthofurans
Disease: AD, PD
PCNDIDL0071
Linderene
Canonical SMILES: CC1=COC2=C1C(C3C(=C)C4CC4C3(C2)C)O
Class: Naphthofurans
Disease: AD, PD
PCNDIDL0080
Litcubine
Canonical SMILES: C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)O)OC
Class: Tetrahydroisoquinolines
Disease: AD
PCNDIDL0089
Loliolide
Canonical SMILES: CC1(CC(CC2(C1=CC(=O)O2)C)O)C
Class: Benzofurans
Disease: AD
PCNDIDL0091
Lopac-D-7814
Canonical SMILES: CC(CO)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O
Class: Quinolines and derivatives
Disease: AD
PCNDIDL0092
Lotusine
Canonical SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)O)C
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDL0096
L-tryptophanium
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)[NH3+]
Class: Indoles and derivatives
Disease: PD
PCNDIDL0098
Lunasine
Canonical SMILES: CC(C)C1CC2=C(C3=C(C(=CC=C3)OC)[N+](=C2O1)C)OC
Class: Quinolines and derivatives
Disease: Epilepsy
PCNDIDM0007
Magnocurarine
Canonical SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)C
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDM0011
Mahanimbine
Canonical SMILES: CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42
Class: Indoles and derivatives
Disease: AD
PCNDIDM0012
Mahanine
Canonical SMILES: CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O
Class: Indoles and derivatives
Disease: AD
PCNDIDM0019
Maltol
Canonical SMILES: CC1=C(C(=O)C=CO1)O
Class: Pyrans
Disease: AD
PCNDIDM0023
Mangiferin
Canonical SMILES: C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDM0039
Melatonin
Canonical SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDM0047
Meperidine
Canonical SMILES: CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
Class: Piperidines
Disease: AD, PD
PCNDIDM0061
methyl (14Z)-14-ethylidene-4,6-dimethoxy-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
Canonical SMILES: CC=C1CN2C3CC1C(C45C3(NC6=C4C=C(C=C6OC)OC)OC2C5)C(=O)OC
Class: Indoles and derivatives
Disease: AD
PCNDIDM0078
Methyl 2-furoate
Canonical SMILES: COC(=O)C1=CC=CO1
Class: Furans
Disease: Huntington disease
PCNDIDM0133
Mitraphyllic acid
Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)O)C5=CC=CC=C5NC4=O
Class: Indolizidines
Disease: AD, PD
PCNDIDM0134
Mitraphylline
Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Class: Indolizidines
Disease: AD
PCNDIDM0135
Mitrinermine
Canonical SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Class: Indolizidines
Disease: PD, Epilepsy
PCNDIDM0137
Mollislactone
Canonical SMILES: CC=C1C2=CCCC=C(CCCC2OC1=O)C
Class: Lactones
Disease: AD
PCNDIDM0138
Mollugin
Canonical SMILES: CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
Class: Naphthopyrans
Disease: AD, PD
PCNDIDM0141
Monocrotaline
Canonical SMILES: CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O
Class: Pyrrolizines
Disease: AD
PCNDIDM0176
Myristicin
Canonical SMILES: COC1=CC(=CC2=C1OCO2)CC=C
Class: Benzodioxoles
Disease: AD, PD
PCNDIDN0004
N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine
Canonical SMILES: CC(=CCNC1=NC=NC2=C1NC=N2)C
Class: Imidazopyrimidines
Disease: AD
PCNDIDN0005
n-(4-Chlorobenzoyl)-melatonin
Canonical SMILES: CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl
Class: Indoles and derivatives
Disease: AD
PCNDIDN0009
N,N-Dimethyl-5-methoxytryptamine
Canonical SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)OC
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDN0013
N,N-Dimethyltryptamine
Canonical SMILES: CN(C)CCC1=CNC2=CC=CC=C21
Class: Indoles and derivatives
Disease: PD
PCNDIDN0014
N-[(tert-Butoxy)carbonyl]-D-tryptophan
Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
Class: Indoles and derivatives
Disease: AD
PCNDIDN0016
Nabilone
Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C2C3CC(=O)CCC3C(OC2=C1)(C)C)O
Class: Naphthopyrans
Disease: AD
PCNDIDN0017
N-Allylbenzothiazolium Bromide
Canonical SMILES: C=CC[N+]1=CSC2=CC=CC=C21.[Br-]
Class: Benzothiazoles
Disease: AD
PCNDIDN0035
Neocnidilide
Canonical SMILES: CCCCC1C2CCCC=C2C(=O)O1
Class: Isobenzofurans
Disease: AD
PCNDIDN0037
Neolinderalactone
Canonical SMILES: CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O
Class: Dihydrofurans
Disease: AD
PCNDIDN0058
Nicotinamide
Canonical SMILES: C1=CC(=CN=C1)C(=O)N
Class: Pyridines and derivatives
Disease: AD
PCNDIDN0059
Nicotine
Canonical SMILES: CN1CCCC1C2=CN=CC=C2
Class: Pyridines and derivatives
Disease: AD, PD, Encephalitits, Huntington disease, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDN0060
Nicotinic acid
Canonical SMILES: C1=CC(=CN=C1)C(=O)O
Class: Pyridines and derivatives
Disease: AD
PCNDIDN0061
Nitidine
Canonical SMILES: C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
Class: Quinolines and derivatives
Disease: AD
PCNDIDN0064
N-Methylflindersine
Canonical SMILES: CC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDN0078
Norathyriol
Canonical SMILES: C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O
Class: Benzopyrans
Disease: AD
PCNDIDN0093
Noroxyhydrastinine
Canonical SMILES: C1CNC(=O)C2=CC3=C(C=C21)OCO3
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDN0094
Norsanguinarine
Canonical SMILES: C1OC2=C(O1)C3=CN=C4C(=C3C=C2)C=CC5=CC6=C(C=C54)OCO6
Class: Quinolines and derivatives
Disease: AD
PCNDIDN0096
Norswertianin
Canonical SMILES: C1=CC2=C(C(=C1O)O)C(=O)C3=C(C=C(C=C3O2)O)O
Class: Benzopyrans
Disease: AD
PCNDIDN0098
Norvisnagin
Canonical SMILES: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C=CO3
Class: Benzopyrans
Disease: AD
PCNDIDO0024
O-Methylarmepavine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDO0026
Onjixanthone I
Canonical SMILES: COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)OC)OC
Class: Benzopyrans
Disease: AD
PCNDIDO0030
orixalone A
Canonical SMILES: CC(C)C(=O)CC1=C(C2=C(C(=CC=C2)OC)N(C1=O)C)OC
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDO0031
Orixine
Canonical SMILES: CC(C)(C(CC1=C(C2=C(C3=C(C=C2)OCO3)N=C1OC)OC)O)O
Class: Quinolines and derivatives
Disease: AD
PCNDIDO0032
Orixinone
Canonical SMILES: CC(C)C(=O)CC1=C(C2=C(C3=C(C=C2)OCO3)N=C1OC)OC
Class: Quinolines and derivatives
Disease: AD
PCNDIDO0046
Oxyberberine
Canonical SMILES: COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDO0047
Oxychelerythrine
Canonical SMILES: CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C(=C(C=C5)OC)OC
Class: Quinolines and derivatives
Disease: AD
PCNDIDO0051
Oxynitidine
Canonical SMILES: CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC
Class: Quinolines and derivatives
Disease: AD
PCNDIDP0014
Panacene
Canonical SMILES: CCC1=C2C3C(CC(O3)C=C=CBr)OC2=CC=C1
Class: Coumarans
Disease: AD
PCNDIDP0018
Paniculide B
Canonical SMILES: CC(=CCCC1=C2C(CC3(C(C2O)O3)CO)OC1=O)C
Class: Oxepanes
Disease: AD
PCNDIDP0019
Paniculide C
Canonical SMILES: CC(=CCCC1=C2C(CC3(C(C2=O)O3)CO)OC1=O)C
Class: Oxepanes
Disease: AD
PCNDIDP0020
Papaverine
Canonical SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDP0021
Paraldehyde
Canonical SMILES: CC1OC(OC(O1)C)C
Class: Trioxanes
Disease: AD
PCNDIDP0028
Patulin
Canonical SMILES: C1C=C2C(=CC(=O)O2)C(O1)O
Class: Pyrans
Disease: AD
PCNDIDP0034
Pedatisectine F
Canonical SMILES: CC1=CN=CC(=N1)C(C(C(CO)O)O)O
Class: Diazines
Disease: AD, PD
PCNDIDP0071
Phenacein
Canonical SMILES: C1=CC2=NC3=C(C=C(C=C3N=C2C(=C1)O)O)C(=O)O
Class: Diazanaphthalenes
Disease: AD
PCNDIDP0089
Phenytoin
Canonical SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
Class: Azolidines
Disease: Epilepsy
PCNDIDP0090
Pheophytin a
Canonical SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)O)C)C
Class: Tetrapyrroles and derivatives
Disease: AD
PCNDIDP0091
Pheophytin b
Canonical SMILES: CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)C
Class: Tetrapyrroles and derivatives
Disease: AD
PCNDIDP0099
Phthalide
Canonical SMILES: C1C2=CC=CC=C2C(=O)O1
Class: Isocoumarans
Disease: PD, Epilepsy
PCNDIDP0103
Physostigmine
Canonical SMILES: CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
Class: Indoles and derivatives
Disease: AD, Meningitis
PCNDIDP0104
Physostigmine salicylate
Canonical SMILES: CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDP0105
Physovenine
Canonical SMILES: CC12CCOC1N(C3=C2C=C(C=C3)OC(=O)NC)C
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDP0114
Picrotoxin
Canonical SMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
Class: Furopyrans
Disease: AD
PCNDIDP0115
Picrotoxinin
Canonical SMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C
Class: Furopyrans
Disease: AD
PCNDIDP0119
Pinol
Canonical SMILES: CC1=CCC2CC1OC2(C)C
Class: Tetrahydrofurans
Disease: AD, PD
PCNDIDP0122
Pipercide
Canonical SMILES: CC(C)CNC(=O)C=CC=CCCCCC=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: Epilepsy
PCNDIDP0128
Pipernonaline
Canonical SMILES: C1CCN(CC1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3
Class: Benzodioxoles
Disease: AD, PD
PCNDIDP0129
Piperolein B
Canonical SMILES: C1CCN(CC1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3
Class: Benzodioxoles
Disease: AD, PD
PCNDIDP0131
Piperonal
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=O
Class: Benzodioxoles
Disease: AD
PCNDIDP0132
Piperonylic acid
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)O
Class: Benzodioxoles
Disease: AD, PD
PCNDIDP0147
Ponticaepoxide
Canonical SMILES: CC#CC#CC#CC=CC1C(O1)C=C
Class: Epoxides
Disease: AD
PCNDIDP0158
Preskimmianine
Canonical SMILES: CC(=CCC1=C(C2=C(C(=C(C=C2)OC)OC)NC1=O)OC)C
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDP0182
Protoanemonin
Canonical SMILES: C=C1C=CC(=O)O1
Class: Dihydrofurans
Disease: PD, Epilepsy
PCNDIDP0183
Protopapaverine
Canonical SMILES: CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)O
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDP0191
Przewalskin B
Canonical SMILES: CC(C)C1=CC23CCC4C(=CCCC4(C)C)C2OC(=O)C3(C1=O)O
Class: Naphthofurans
Disease: AD
PCNDIDP0203
Psychotridine
Canonical SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C7=C8C(=CC=C7)C9(CCN(C9N8)C)C12CCN(C1NC1=C(C=CC=C21)C12CCN(C1NC1=CC=CC=C21)C)C
Class: Indoles and derivatives
Disease: AD
PCNDIDP0204
Pteleine
Canonical SMILES: COC1=CC2=C(C=C1)N=C3C(=C2OC)C=CO3
Class: Quinolines and derivatives
Disease: AD
PCNDIDP0205
Pteleprenine
Canonical SMILES: CC(=CCC1=C(C2=C(C3=C(C=C2)OCO3)N(C1=O)C)OC)C
Class: Quinolines and derivatives
Disease: AD
PCNDIDP0224
Pyrido(3',4':4,5)cyclohept(1,2-b)indol-6(2H)-one, 4-ethylidene-1,3,4,4a,5,7,12,12a-octahydro-2-methyl-, (4E,4aR,12aR)-
Canonical SMILES: CC=C1CN(CC2C1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDP0225
Pyridoxine
Canonical SMILES: CC1=NC=C(C(=C1O)CO)CO
Class: Pyridines and derivatives
Disease: AD, PD
PCNDIDQ0014
Quindoline
Canonical SMILES: C1=CC=C2C(=C1)C=C3C(=N2)C4=CC=CC=C4N3
Class: Quinolines and derivatives
Disease: AD
PCNDIDR0016
Reticuline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDR0028
Riboflavin
Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
Class: Pteridines and derivatives
Disease: AD
PCNDIDR0036
Rosmadial
Canonical SMILES: CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C=O)(C)C)C(=O)O2)O
Class: Benzofurans
Disease: AD
PCNDIDR0044
Rubilactone
Canonical SMILES: COC(=O)C1=C(C2=CC=CC=C2C3=C1C=CC(=O)O3)O
Class: Naphthopyrans
Disease: AD
PCNDIDR0050
Rutaecarpine
Canonical SMILES: C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4
Class: Indoles and derivatives
Disease: AD, PD, Myasthenia Gravis
PCNDIDS0004
Safrole
Canonical SMILES: C=CCC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDS0020
Salsoline
Canonical SMILES: CC1C2=CC(=C(C=C2CCN1)O)OC
Class: Tetrahydroisoquinolines
Disease: AD
PCNDIDS0021
Salsolinol
Canonical SMILES: CC1C2=CC(=C(C=C2CCN1)O)O
Class: Tetrahydroisoquinolines
Disease: AD, PD
PCNDIDS0025
Salvianolic acid G
Canonical SMILES: C1C(C(=O)C2=CC3=C(C(=C(C=C3)O)O)OC4=C(C=CC1=C24)O)C(=O)O
Class: Benzoxepines
Disease: AD
PCNDIDS0044
Sarisan
Canonical SMILES: COC1=CC2=C(C=C1CC=C)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDS0045
Sarracine
Canonical SMILES: CC=C(C)C(=O)OC1CCN2C1C(CC2)COC(=O)C(=CC)CO
Class: Pyrrolizidines
Disease: Epilepsy
PCNDIDS0047
Sauchinone
Canonical SMILES: CC1CC2C3C(C1C)C4=CC5=C(C=C4OC36C(=CC2=O)OCO6)OCO5
Class: Benzopyrans
Disease: AD, PD
PCNDIDS0048
Saulatine
Canonical SMILES: COC1=C(C2=C(C=C1)C3C(=O)C4=CC(=C(C=C4CCN3C(=O)C2)OC)OC)OC
Class: Benzazepines
Disease: AD
PCNDIDS0057
Schizonepetoside B
Canonical SMILES: CC1CCC(C(=O)C1)C2(COC3C(O2)C(C(C(O3)CO)O)O)C
Class: Pyranodioxins
Disease: AD
PCNDIDS0071
Securinine
Canonical SMILES: C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
Class: Indolizidines
Disease: AD
PCNDIDS0072
Selagine
Canonical SMILES: CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3
Class: Quinolines and derivatives
Disease: AD
PCNDIDS0076
Senkyunolide A
Canonical SMILES: CCCCC1C2=C(C=CCC2)C(=O)O1
Class: Isobenzofurans
Disease: AD, Myasthenia Gravis
PCNDIDS0077
Senkyunolide C
Canonical SMILES: CCCC=C1C2=C(C=CC(=C2)O)C(=O)O1
Class: Isocoumarans
Disease: AD
PCNDIDS0078
Senkyunolide D
Canonical SMILES: CCCC(=O)C1(C2=C(C=CCC2)C(=O)O1)O
Class: Isobenzofurans
Disease: AD
PCNDIDS0079
Senkyunolide E
Canonical SMILES: CCC(C=C1C2=CC=CC=C2C(=O)O1)O
Class: Isocoumarans
Disease: AD
PCNDIDS0080
Senkyunolide F
Canonical SMILES: CCC(C=C1C2=C(C=CCC2)C(=O)O1)O
Class: Isobenzofurans
Disease: AD
PCNDIDS0081
Senkyunolide G
Canonical SMILES: CCCCC1(C2=C(C=CCC2)C(=O)O1)O
Class: Isobenzofurans
Disease: AD
PCNDIDS0082
Senkyunolide K
Canonical SMILES: CCCCC1C2=C(C=CCC2O)C(=O)O1
Class: Isobenzofurans
Disease: AD
PCNDIDS0083
Senkyunolide N
Canonical SMILES: CCCCC1C2=C(C(C(CC2)O)O)C(=O)O1
Class: Isobenzofurans
Disease: AD
PCNDIDS0084
Serotonin
Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDS0085
Serpentine
Canonical SMILES: CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDS0087
Sesamol
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)O
Class: Benzodioxoles
Disease: AD, PD, Meningitis
PCNDIDS0088
Sesamolin
Canonical SMILES: C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
Class: Benzodioxoles
Disease: AD, PD
PCNDIDS0091
Sesquicineole
Canonical SMILES: CC(=CCCC1(C2CCC(O1)(CC2)C)C)C
Class: Oxanes
Disease: AD
PCNDIDS0093
Sessilifoliamide B
Canonical SMILES: CCC(C1CCCCN2C1CCC2=O)C3CC(C(=O)O3)C
Class: Pyrroloazepines
Disease: AD, Meningitis
PCNDIDS0094
Sessilifoliamide C
Canonical SMILES: CCC(C1CCCCN2C1CCC2=O)C3C=C(C(=O)O3)C
Class: Pyrroloazepines
Disease: AD
PCNDIDS0095
Sessilifoliamide E
Canonical SMILES: CCC1C2C(C(C(=O)O2)C)C3CC(N(C3=O)CCCCC1=O)C4CC(C(=O)O4)C
Class: Lactones
Disease: AD
PCNDIDS0108
Silicine
Canonical SMILES: CCC1CN(CC2C1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C
Class: Indoles and derivatives
Disease: AD
PCNDIDS0119
Skimmianine
Canonical SMILES: COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDS0145
Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-
Canonical SMILES: CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Class: Tetrahydroisoquinolines
Disease: AD
PCNDIDS0164
Stizolamine
Canonical SMILES: CN1C(=CN=C(C1=O)N=C(N)N)CO
Class: Diazines
Disease: AD
PCNDIDS0173
Sudan III
Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O
Class: Azobenzenes
Disease: AD
PCNDIDS0178
Swerchirin
Canonical SMILES: COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C(C=C3O2)OC)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDS0180
Swertianin
Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)O)O
Class: Benzopyrans
Disease: AD
PCNDIDS0183
Sylvatine
Canonical SMILES: CC(C)CCCC=CCCCCNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: Epilepsy
PCNDIDT0002
Tacrine
Canonical SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N
Class: Quinolines and derivatives
Disease: AD
PCNDIDT0019
Tembetarine
Canonical SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC)C
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDT0027
tert-Butyl 4-bromo-1H-indazole-1-carboxylate
Canonical SMILES: CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)Br
Class: Benzopyrazoles
Disease: AD
PCNDIDT0049
Theobromine
Canonical SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
Class: Imidazopyrimidines
Disease: AD, PD
PCNDIDT0051
Theophylline
Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
Class: Imidazopyrimidines
Disease: AD
PCNDIDT0054
Thioctic acid
Canonical SMILES: C1CSSC1CCCCC(=O)O
Class: Dithiolanes
Disease: AD
PCNDIDT0079
Toralactone
Canonical SMILES: CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC
Class: Naphthopyrans
Disease: AD
PCNDIDT0086
trans-Zeatin
Canonical SMILES: CC(=CCNC1=NC=NC2=C1NC=N2)CO
Class: Imidazopyrimidines
Disease: Myasthenia Gravis
PCNDIDT0107
Triptolide
Canonical SMILES: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C
Class: Oxepanes
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDT0115
Trolox
Canonical SMILES: CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C
Class: Benzopyrans
Disease: AD
PCNDIDT0118
Tryptamine
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCN
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDT0119
Tryptophan
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
Class: Indoles and derivatives
Disease: AD
PCNDIDT0120
Tryptophol
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCO
Class: Indoles and derivatives
Disease: Huntington disease
PCNDIDT0122
Tuberostemonone
Canonical SMILES: CCC1C2CCCCN(C2=O)C(CC(=O)C3C1OC(=O)C3C)C4CC(C(=O)O4)C
Class: Lactams
Disease: AD
PCNDIDT0127
Tussilagine
Canonical SMILES: CC1(CN2CCCC2C1C(=O)OC)O
Class: Pyrrolizidines
Disease: AD
PCNDIDU0004
Uncarine c
Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Class: Indolizidines
Disease: PD, Epilepsy
PCNDIDU0008
Uric Acid
Canonical SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O
Class: Imidazopyrimidines
Disease: AD
PCNDIDV0010
Vasicinol
Canonical SMILES: C1CN2CC3=C(C=CC(=C3)O)N=C2C1O
Class: Diazanaphthalenes
Disease: AD
PCNDIDV0011
Vatamidine
Canonical SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C7=C8C(=CC=C7)C9(CCN(C9N8)C)C1=C2C(=CC=C1)C1(CCN(C1N2)C)C1=C2C(=CC=C1)C1(CCN(C1N2)C)C1=C2C(=CC=C1)C1(CCN(C1N2)C)C12CCN(C1NC1=C(C=CC=C21)C12CCN(C1NC1=CC=CC=C21)C)C
Class: Indoles and derivatives
Disease: AD
PCNDIDV0012
Vatamine
Canonical SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C7=C8C(=CC=C7)C9(CCN(C9N8)C)C1=C2C(=CC=C1)C1(CCN(C1N2)C)C1=C2C(=CC=C1)C1(CCN(C1N2)C)C12CCN(C1NC1=C(C=CC=C21)C12CCN(C1NC1=CC=CC=C21)C)C
Class: Indoles and derivatives
Disease: AD
PCNDIDV0013
Vatine
Canonical SMILES: CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C7=C8C(=CC=C7)C9(CCN(C9N8)C)C1=C2C(=CC=C1)C1(CCN(C1N2)C)C12CCN(C1NC1=C(C=CC=C21)C12CCN(C1NC1=CC=CC=C21)C)C
Class: Indoles and derivatives
Disease: AD
PCNDIDV0015
Venoterpine
Canonical SMILES: CC1C(CC2=C1C=NC=C2)O
Class: Pyridines and derivatives
Disease: AD
PCNDIDV0029
Viquidil
Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3C=C
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDV0043
Vomicine
Canonical SMILES: CN1CCC23C4C5C(CC2=O)C(=CCOC5CC(=O)N4C6=C3C=CC=C6O)C1
Class: Indoles and derivatives
Disease: AD
PCNDIDW0009
Wilfordic acid
Canonical SMILES: CC(CCC1=C(C=CC=N1)C(=O)O)C(=O)O
Class: Pyridines and derivatives
Disease: AD
PCNDIDW0012
Withasomnine
Canonical SMILES: C1CC2=C(C=NN2C1)C3=CC=CC=C3
Class: Azoles
Disease: Epilepsy
PCNDIDX0002
Xanthene-9-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O
Class: Benzopyrans
Disease: AD
PCNDIDX0013
Xyloidone
Canonical SMILES: CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C
Class: Naphthopyrans
Disease: AD, PD