Showing results for Lipids and lipid-like molecules
Total number of hits: 907
Click on results for more details:
PCNDIDOT0002
(-)-Abscisic acid
Canonical SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0003
(-)-alpha-Terpineol
Canonical SMILES: CC1=CCC(CC1)C(C)(C)O
Class: Prenol lipids
Disease: PD
PCNDIDOT0007
(-)-beta-Pinene
Canonical SMILES: CC1(C2CCC(=C)C1C2)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0008
(-)-beta-Sesquiphellandrene
Canonical SMILES: CC(CCC=C(C)C)C1CCC(=C)C=C1
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0009
(-)-Bisparthenolidine
Canonical SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(C(=O)O3)CNCC4C5CCC(=CCCC6(C(C5OC4=O)O6)C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0012
(-)-Dihydrocarveol
Canonical SMILES: CC1CCC(CC1O)C(=C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0016
(-)-gamma-Cadinene
Canonical SMILES: CC1=CC2C(CC1)C(=C)CCC2C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0019
(-)-Isorotundene
Canonical SMILES: CC1CCC2C1CC3CCC2(CC3=C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0020
(-)-leukotoxin B
Canonical SMILES: CCCCCC1C(O1)CC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0021
(-)-Limonene
Canonical SMILES: CC1=CCC(CC1)C(=C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0025
(-)-Perillaldehyde
Canonical SMILES: CC(=C)C1CCC(=CC1)C=O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0026
(-)-Pinene
Canonical SMILES: CC1=C2CC(C2(C)C)CC1
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDOT0029
(-)-Sabinene
Canonical SMILES: CC(C)C12CCC(=C)C1C2
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0031
(-)-Valeranone
Canonical SMILES: CC(C)C1CCC2(CCCC(=O)C2(C1)C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDOT0034
(+)-alpha-Curcumene
Canonical SMILES: CC1=CC=C(C=C1)C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0035
(+)-alpha-Phellandrene
Canonical SMILES: CC1=CCC(C=C1)C(C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0036
(+)-alpha-Santalene
Canonical SMILES: CC(=CCCC1(C2CC3C1(C3C2)C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0040
(+)-Bicyclogermacrene
Canonical SMILES: CC1=CCCC(=CC2C(C2(C)C)CC1)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0045
(+)-Dihydrocarveol
Canonical SMILES: CC1CCC(CC1O)C(=C)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0048
(+)-Iridodial lactol
Canonical SMILES: CC1CCC2C1C(OC=C2C)O
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0050
(+)-Linalyl acetate
Canonical SMILES: CC(=CCCC(C)(C=C)OC(=O)C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0062
(+)-Verbenone
Canonical SMILES: CC1=CC(=O)C2CC1C2(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0068
(10E,12Z)-10,12-Octadecadienoic acid methyl ester
Canonical SMILES: CCCCCC=CC=CCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0069
(10E,12Z)-octadeca-10,12-dienoic acid
Canonical SMILES: CCCCCC=CC=CCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0071
(10S,13R)-17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: PD
PCNDIDOT0078
(1aR,4aS,7R,7aR,7bR)-1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa(e)azulen-7-ol
Canonical SMILES: CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0079
(1aR,7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol
Canonical SMILES: CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O
Class: Prenol lipids
Disease: AD
PCNDIDOT0082
(1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione
Canonical SMILES: CC1COC2C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0088
(1R,2R,4S)-limonene-1,2-diol
Canonical SMILES: CC(=C)C1CCC(C(C1)O)(C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0089
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
Canonical SMILES: CC12CC=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)[O-])OC2=O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0090
(1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
Canonical SMILES: CC1(CCCC2(C3C1C(C2=C)CC3)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0091
(1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Canonical SMILES: CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0092
(1R,2S,5S,8R,9S,10S,11R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Canonical SMILES: CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0094
(1r,4r)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
Canonical SMILES: CC(=C)C1CCC(C=C1)(C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0097
(1R,5R,6S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
Canonical SMILES: CC1CCC(C2C13C2C(=CC3)C)C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0099
(1R,6S)-gamma-himachalene
Canonical SMILES: CC1=CC2C(CC1)C(=CCCC2(C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0100
(1S)-4-[(1E,3Z,5E,7Z,9E,11Z,13E,15Z,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Canonical SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0104
(1S,2S,7S,8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
Canonical SMILES: CC1=CCC2C3C1C2(CCCC3(C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0105
(1S,3R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Canonical SMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Class: Steroids and steroid derivatives
Disease: PD
PCNDIDOT0107
(1S,4As,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Canonical SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0110
(1Z,4Z)-germacrene B
Canonical SMILES: CC1=CCCC(=CCC(=C(C)C)CC1)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0111
(2E)-2-[(3Z,7Z)-4,8-dimethyl-10-oxocyclodeca-3,7-dien-1-ylidene]propanal
Canonical SMILES: CC1=CCC(=C(C)C=O)C(=O)CC(=CCC1)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0112
(2E,8E)-9-(Furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol
Canonical SMILES: C1=COC(=C1)C=CC#CC#CC=CCO
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0141
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13S,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDOT0144
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(10R,12S,13S,14R,17S)-17-[(2S)-4,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-12-hydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclop
Canonical SMILES: CC(CC(C)(C1CCC2(C1C(CC3C2CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C=C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0146
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES: C1COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0152
(2Z,6E)-Farnesol
Canonical SMILES: CC(=CCCC(=CCCC(=CCO)C)C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0153
(3aR,8R,8aR,9aR)-8-hydroxy-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Canonical SMILES: CC1=C2CC3C(CC2(C(CC1)O)C)OC(=O)C3=C
Class: Prenol lipids
Disease: AD
PCNDIDOT0154
(3bR,9bS)-6-hydroxy-9b-methyl-7-(propan-2-yl)-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
Canonical SMILES: CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2=O)COC4=O)C)O
Class: Steroids and steroid derivatives
Disease: AD, Epilepsy
PCNDIDOT0158
(3r)-8-[(2r,3s)-3-Heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol
Canonical SMILES: CCCCCCCC1C(O1)CC#CC#CC(C=C)O
Class: Fatty Acyls
Disease: AD, PD, Epilepsy
PCNDIDOT0163
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
Canonical SMILES: CC1CCC(C=C1)C(=C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0167
(3S,10S)-panaxydiol
Canonical SMILES: CCCCCCCC(C=CC#CC#CC(C=C)O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0168
(3S,10S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0169
(3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
Canonical SMILES: CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0170
(3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0173
(4aS,5R)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Canonical SMILES: CC1CCCC2=CC(=O)C(=C(C)C)CC12C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0178
(4Z,8R,9R)-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
Canonical SMILES: CC1=CCCC2=CC(C(CC1)C(=C)C)OC2=O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0179
(5E)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
Canonical SMILES: CC1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C
Class: Prenol lipids
Disease: PD
PCNDIDOT0186
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Canonical SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-]
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0187
(5Z,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0192
(6E,10S)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione
Canonical SMILES: CC1CCC=C(CC(=O)C(=C(C)C)CC1=O)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0194
(6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
Canonical SMILES: CC1=COC2=C1C(=O)C(C(C2)(C)C=C)C(=C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0195
(6S)-6-hydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O
Class: Prenol lipids
Disease: AD
PCNDIDOT0196
(6S,10S)-6,10,14-trimethylpentadecan-2-one
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0197
(6S,7R)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one
Canonical SMILES: CC1CC(=O)C2=C(CC(=C)C=CC1OC)OC=C2C
Class: Prenol lipids
Disease: AD
PCNDIDOT0198
(6Z,10S)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione
Canonical SMILES: CC1CCC=C(CC(=O)C(=C(C)C)CC1=O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0199
(7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Canonical SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0200
(7S)-4a,5,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl D-glucopyranoside
Canonical SMILES: CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Class: Prenol lipids
Disease: PD
PCNDIDOT0201
(8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Canonical SMILES: CC12CCC(CC1CCC3C2C(CC4(C3CCC4O)C)O)O
Class: Steroids and steroid derivatives
Disease: AD, Epilepsy
PCNDIDOT0202
(8Z,14Z)-icosa-8,14-dienoic acid
Canonical SMILES: CCCCCC=CCCCCC=CCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0213
(e,e)-1-Ethyl octadeca-3,13-dienoate
Canonical SMILES: CCCCC=CCCCCCCCCC=CCC(=O)OCC
Class: Fatty Acyls
Disease: Huntington disease
PCNDIDOT0214
(E,Z)-farnesol
Canonical SMILES: CC(=CCCC(=CCCC(=CCO)C)C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0219
(R)-(-)-alpha-Phellandrene
Canonical SMILES: CC1=CCC(C=C1)C(C)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0222
(R)-1-Methyl-5-(1-methylvinyl)cyclohexene
Canonical SMILES: CC1=CCCC(C1)C(=C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0231
(R)-Lavandulol
Canonical SMILES: CC(=CCC(CO)C(=C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0232
(R)-Linalyl acetate
Canonical SMILES: CC(=CCCC(C)(C=C)OC(=O)C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0245
(S)-2-Ethylhexanoic acid
Canonical SMILES: CCCCC(CC)C(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0246
(S)-2-methylbutanoic acid
Canonical SMILES: CCC(C)C(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0255
(S)-cis-Verbenol
Canonical SMILES: CC1=CC(C2CC1C2(C)C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0267
(Z)-5-[(1R,3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
Canonical SMILES: CC(=CCCC1(C2CC3C1(C3C2)C)C)CO
Class: Prenol lipids
Disease: PD
PCNDIDOT0268
(Z)-7-Hexadecenoic acid
Canonical SMILES: CCCCCCCCC=CCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0269
(Z)-9-Pentadecenoic acid
Canonical SMILES: CCCCCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0270
(Z)-caryophyllene
Canonical SMILES: CC1=CCCC(=C)C2CC(C2CC1)(C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0272
(Z)-gamma-bisabolene
Canonical SMILES: CC1=CCC(=C(C)CCC=C(C)C)CC1
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0273
(Z)-hexadec-11-enoic acid
Canonical SMILES: CCCCC=CCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0274
(Z)-lanceol
Canonical SMILES: CC1=CCC(CC1)C(=C)CCC=C(C)CO
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0275
(Z)-methyl 4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-3-ethylidene-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3,4-dihydro-2H-pyran-5-carboxylate
Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O
Class: Prenol lipids
Disease: PD
PCNDIDOT0279
(Z,Z)-alpha-Farnesene
Canonical SMILES: CC(=CCCC(=CCC=C(C)C=C)C)C
Class: Prenol lipids
Disease: PD
PCNDIDOT0280
[(1(10)E,2R,4R)]-2-Methoxy-8,12-epoxygemacra-1(10),7,11-trien-6-one
Canonical SMILES: CC1CC(C=C(CC2=C(C(=CO2)C)C(=O)C1)C)OC
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0282
[(1S,2R,4R,5R,8R,10S,11S,12R,14R,15R,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate
Canonical SMILES: CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C)O)O
Class: Prenol lipids
Disease: PD
PCNDIDOT0283
[(1S,2R,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl] acetate
Canonical SMILES: CC(=O)OC1(C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0285
[(1S,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Canonical SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
Class: Prenol lipids
Disease: PD
PCNDIDOT0286
[(2R,3R,4R,5R,6R,7S,8S,9R,10S,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
Class: Prenol lipids
Disease: PD
PCNDIDOT0287
[(2R,3R,4R,5R,6S,8R,10S,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)OC(=O)C)COC
Class: Prenol lipids
Disease: PD
PCNDIDOT0289
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxy
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDOT0291
[(3aS,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-(hydroxymethyl)but-2-enoate
Canonical SMILES: CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)CO)C(=C)C(=O)O2
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0292
[(3aS,5R,5aS,6R,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
Canonical SMILES: CC1CC2C(C(C3(C1C(CC3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0293
[(3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
Canonical SMILES: CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O
Class: Prenol lipids
Disease: PD
PCNDIDOT0295
[(4E)-1beta-Hydroxy-1-methyl-7-isopropyl-1,2,3,3aalpha,4,5,6,8abeta-octahydroazulene-4-ylidene]methanesulfonic acid
Canonical SMILES: CC(C)C1=CC2C(CCC2(C)O)C(=CS(=O)(=O)O)CC1
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0298
[(6S,7S,10R)-4,10,11,11-tetramethyl-3-oxo-6-tricyclo[5.3.1.01,5]undec-4-enyl] acetate
Canonical SMILES: CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)OC(=O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0301
[(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Canonical SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0303
[6]-Gingerdiol 3,5-diacetate
Canonical SMILES: CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0317
1,1,9,9a-Tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
Canonical SMILES: CC1CCC=C2C1(C3C(CC2=O)OOC3(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0326
1,2-Dihydrotanshinquinone
Canonical SMILES: CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0327
1,2-Propanediol, 3-methoxy-, (S)-
Canonical SMILES: COCC(CO)O
Class: Glycerolipids
Disease: AD, Epilepsy
PCNDIDOT0339
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
Canonical SMILES: CC1=CCC(C=CCC(=CCC1)C)(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0340
1,4a-Dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
Canonical SMILES: CC1CCCC2(C1CCC3=C2C=CC(=C3)C(C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0341
1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Canonical SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0343
1,4-Cineole
Canonical SMILES: CC(C)C12CCC(O1)(CC2)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0352
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
Canonical SMILES: CC(=CCCC(=CCCC(C)(C=C)O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0355
1,6-Dihydroxyeriolanolide
Canonical SMILES: CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCO
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0357
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
Canonical SMILES: CC1(C2CCC1(C(C2)O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0371
10(14)-Guaien-4-ol
Canonical SMILES: CC(C)C1CCC(=C)C2CCC(C2C1)(C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0372
10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES: CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDOT0373
10,13-Octadecadienoic acid, methyl ester
Canonical SMILES: CCCCC=CCC=CCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0374
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane
Canonical SMILES: CC1CCCC2(C1(C(C3=C(C2)OC=C3C)OC(=O)C(C)C)C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0377
10-Nonadecenoic acid, methyl ester
Canonical SMILES: CCCCCCCCC=CCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0378
10Z,13Z-nonadecadienoic acid
Canonical SMILES: CCCCCC=CCC=CCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0379
11,13-Dimethyl-12-tetradecen-1-ol acetate
Canonical SMILES: CC(CCCCCCCCCCOC(=O)C)C=C(C)C
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0380
11,13-Eicosadienoic acid, methyl ester
Canonical SMILES: CCCCCCC=CC=CCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD, Epilepsy, Huntington disease
PCNDIDOT0381
11,14,17-Eicosatrienoic acid
Canonical SMILES: CCC=CCC=CCC=CCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0382
11,14-Eicosadienoic acid
Canonical SMILES: CCCCCC=CCC=CCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0383
11,14-Octadecadienoic acid, methyl ester
Canonical SMILES: CCCC=CCC=CCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0389
12,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Canonical SMILES: CC12C(CC(C3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0391
12-beta-(Benzoyloxy)daphnetoxin
Canonical SMILES: CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C8=CC=CC=C8
Class: Prenol lipids
Disease: AD
PCNDIDOT0394
12-Methyltridecanoic acid
Canonical SMILES: CC(C)CCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0395
13-Epimanool
Canonical SMILES: CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0396
13-Hydroxy-9,11-octadecadienoic acid
Canonical SMILES: CCCCCC(C=CC=CCCCCCCCC(=O)O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0398
14,17-Octadecadienoic acid, methyl ester
Canonical SMILES: COC(=O)CCCCCCCCCCCCC=CCC=C
Class: Fatty Acyls
Disease: AD, Epilepsy, Huntington disease
PCNDIDOT0399
14-Deoxy-11,12-didehydroandrographolide
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)CO)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0400
14-Deoxy-12-methoxyandrographolide
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)OC)(C)CO)O
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0401
14-Deoxyandrographolide
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)CO)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0403
16-Heptadecynoic acid
Canonical SMILES: C#CCCCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0405
18alpha,19betaH-Urs-20-ene-3beta,16beta-diol
Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)C)O)C)C)(C)C)O)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0418
1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
Canonical SMILES: CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
Class: Prenol lipids
Disease: AD
PCNDIDOT0435
1-Methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalene-1,4a-diol
Canonical SMILES: CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0436
1-Monolinolenoyl-rac-glycerol
Canonical SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0437
1-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDOT0438
1-Octacosanol
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Class: Fatty Acyls
Disease: PD, Epilepsy
PCNDIDOT0447
2-(1,5-Dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
Canonical SMILES: CC1=CC(C(CC1)O)C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0448
2-(1,7-Dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES: CC=CC#CC#CC(C(C=CCCCO)OC1C(C(C(C(O1)CO)O)O)O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0479
2,2-Dimethylcyclopentylcyclohexane
Canonical SMILES: CC1(CCCC1C2CCCCC2)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0506
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
Canonical SMILES: CC1=C(C(CCC1=O)(C)C)CCC(=O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0531
2,5-Dibutylfuran
Canonical SMILES: CCCCC1=CC=C(O1)CCCC
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0537
2,6,10,14,18-Pentamethyl-2,6,10,14,18-eicosapentaene
Canonical SMILES: CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0554
2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one
Canonical SMILES: CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)O
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0558
2,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (Z,E)-
Canonical SMILES: CC1=CCC(=C(C)C)C(=O)C=C(CCC1)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0561
2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol
Canonical SMILES: C1CC(=C(C1CCO)CO)CO
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0562
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl acetate
Canonical SMILES: CC1=CCC(CC1)C(C)(C)OC(=O)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0565
2-[(3r,5s,8r)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
Canonical SMILES: CC1CCC(CC2=C1CCC2C)C(C)(C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0569
20-Glucoginsenoside RF
Canonical SMILES: CC1CC(C2C1(C3CC(C4C(C(CCC4(C3CC2O)C)O)(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C(C)(CCC=C(C)C)OC7C(C(C(C(O7)CO)O)O)O
Class: Prenol lipids
Disease: Huntington disease
PCNDIDOT0570
24-Methylenecycloartanol
Canonical SMILES: CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Class: Steroids and steroid derivatives
Disease: AD, PD, Epilepsy
PCNDIDOT0571
2-Acetoxyfuranodiene
Canonical SMILES: CC1=CCC2=C(CC(=CCC1)C)OC(=C2C)OC(=O)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0576
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-
Canonical SMILES: CC(C)C1CCC(C=C1)(C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0577
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-
Canonical SMILES: CC1=CCC(CC1OC(=O)C)C(=C)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0578
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-
Canonical SMILES: CC1=CC(C(CC1)C(C)C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0579
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
Canonical SMILES: CC1CC=C(C(=O)C1)C(C)(C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0580
2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-
Canonical SMILES: CC1CC=C(C(=O)C1)C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0581
2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)-
Canonical SMILES: CC1CCC(=CC1=O)C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0582
2-Decene-4,6-diyne-1-ol acetate
Canonical SMILES: CCCC#CC#CC=CCOC(=O)C
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0588
2-Ethylbutyric acid
Canonical SMILES: CCC(CC)C(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0591
2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aalpha,7alpha,7aalpha,7balpha)-
Canonical SMILES: CC1CCCC2=CC(=O)C3C(C12C)C3(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0592
2-Hepten-4-one, 6-(2-hydroxy-4-methylphenyl)-2-methyl-
Canonical SMILES: CC1=CC(=C(C=C1)C(C)CC(=O)C=C(C)C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0596
2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Canonical SMILES: CC1(C2CC1C(C(=O)C2)(C)O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0609
2-Hydroxyfuranodiene
Canonical SMILES: CC1=CCC2=C(CC(=CC(C1)O)C)OC=C2C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0614
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane
Canonical SMILES: CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0616
2-Isopropyl-2,5-dimethylcyclohexanone
Canonical SMILES: CC1CCC(C(=O)C1)(C)C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0618
2-Isopropyl-3-methyl-2-cyclohexen-1-one
Canonical SMILES: CC1=C(C(=O)CCC1)C(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0619
2-Isopropyl-5-methylanisole
Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)OC
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0620
2-Isopropyl-8-methylphenanthrene-3,4-dione
Canonical SMILES: CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0622
2-Linoleoylglycerol
Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0629
2-Methoxyfuranodiene
Canonical SMILES: CC1=CCC2=C(CC(=CC(C1)OC)C)OC=C2C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0642
2-Methyl-6-methylidene-9-(propan-2-ylidene)-11-oxatricyclo[6.2.1.0^{1,5}]undecan-8-ol
Canonical SMILES: CC1CCC2C13CC(=C(C)C)C(O3)(CC2=C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0647
2-Methylhexanoic acid
Canonical SMILES: CCCCC(C)C(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0651
2-Monoolein
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
Class: Glycerolipids
Disease: AD, Epilepsy
PCNDIDOT0653
2-Naphthalenemethanol, decahydro-alpha,alpha,4a,8-tetramethyl-, didehydro deriv., [2R-(2alpha,4aalpha,8abeta)]-
Canonical SMILES: CC1C=CCC2(C1CC(C=C2)C(C)(C)O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0673
2-Tetradecenoic acid
Canonical SMILES: CCCCCCCCCCCC=CC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0696
3,3-Dimethylacrylic acid
Canonical SMILES: CC(=CC(=O)O)C
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0731
3,6,10-Trimethyl-4,7,8,11-tetrahydro-cyclodeca[b]furan
Canonical SMILES: CC1=CCC2=C(CC(=CCC1)C)OC=C2C
Class: Prenol lipids
Disease: PD
PCNDIDOT0732
3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one
Canonical SMILES: CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0734
3,7,11-Trimethyl-dodeca-2,4,6,10-tetraenal
Canonical SMILES: CC(=CCCC(=CC=CC(=CC=O)C)C)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0735
3,7,11-Trimethyldodeca-2,6,10-trienyl acetate
Canonical SMILES: CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0736
3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)-
Canonical SMILES: CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0738
3,7-Dimethyloct-6-en-3-ol
Canonical SMILES: CCC(C)(CCC=C(C)C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0744
3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate
Canonical SMILES: CC1C(C2C(CC(=C1CCCOC(=O)C)C)OC(=O)C2=C)O
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0749
3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Canonical SMILES: CC(C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0752
3beta-Hydroxyatractylon
Canonical SMILES: CC1=COC2=C1CC3C(=C)C(CCC3(C2)C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0753
3-Butenoic acid, ethyl ester
Canonical SMILES: CCOC(=O)CC=C
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0754
3-Carene
Canonical SMILES: CC1=CCC2C(C1)C2(C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0766
3-Hydroxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Canonical SMILES: CC1CCC(=NC1)C(C)C2CCC3C2(CCC4C3CC(=O)C5C4(CCC(C5)O)C)C
Class: Steroids and steroid derivatives
Disease: AD, Epilepsy
PCNDIDOT0774
3-Hydroxytanshinone
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0775
3-Isopropyl-6-methylpyrocatechol
Canonical SMILES: CC1=C(C(=C(C=C1)C(C)C)O)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0776
3'-Methoxy-[6]-Gingerdiol 3,5-diacetate
Canonical SMILES: CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0797
3-O-Acetyloleanolic acid
Canonical SMILES: CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0808
3-Stearoyl-sn-glycerol
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Class: Glycerolipids
Disease: AD, Epilepsy
PCNDIDOT0814
4,5,12-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Canonical SMILES: CC12C(C=CC3(C1C(C45C3CC(C(C4)(C(=C)C5)O)O)C(=O)O)OC2=O)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0825
4-[(3aR,7aS)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl acetate
Canonical SMILES: CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCOC(=O)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0826
4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Canonical SMILES: CC1CCC=C2C1(CC(CC2)C(=C)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0834
4-Carvomenthenol
Canonical SMILES: CC1=CCC(CC1)(C(C)C)O
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0850
4-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Canonical SMILES: CC12CCCC3(C1C(C45C3CC(C(C4)C(=C)C5)O)C(=O)O)OC2=O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0856
4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
Canonical SMILES: CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT0858
4-Hydroxybutanoic acid
Canonical SMILES: C(CC(=O)O)CO
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0868
4-Isopropylbenzaldehyde
Canonical SMILES: CC(C)C1=CC=C(C=C1)C=O
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDOT0869
4-Isopropylbenzoic acid
Canonical SMILES: CC(C)C1=CC=C(C=C1)C(=O)O
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0870
4-Isopropylbenzyl alcohol
Canonical SMILES: CC(C)C1=CC=C(C=C1)CO
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDOT0881
4-Methylenemiltirone
Canonical SMILES: CC(C)C1=CC2=C(C3=C(C=C2)C(=C)CCC3)C(=O)C1=O
Class: Prenol lipids
Disease: AD, PD, Epilepsy
PCNDIDOT0893
5-(2,3-Dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol
Canonical SMILES: CC(=CCCC1(C2CC3C1(C3C2)C)C)CO
Class: Prenol lipids
Disease: AD, PD, Huntington disease
PCNDIDOT0901
5,10-Pentadecadienoic acid, (Z,Z)-
Canonical SMILES: CCCCC=CCCCC=CCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0908
5,6,9-Trihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)C(CC3C2(CCCC3(C)C)C(=O)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDOT0934
5,8-Tetradecadienoic acid
Canonical SMILES: CCCCCC=CCC=CCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0935
5,9,12-Octadecatrienic acid
Canonical SMILES: CCCCCC=CCC=CCCC=CCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Epilepsy
PCNDIDOT0936
5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one
Canonical SMILES: CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0942
5beta-Cholanic acid
Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
Class: Steroids and steroid derivatives
Disease: AD, Epilepsy
PCNDIDOT0973
6,10(14)-Guaiadien-4-ol
Canonical SMILES: CC(C)C1=CC2C(CCC2(C)O)C(=C)CC1
Class: Prenol lipids
Disease: AD
PCNDIDOT0974
6,12-Dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Canonical SMILES: CC12CC(CC(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)(C)C(=O)O)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0975
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate
Canonical SMILES: CC1(C2CC=C(C1C2)C(=O)[O-])C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDOT0991
6-Hentriacontanol
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1005
6-O-angeloylplenolin
Canonical SMILES: CC=C(C)C(=O)OC1C2C(C(=O)OC2CC(C3C1(C(=O)C=C3)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT1007
7,10-Octadecadienoic acid
Canonical SMILES: CCCCCCCC=CCC=CCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1008
7,10-Octadecadienoic acid, methyl ester
Canonical SMILES: CCCCCCCC=CCC=CCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDOT1009
7,10-Pentadecadiynoic acid
Canonical SMILES: CCCCC#CCC#CCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1015
7-[2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid
Canonical SMILES: CCCCCC(C=CC1=C(C(=O)CC1)CCCCCCC(=O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1017
7-epi-alpha-Selinene
Canonical SMILES: CC1=CCCC2(C1CC(CC2)C(=C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT1018
7-Geranyloxy-6-methoxycoumarin
Canonical SMILES: CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT1028
7-Methyl-Z-tetradecen-1-ol acetate
Canonical SMILES: CCCCCC=CC(C)CCCCCCOC(=O)C
Class: Fatty Acyls
Disease: AD
PCNDIDOT1034
7R,8R-8-Hydroxy-4-isopropylidene-7-methylbicyclo[5.3.1]undec-1-ene
Canonical SMILES: CC(=C1CCC2(CC(=CC1)CCC2O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDOT1035
8,11-Eicosadienoic acid, methyl ester
Canonical SMILES: CCCCCCCCC=CCC=CCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD, Huntington disease
PCNDIDOT1036
8,11-Octadecadienoic acid
Canonical SMILES: CCCCCCC=CCC=CCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1043
8-Hydroxycadalene
Canonical SMILES: CC1=C2C(=CC(=CC2=C(C=C1)C(C)C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDOT1046
8-O-Acetylharpagide
Canonical SMILES: CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDOT1047
8-Octadecenoic acid, methyl ester
Canonical SMILES: CCCCCCCCCC=CCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDOT1051
8Z-eicosenoic acid
Canonical SMILES: CCCCCCCCCCCC=CCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1057
9,10-Octadecadienoic acid
Canonical SMILES: CCCCCCCC=C=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1058
9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-
Canonical SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDOT1059
9,12-Octadecadienoic acid
Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1060
9-acetoxythymol 3-O-tiglate
Canonical SMILES: CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C(C)COC(=O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDOT1062
9-Eicosenoic acid
Canonical SMILES: CCCCCCCCCCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1071
9-Hydroxy-10,12,15-octadecatrienoic acid
Canonical SMILES: CCC=CCC=CC=CC(CCCCCCCC(=O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1072
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDOT1073
9-Hydroxyglabratolide
Canonical SMILES: CC1=CC2C(C(C(C(=CCC1)C=O)O)OC(=O)C(C)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: AD
PCNDIDOT1074
9-Hydroxyoctadeca-10,12-dienoic acid
Canonical SMILES: CCCCCC=CC=CC(CCCCCCCC(=O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDOT1075
9-Hydroxythymol
Canonical SMILES: CC1=CC(=C(C=C1)C(C)CO)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDOT1078
9-Oxofarnesol
Canonical SMILES: CC(=CC(=O)CC(=CCCC(=CCO)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0001
Abietatriene
Canonical SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0006
Acanthoic acid
Canonical SMILES: CC12CCCC(C1CCC3C2=CCC(C3)(C)C=C)(C)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDA0010
Acetic acid cedrol ester
Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDA0015
Acetyl-11-keto-beta-boswellic-acid
Canonical SMILES: CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0016
Acetylaconitine
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)OC(=O)C)COC
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0021
Aconitine
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0023
Acoric acid
Canonical SMILES: CC1CCC(CC1=O)(C(C)CC(=O)O)C(=O)C(C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDA0031
Aeginetic acid
Canonical SMILES: CC(=CC(=O)O)C=CC1(C(CCCC1(C)O)(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDA0034
Agarospirol
Canonical SMILES: CC1CCC=C(C12CCC(C2)C(C)(C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDA0045
Alantolactone
Canonical SMILES: CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0072
alpha,alpha-Dimethyl-4-methylenecyclohexanemethanol
Canonical SMILES: CC(C)(C1CCC(=C)CC1)O
Class: Prenol lipids
Disease: AD
PCNDIDA0074
alpha1-Sitosterol
Canonical SMILES: CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDA0075
alpha-Amyrin
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0076
alpha-Amyrin palmitate
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4C(C(CC5)C)C)C)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0077
alpha-Amyrin-acetate
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0079
alpha-Bergamotenol
Canonical SMILES: CC1=CCC2CC1C2(C)CCC=C(C)CO
Class: Prenol lipids
Disease: AD
PCNDIDA0080
alpha-Boswellic acid
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0081
alpha-Calacorene
Canonical SMILES: CC1=CCC(C2=C1C=CC(=C2)C)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0082
alpha-Carotene
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0083
alpha-Cedrene
Canonical SMILES: CC1CCC2C13CC=C(C(C3)C2(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0084
alpha-Cedrene epoxide
Canonical SMILES: CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C
Class: Prenol lipids
Disease: AD
PCNDIDA0085
alpha-Chaconine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDA0087
alpha-Curcumene
Canonical SMILES: CC1=CC=C(C=C1)C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0088
alpha-Cyperone
Canonical SMILES: CC1=C2CC(CCC2(CCC1=O)C)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0091
alpha-Elemene
Canonical SMILES: CC(C)C1=CC(=C(C)C)CCC1(C)C=C
Class: Prenol lipids
Disease: AD
PCNDIDA0092
alpha-Eudesmol
Canonical SMILES: CC1=CCCC2(C1CC(CC2)C(C)(C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDA0093
alpha-Farnesene
Canonical SMILES: CC(=CCCC(=CCC=C(C)C=C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0094
alpha-Guaiene
Canonical SMILES: CC1CCC(CC2=C1CCC2C)C(=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0095
alpha-Gurjunene
Canonical SMILES: CC1CCC2C(C2(C)C)C3=C(CCC13)C
Class: Prenol lipids
Disease: AD
PCNDIDA0100
alpha-Patchoulene
Canonical SMILES: CC1CCC23C1CC(C2(C)C)CC=C3C
Class: Prenol lipids
Disease: AD
PCNDIDA0101
alpha-Peroxyachifolide
Canonical SMILES: CC=C(C)C(=O)OC1(C(CC2C(C3C14C=CC3(OO4)C)OC(=O)C2=C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDA0102
alpha-PINENE
Canonical SMILES: CC1=CCC2CC1C2(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0103
alpha-Sanshool
Canonical SMILES: CC=CC=CC=CCCC=CC(=O)NCC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDA0104
alpha-Sinensal
Canonical SMILES: CC(=CCC=C(C)C=C)CCC=C(C)C=O
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0105
alpha-Spinasterol
Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDA0106
alpha-Terpinene
Canonical SMILES: CC1=CC=C(CC1)C(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0107
Alpha-Terpineol
Canonical SMILES: CC1=CCC(CC1)C(C)(C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0108
alpha-Thujene
Canonical SMILES: CC1=CCC2(C1C2)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0109
alpha-Thujone
Canonical SMILES: CC1C2CC2(CC1=O)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0110
alpha-Tocotrienol
Canonical SMILES: CC1=C(C2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0115
Ambrosin
Canonical SMILES: CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0120
Ammonium glycyrrhizate
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N
Class: Prenol lipids
Disease: AD
PCNDIDA0133
Androstane
Canonical SMILES: CC12CCCC1C3CCC4CCCCC4(C3CC2)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDA0134
Anemarrhenasaponin Ia
Canonical SMILES: CC1C2C(C(C3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)OC1(CCC(C)C)OC
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDA0144
Anisatin
Canonical SMILES: CC1CC(C2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O
Class: Prenol lipids
Disease: Epilepsy
PCNDIDA0146
Anisomelic acid
Canonical SMILES: CC1=CCCC(=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDA0158
Apocarotenal
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0164
Arachidic Acid
Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDA0165
Arachidonic Acid
Canonical SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDA0173
Ardisianone
Canonical SMILES: CCCCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
Class: Fatty Acyls
Disease: AD
PCNDIDA0183
Arjunetin
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0186
Arnebinone
Canonical SMILES: CC(=C)C1CCC(C2=C1C(=O)C(=C(C2=O)OC)OC)(C)C=C
Class: Prenol lipids
Disease: AD
PCNDIDA0187
Arnicolide D
Canonical SMILES: CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDA0188
Aromadendrene
Canonical SMILES: CC1CCC2C1C3C(C3(C)C)CCC2=C
Class: Prenol lipids
Disease: AD
PCNDIDA0189
Aromadendrene oxide 2
Canonical SMILES: CC1CCC2C1C3C(C3(C)C)CCC24CO4
Class: Prenol lipids
Disease: AD
PCNDIDA0193
Artecanin
Canonical SMILES: CC1(CCC2C(C3C14C(O4)C5C3(O5)C)OC(=O)C2=C)O
Class: Prenol lipids
Disease: AD
PCNDIDA0194
Arteglasin A
Canonical SMILES: CC1=C2CC3C(C2C4C(C(C1)OC(=O)C)C(=C)C(=O)O4)(O3)C
Class: Prenol lipids
Disease: AD
PCNDIDA0201
ar-Turmerone
Canonical SMILES: CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C
Class: Prenol lipids
Disease: AD, PD, Myasthenia Gravis
PCNDIDA0202
Arucadiol
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)C=CC3=C2C(=O)CCC3(C)C)O)O
Class: Prenol lipids
Disease: AD
PCNDIDA0206
Ascorbyl palmitate
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDA0207
Asiatic acid
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O
Class: Prenol lipids
Disease: AD, Meningitis, Multiple sclreosis
PCNDIDA0214
Asperosid
Canonical SMILES: CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)OC8C(C(C(C(O8)C)O)O)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDA0224
Atractylenolide II
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C
Class: Prenol lipids
Disease: AD
PCNDIDA0225
Atractylenolide III
Canonical SMILES: CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
Class: Prenol lipids
Disease: AD, Myasthenia Gravis
PCNDIDA0228
Atractylon
Canonical SMILES: CC1=COC2=C1CC3C(=C)CCCC3(C2)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0232
Aucubigenin
Canonical SMILES: C1=COC(C2C1C(C=C2CO)O)O
Class: Prenol lipids
Disease: AD
PCNDIDA0233
Aucubin
Canonical SMILES: C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDA0236
Auraptene
Canonical SMILES: CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0001
Bacoside A
Canonical SMILES: CC(=CCCC(C)(C1C2CCC3C(C2(CC1=O)C)(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)OC6C(C(C(CO6)O)O)O)O)O)CO)C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDB0004
Baimuxinal
Canonical SMILES: CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O
Class: Prenol lipids
Disease: AD
PCNDIDB0013
Bartsioside
Canonical SMILES: C1C=C(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)CO
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0014
Bassic acid
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDB0021
Benzene, 1-ethyl-4-(1-methylethyl)-
Canonical SMILES: CCC1=CC=C(C=C1)C(C)C
Class: Prenol lipids
Disease: PD
PCNDIDB0022
Benzeneacetic acid, 4-hydroxy-3-methoxy-, ((2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno(5,4-e)-1,3-benzodioxol-5-yl)methyl ester
Canonical SMILES: CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0026
Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-
Canonical SMILES: CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C
Class: Prenol lipids
Disease: PD
PCNDIDB0032
Benzoylaconine
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC
Class: Prenol lipids
Disease: AD
PCNDIDB0050
Bergamottin
Canonical SMILES: CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0054
beta-2-Chaconine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDB0056
beta-Amyrin
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0057
beta-Amyrin acetate
Canonical SMILES: CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0058
beta-Amyrin palmitate
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0062
beta-Bisabolene
Canonical SMILES: CC1=CCC(CC1)C(=C)CCC=C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0063
beta-Boswellic acid
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0064
beta-Bourbonene
Canonical SMILES: CC(C)C1CCC2(C1C3C2CCC3=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0065
beta-Cadinene
Canonical SMILES: CC1=CCC2C(C1)C(CC=C2C)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0066
Beta-Carotene
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0068
beta-Cedrene
Canonical SMILES: CC1CCC2C13CCC(=C)C(C3)C2(C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0069
beta-Chamigrene
Canonical SMILES: CC1=CCC2(CC1)C(=C)CCCC2(C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0070
beta-Citraurin
Canonical SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0072
beta-Cubebene
Canonical SMILES: CC1CCC(C2C13C2C(=C)CC3)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0077
beta-Eudesmol
Canonical SMILES: CC12CCCC(=C)C1CC(CC2)C(C)(C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0078
beta-Gurjunene
Canonical SMILES: CC1CCC2C(C2(C)C)C3C1CCC3=C
Class: Prenol lipids
Disease: AD
PCNDIDB0079
beta-Himachalene
Canonical SMILES: CC1=CC2C(=C(CCCC2(C)C)C)CC1
Class: Prenol lipids
Disease: AD
PCNDIDB0080
beta-Humulene
Canonical SMILES: CC1=CCC(C=CCC(=C)CCC1)(C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0083
beta-Irone
Canonical SMILES: CC1CCC(=C(C1(C)C)C=CC(=O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0084
beta-Oplopenone
Canonical SMILES: CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDB0087
beta-Phellandrene
Canonical SMILES: CC(C)C1CCC(=C)C=C1
Class: Prenol lipids
Disease: AD
PCNDIDB0088
beta-Pinene
Canonical SMILES: CC1(C2CCC(=C)C1C2)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0089
beta-Rotunol
Canonical SMILES: CC1=CC(=O)CC2(C1(CC(CC2)C(=C)C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDB0090
beta-Santalene
Canonical SMILES: CC(=CCCC1(C2CCC(C2)C1=C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDB0091
beta-Selinene
Canonical SMILES: CC(=C)C1CCC2(CCCC(=C)C2C1)C
Class: Prenol lipids
Disease: AD
PCNDIDB0092
Beta-Sitosterol
Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDB0093
beta-Terpinene
Canonical SMILES: CC(C)C1=CCC(=C)CC1
Class: Prenol lipids
Disease: AD
PCNDIDB0094
beta-Tocopherol
Canonical SMILES: CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDB0095
beta-Ursolic acid
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-]
Class: Prenol lipids
Disease: AD
PCNDIDB0099
Betulin
Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
Class: Prenol lipids
Disease: AD, PD, Meningitis
PCNDIDB0103
Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3R,5R)-
Canonical SMILES: CC(=O)OC1CC2CC(C1=C)C2(C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0108
Bilobalide
Canonical SMILES: CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O
Class: Prenol lipids
Disease: AD, PD, Meningitis
PCNDIDB0115
Bisacumol
Canonical SMILES: CC1=CC=C(C=C1)C(C)CC(C=C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDB0121
Bixin
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)OC)C=CC=C(C)C=CC(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDB0128
Borjatriol
Canonical SMILES: CC1(CCCC2(C1CC(C3(C2CCC(O3)(C)C(CO)O)C)O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0129
Bornyl acetate
Canonical SMILES: CC(=O)OC1CC2CCC1(C2(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDB0143
Bufalin
Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O
Class: Steroids and steroid derivatives
Disease: Encephalitits, Huntington disease
PCNDIDB0151
Butyl butyrate
Canonical SMILES: CCCCOC(=O)CCC
Class: Fatty Acyls
Disease: AD
PCNDIDB0154
Butyl isovalerate
Canonical SMILES: CCCCOC(=O)CC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDB0161
Butyric Acid
Canonical SMILES: CCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0002
Cabraleadiol
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0003
Cadalene
Canonical SMILES: CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0004
Cadina-1(10),4-diene
Canonical SMILES: CC1=CC2C(CCC(=C2CC1)C)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0019
Campesterol
Canonical SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDC0020
Campesteryl ferulate
Canonical SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDC0021
Camphene
Canonical SMILES: CC1(C2CCC(C2)C1=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0022
Camphor
Canonical SMILES: CC1(C2CCC1(C(=O)C2)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0027
Cannabidiol
Canonical SMILES: CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O
Class: Prenol lipids
Disease: AD, PD, Epilepsy, Encephalitits, Huntington disease, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDC0029
Cannabigerol
Canonical SMILES: CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0035
Capillanol
Canonical SMILES: CC(CC#CCC1=CC=CC=C1)O
Class: Fatty Acyls
Disease: PD, Huntington disease
PCNDIDC0042
Capsanthin
Canonical SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0043
Capsianoside D
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0044
Capsianoside I
Canonical SMILES: CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0045
Capsianside C
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0046
Caradrin
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
Class: Steroids and steroid derivatives
Disease: Huntington disease
PCNDIDC0048
Carbenoxolone
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0049
Carboxyatractyloside
Canonical SMILES: CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0053
Carnosic acid
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDC0055
Carnosol
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O
Class: Prenol lipids
Disease: AD, PD, Huntington disease
PCNDIDC0056
Carotol
Canonical SMILES: CC1=CCC2(CCC(C2(CC1)O)C(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0059
Carvacrol
Canonical SMILES: CC1=C(C=C(C=C1)C(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0060
Carvacrol methyl ether
Canonical SMILES: CC1=C(C=C(C=C1)C(C)C)OC
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0061
Carvacryl acetate
Canonical SMILES: CC1=C(C=C(C=C1)C(C)C)OC(=O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0062
Carveol
Canonical SMILES: CC1=CCC(CC1O)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0063
Carvone
Canonical SMILES: CC1=CCC(CC1=O)C(=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0064
Carvotanacetone
Canonical SMILES: CC1=CCC(CC1=O)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0066
Caryophyllene
Canonical SMILES: CC1=CCCC(=C)C2CC(C2CC1)(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0067
Caryophyllene oxide
Canonical SMILES: CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0068
Caryophyllenyl alcohol
Canonical SMILES: CC1CCC(C(=CCC2C1CC2(C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0070
Cassinine
Canonical SMILES: CCC1CCC(=O)OC2C(C34C(C(C(C(C3(C(C2OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C(O4)(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDC0080
Caudoside
Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(=O)C(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O
Class: Steroids and steroid derivatives
Disease: Epilepsy
PCNDIDC0083
Cedr-8-en-13-ol
Canonical SMILES: CC1CCC2C13CC=C(C(C3)C2(C)CO)C
Class: Prenol lipids
Disease: AD
PCNDIDC0084
Cedrelanol
Canonical SMILES: CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0086
Cedrol
Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0089
Celastrol
Canonical SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
Class: Prenol lipids
Disease: AD, PD, Huntington disease, Meningitis
PCNDIDC0096
Chamazulene
Canonical SMILES: CCC1=CC2=C(C=CC2=C(C=C1)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0097
Chamissonin diacetate
Canonical SMILES: CC1=CCC(C(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C)C)OC(=O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0109
Chenodeoxycholic acid
Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDC0114
Chlorogenin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)O)C)C)OC1
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0116
Cholesterol
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDC0118
Chrysanthemol
Canonical SMILES: CC(=CC1C(C1(C)C)CO)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0130
Cichoralexin
Canonical SMILES: CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0133
CID 10044294
Canonical SMILES: CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0134
CID 10102
Canonical SMILES: CC1(C=CC23C1CCC(C2)(CCC3)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0135
CID 101357919
Canonical SMILES: CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)OC(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDC0136
CID 101672279
Canonical SMILES: CC1C2C(C(C3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)OC1(CCC(C)C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDC0137
CID 10971931
Canonical SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
Class: Prenol lipids
Disease: PD
PCNDIDC0141
CID 14160551
Canonical SMILES: CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5O)C(=O)O)OC2=O)O
Class: Prenol lipids
Disease: AD
PCNDIDC0142
CID 15560278
Canonical SMILES: CC1CCC=C2C1(C3C(C3(C)C)CC2)C
Class: Prenol lipids
Disease: AD
PCNDIDC0144
CID 179413
Canonical SMILES: CC1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C
Class: Prenol lipids
Disease: AD
PCNDIDC0146
CID 21119906
Canonical SMILES: CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O
Class: Prenol lipids
Disease: AD
PCNDIDC0150
CID 432951
Canonical SMILES: CC1CC(=O)C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)CO
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0151
CID 442984
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: PD
PCNDIDC0152
CID 5200420
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
Class: Steroids and steroid derivatives
Disease: PD
PCNDIDC0153
CID 5281441
Canonical SMILES: CC1C(O1)(C)C(=O)OC2C3C(C4C(O4)(CCC=C(C2OC(=O)C)C(=O)OC)C)OC(=O)C3=C
Class: Prenol lipids
Disease: AD
PCNDIDC0154
CID 5281560
Canonical SMILES: CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0158
CID 74607
Canonical SMILES: CCCCCCC=CC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0175
cis-10-Heptadecenoic acid
Canonical SMILES: CCCCCCC=CCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0176
cis-10-Nonadecenoic acid
Canonical SMILES: CCCCCCCCC=CCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0177
cis-11-Eicosenoic acid
Canonical SMILES: CCCCCCCCC=CCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0178
cis-13-Octadecenoic acid
Canonical SMILES: CCCCC=CCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0183
cis-5,8,11,14,17-Eicosapentaenoic acid methyl ester
Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDC0184
cis-5-Hydroxy-p-menth-1(6)-en-2-one
Canonical SMILES: CC1=CC(C(CC1=O)C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0185
cis-7-Hexadecenoic Acid methyl ester
Canonical SMILES: CCCCCCCCC=CCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDC0187
cis-beta-Farnesene
Canonical SMILES: CC(=CCCC(=CCCC(=C)C=C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0192
cis-Vaccenic acid
Canonical SMILES: CCCCCCC=CCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0193
cis-Verbenyl acetate
Canonical SMILES: CC1=CC(C2CC1C2(C)C)OC(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDC0194
Citral
Canonical SMILES: CC(=CCCC(=CC=O)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0197
Citronellal
Canonical SMILES: CC(CCC=C(C)C)CC=O
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDC0198
Citronellol
Canonical SMILES: CC(CCC=C(C)C)CCO
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0206
Cnicin
Canonical SMILES: CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)C(CO)O)C(=C)C(=O)O2)CO
Class: Prenol lipids
Disease: AD
PCNDIDC0217
Coenzyme Q10
Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0218
Coixenolide
Canonical SMILES: CCCCCCC=CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCCC=CCCCCCC
Class: Fatty Acyls
Disease: AD, PD
PCNDIDC0222
Collinin
Canonical SMILES: CC(=CCCC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0223
Colubrin
Canonical SMILES: CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)O)O)O)OC(=O)C)C)(C)O)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDC0224
Colubrinoside
Canonical SMILES: CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)OC(=O)C)OC9C(C(C(CO9)O)O)O)O)OC(=O)C)C)(C)O)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDC0229
Commersonine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDC0230
Commiferin
Canonical SMILES: CC1=C2CC3C(=C)CC(CC3(CC2OC1=O)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0231
Condelphine
Canonical SMILES: CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)O)COC
Class: Prenol lipids
Disease: AD
PCNDIDC0236
Copaene
Canonical SMILES: CC1=CCC2C3C1C2(CCC3C(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0244
Cornudentanone
Canonical SMILES: CCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
Class: Fatty Acyls
Disease: AD
PCNDIDC0260
Costic acid
Canonical SMILES: CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDC0261
Costunolide
Canonical SMILES: CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C
Class: Prenol lipids
Disease: AD
PCNDIDC0268
Crocetin
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0269
Crocin
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0272
Crotonic acid
Canonical SMILES: CC=CC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0276
Cryptotanshinone
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0281
Cucurbitacin B
Canonical SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDC0284
Cuparene
Canonical SMILES: CC1=CC=C(C=C1)C2(CCCC2(C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0287
Curcumadiol
Canonical SMILES: CC(C)C1=CCC(C2CCC(C2C1)(C)O)(C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0288
Curcumenol
Canonical SMILES: CC1CCC2C13CC(=C(C)C)C(O3)(C=C2C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0290
Curcumol
Canonical SMILES: CC1CCC2C13CC(C(O3)(CC2=C)O)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0292
Curlone
Canonical SMILES: CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1
Class: Prenol lipids
Disease: AD
PCNDIDC0294
Curzerene
Canonical SMILES: CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0296
Cussonoside A
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)O)C)(C)C)O)O)O)CO)O)O)O
Class: Prenol lipids
Disease: Epilepsy
PCNDIDC0305
Cycloartenol
Canonical SMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDC0307
Cyclobuxine D
Canonical SMILES: CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5=C)NC)C)C)O)NC
Class: Prenol lipids
Disease: AD
PCNDIDC0309
Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E,9Z)-
Canonical SMILES: CC1=CCC2=C(CC(=CCC1)C)OC=C2C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0311
Cyclofenchene
Canonical SMILES: CC1(C2CC3C1C3(C2)C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDC0312
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
Canonical SMILES: CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
Class: Prenol lipids
Disease: AD
PCNDIDC0313
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
Canonical SMILES: CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0315
Cyclokoreanine B
Canonical SMILES: CC(C1C(CC2(C1(C=CC34C2CCC5C3(C4)CCC(C5(C)C)N(C)C)C)C)O)NC
Class: Prenol lipids
Disease: AD
PCNDIDC0320
Cyclosadol
Canonical SMILES: CC(C)C(=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDC0321
Cyclosiversioside F
Canonical SMILES: CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C
Class: Steroids and steroid derivatives
Disease: Meningitis
PCNDIDC0323
Cynaropicrin
Canonical SMILES: C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO
Class: Prenol lipids
Disease: AD
PCNDIDC0325
Cyperene
Canonical SMILES: CC1CCC2CC3=C(CCC13C2(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0004
Daigremontianin
Canonical SMILES: CC12C(CCC1(C3CCC45CC6CC(C4(C3C(C2=O)O)C=O)OC(O6)(O5)C)O)C7=COC(=O)C=C7
Class: Steroids and steroid derivatives
Disease: Epilepsy
PCNDIDD0009
Danshenol A
Canonical SMILES: CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
Class: Prenol lipids
Disease: AD
PCNDIDD0010
Danshenol B
Canonical SMILES: CC1COC2=C1C(=O)C(C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O
Class: Prenol lipids
Disease: AD
PCNDIDD0016
Daucene
Canonical SMILES: CC1=CCC2(CCC(=C2CC1)C(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0027
Degalactotigonin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1
Class: Steroids and steroid derivatives
Disease: AD, Meningitis, Myasthenia Gravis
PCNDIDD0028
Dehydroagastol
Canonical SMILES: CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C
Class: Prenol lipids
Disease: AD
PCNDIDD0030
Dehydroaromadendrene
Canonical SMILES: CC1CCC2C1C3C(C3(C)C)CC=C2C
Class: Prenol lipids
Disease: AD
PCNDIDD0031
Dehydrobaimuxinol
Canonical SMILES: CC1(C2CCC3(CCC=C(C3(C2)O1)CO)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0032
Dehydrocommersonine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDD0036
Dehydrocostus lactone
Canonical SMILES: C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0043
Dehydromiltirone
Canonical SMILES: CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0048
Dehydrotanshinone II A
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0049
Dehydrovomifoliol
Canonical SMILES: CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0054
delta-5-Avenasterol
Canonical SMILES: CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDD0056
delta-Guaiene
Canonical SMILES: CC1CCC2=C(CCC(CC12)C(=C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0057
delta-Selinene
Canonical SMILES: CC1=C2C=C(CCC2(CCC1)C)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0059
delta-Tocopherol
Canonical SMILES: CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDD0060
delta-Tocotrienol
Canonical SMILES: CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDD0067
Demissidine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDD0068
Demissine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDD0073
Denudaquinol
Canonical SMILES: CC(=CCCC(=CCC1=C(C(=CC(=C1)O)CC(=O)OC)O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0075
Deoxyandrographolide
Canonical SMILES: CC1=C(C2(CCC(C(C2CC1)(C)CO)O)C)CCC3=CCOC3=O
Class: Prenol lipids
Disease: AD
PCNDIDD0076
Deoxyarteannuin B
Canonical SMILES: CC1CCC2C(=C)C(=O)OC23C1CCC(=C3)C
Class: Prenol lipids
Disease: AD
PCNDIDD0077
Deoxycholic Acid
Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDD0078
Deoxyneocryptotanshinone
Canonical SMILES: CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0086
Desmosterol
Canonical SMILES: CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDD0095
Diammonium glycyrrhizinate
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N.N
Class: Prenol lipids
Disease: AD
PCNDIDD0113
Didrovaltrate
Canonical SMILES: CC(C)CC(=O)OCC1=COC(C2C1CC(C23CO3)OC(=O)C)OC(=O)CC(C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDD0122
Dihomo-gamma-linolenic acid
Canonical SMILES: CCCCCC=CCC=CCC=CCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDD0123
Dihydro-beta-agarofuran
Canonical SMILES: CC1CCCC2(C13CC(CC2)C(O3)(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0129
Dihydro-epi-deoxyarteannuin B
Canonical SMILES: CC1CCC2C(C(=O)OC23C1CCC(=C3)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0130
Dihydrofukinolide
Canonical SMILES: CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0131
Dihydrohelenalin
Canonical SMILES: CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)O
Class: Prenol lipids
Disease: AD
PCNDIDD0137
Dihydronepetalactone
Canonical SMILES: CC1CCC2C1C(=O)OCC2C
Class: Prenol lipids
Disease: AD
PCNDIDD0141
Dihydrotanshinone I
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0151
Diosbulbin F
Canonical SMILES: CC12CC(OC(=O)C1CC(=O)C3C2CC(CC3C(=O)OC)O)C4=COC=C4
Class: Prenol lipids
Disease: AD
PCNDIDD0152
Dioscin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
Class: Steroids and steroid derivatives
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDD0153
Diosgenin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0156
Diosphenol
Canonical SMILES: CC1=C(C(=O)C(CC1)C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDD0161
Dithymoquinone
Canonical SMILES: CC(C)C1=CC(=O)C2(C(C1=O)C3(C2C(=O)C(=CC3=O)C(C)C)C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDD0165
Divaricoside
Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O
Class: Steroids and steroid derivatives
Disease: Epilepsy
PCNDIDD0166
DL-alpha-Tocopherol
Canonical SMILES: CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDD0168
D-Limonene
Canonical SMILES: CC1=CCC(CC1)C(=C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDD0171
Docosapentaenoic acid
Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDD0173
Dodecatetraenamide, N-(2-methylpropyl)-
Canonical SMILES: CCCC=CC=CC=CC=CC(=O)NCC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDD0179
d-Piperitone
Canonical SMILES: CC1=CC(=O)C(CC1)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDE0004
Edpetiline
Canonical SMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)(C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDE0008
Eicosa-5-enoic acid
Canonical SMILES: CCCCCCCCCCCCCCC=CCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDE0011
Elatine
Canonical SMILES: CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC)OC)COC(=O)C8=CC=CC=C8N9C(=O)CC(C9=O)C
Class: Prenol lipids
Disease: AD
PCNDIDE0013
Elemol
Canonical SMILES: CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
Class: Prenol lipids
Disease: AD
PCNDIDE0024
Enoxolone
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDE0027
Epanova
Canonical SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O.CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O.CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDE0033
epi-Cubenol
Canonical SMILES: CC1CCC(C2C1(CCC(=C2)C)O)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDE0037
Epilupeol acetate
Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDE0043
Epishyobunone
Canonical SMILES: CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C
Class: Prenol lipids
Disease: AD
PCNDIDE0045
epsilon-Cadinene
Canonical SMILES: CC(C)C1CCC(=C)C2C1CC(=C)CC2
Class: Prenol lipids
Disease: AD
PCNDIDE0052
Erucic Acid
Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, PD
PCNDIDE0062
Erythronilic acid
Canonical SMILES: CC(C(C)O)C(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDE0063
Escin
Canonical SMILES: CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDE0064
escin Ib
Canonical SMILES: CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDE0069
Estradiol
Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDE0071
Estriol
Canonical SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDE0072
Estrone
Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDE0078
Ethyl 3,3-dimethylacrylate
Canonical SMILES: CCOC(=O)C=C(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDE0086
Ethyl butyrate
Canonical SMILES: CCCC(=O)OCC
Class: Fatty Acyls
Disease: AD
PCNDIDE0089
Ethyl dodecanoate
Canonical SMILES: CCCCCCCCCCCC(=O)OCC
Class: Fatty Acyls
Disease: AD
PCNDIDE0093
Ethyl Linoleate
Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC
Class: Fatty Acyls
Disease: AD
PCNDIDE0094
Ethyl linolenate
Canonical SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OCC
Class: Fatty Acyls
Disease: AD
PCNDIDE0095
Ethyl oleate
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC
Class: Fatty Acyls
Disease: AD, Huntington disease
PCNDIDE0103
Eucarvone
Canonical SMILES: CC1=CC=CC(CC1=O)(C)C
Class: Prenol lipids
Disease: AD
PCNDIDE0106
Eucommiol
Canonical SMILES: C1C(C(C(=C1CO)CO)CCO)O
Class: Prenol lipids
Disease: AD
PCNDIDE0110
Eupaformosanin
Canonical SMILES: CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCO)CO)C(=C)C(=O)O2)C)OC(=O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDE0111
Eupahyssopin
Canonical SMILES: CC1=CCCC2(C(O2)C3C(C(C1)OC(=O)C(=CCO)C)C(=C)C(=O)O3)CO
Class: Prenol lipids
Disease: AD
PCNDIDE0115
Eupatolide
Canonical SMILES: CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2
Class: Prenol lipids
Disease: AD
PCNDIDE0119
Euponin
Canonical SMILES: CC=C(C)C(=O)OC1CC(=C2CC3C(C2C4C1C(=C)C(=O)O4)(O3)C)CO
Class: Prenol lipids
Disease: AD
PCNDIDE0125
Evodol
Canonical SMILES: CC1(C2=C(C(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDF0003
Falcarindiol
Canonical SMILES: CCCCCCCC=CC(C#CC#CC(C=C)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDF0004
Falcarinol
Canonical SMILES: CCCCCCCC=CCC#CC#CC(C=C)O
Class: Fatty Acyls
Disease: AD
PCNDIDF0007
Farnesol
Canonical SMILES: CC(=CCCC(=CCCC(=CCO)C)C)C
Class: Prenol lipids
Disease: AD, PD, Meningitis
PCNDIDF0009
Fastigilin B
Canonical SMILES: CC1C2C=CC(=O)C2(C(C3C(C(=O)OC3C1O)C)OC(=O)C=C(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDF0010
Fenchone
Canonical SMILES: CC1(C2CCC(C2)(C1=O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDF0011
Fenchyl acetate
Canonical SMILES: CC(=O)OC1C(C2CCC1(C2)C)(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDF0017
Ferruginol
Canonical SMILES: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDF0040
Forskolin
Canonical SMILES: CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDF0051
Friedelin
Canonical SMILES: CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDF0053
Fucoxanthin
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C
Class: Prenol lipids
Disease: AD
PCNDIDF0058
Furanodienone
Canonical SMILES: CC1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C
Class: Prenol lipids
Disease: PD
PCNDIDF0059
Futoquinol
Canonical SMILES: CC(=CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC
Class: Prenol lipids
Disease: AD
PCNDIDG0001
Gaillardin
Canonical SMILES: CC1=CC2C(CC3C1C(CC3(C)O)OC(=O)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0018
gamma-Curcumene
Canonical SMILES: CC1=CC=C(CC1)C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0020
gamma-Linolenic acid
Canonical SMILES: CCCCCC=CCC=CCC=CCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDG0022
gamma-Oryzanol
Canonical SMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDG0023
gamma-Selinene
Canonical SMILES: CC(=C1CCC2(CCCC(=C)C2C1)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0025
gamma-Terpineol
Canonical SMILES: CC(=C1CCC(CC1)(C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDG0026
gamma-Terpinyl acetate
Canonical SMILES: CC(=C1CCC(CC1)(C)OC(=O)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0027
gamma-Tocopherol
Canonical SMILES: CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDG0028
gamma-Tocotrienol
Canonical SMILES: CC1=C(C=C2CCC(OC2=C1C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0039
Gedunine
Canonical SMILES: CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C
Class: Prenol lipids
Disease: Encephalitits, Meningitis
PCNDIDG0043
Genipin
Canonical SMILES: COC(=O)C1=COC(C2C1CC=C2CO)O
Class: Prenol lipids
Disease: AD
PCNDIDG0044
Geniposide
Canonical SMILES: COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0045
Geniposidic acid
Canonical SMILES: C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
Class: Prenol lipids
Disease: AD
PCNDIDG0058
Geraniol
Canonical SMILES: CC(=CCCC(=CCO)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0059
Geranyl isobutyrate
Canonical SMILES: CC(C)C(=O)OCC=C(C)CCC=C(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDG0060
Geranyl propionate
Canonical SMILES: CCC(=O)OCC=C(C)CCC=C(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDG0061
Geranylgeraniol
Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDG0062
Germacra-1(10),4,11(13)-triene-12,14-dioic acid, 2-beta,6-alpha,8-alpha-trihydroxy-, 12,6:14,2-dilactone, methacrylate, (E)-
Canonical SMILES: CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDG0063
Germacrene D
Canonical SMILES: CC1=CCCC(=C)C=CC(CC1)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDG0064
Gibberellin A7
Canonical SMILES: CC12C(C=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O
Class: Prenol lipids
Disease: AD
PCNDIDG0065
Gibberellin A95
Canonical SMILES: CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O
Class: Prenol lipids
Disease: AD
PCNDIDG0066
gibberellin A97
Canonical SMILES: CC12CC(CC(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)[O-])(C)C(=O)[O-])O
Class: Prenol lipids
Disease: Epilepsy
PCNDIDG0074
Ginkgolide B
Canonical SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
Class: Prenol lipids
Disease: AD, Encephalitits, Meningitis
PCNDIDG0075
ginkgolide-A
Canonical SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
Class: Prenol lipids
Disease: AD
PCNDIDG0076
ginkgolide-C
Canonical SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
Class: Prenol lipids
Disease: AD
PCNDIDG0077
ginkgolide-J
Canonical SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
Class: Prenol lipids
Disease: AD
PCNDIDG0078
Ginsenoside F1
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDG0079
Ginsenoside rb1
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C
Class: Prenol lipids
Disease: PD
PCNDIDG0080
Ginsenoside Rf
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDG0081
Ginsenoside RG1
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C
Class: Prenol lipids
Disease: Meningitis
PCNDIDG0082
Ginsenoside Rh2
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C
Class: Prenol lipids
Disease: AD, Huntington disease, Myasthenia Gravis
PCNDIDG0083
Ginsenoside Ro
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDG0084
ginsenoside-Rd
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDG0085
Ginsenosides
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDG0086
Ginsenoyne A
Canonical SMILES: C=CCCCCCC1C(O1)CC#CC#CC(C=C)O
Class: Fatty Acyls
Disease: AD
PCNDIDG0088
Ginsenoyne D
Canonical SMILES: CCCCCCCC1C(O1)CC#CC#CC(CC)O
Class: Fatty Acyls
Disease: AD
PCNDIDG0091
Gitogenin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0098
Glechomanolide
Canonical SMILES: CC1=CCC2=C(C(=O)OC2CC(=CCC1)C)C
Class: Prenol lipids
Disease: AD
PCNDIDG0119
Glycyrrhetinic acid
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
Class: Prenol lipids
Disease: AD, PD, Huntington disease
PCNDIDG0122
Glycyrrhizic acid
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C
Class: Prenol lipids
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDG0123
Glycyrrhizic Acid Monoammonium Salt
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[NH4+]
Class: Prenol lipids
Disease: AD
PCNDIDG0127
Gnaphalin
Canonical SMILES: CC1CC(=O)C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)CO
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDG0140
Gossypol
Canonical SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O
Class: Prenol lipids
Disease: AD, PD, Meningitis
PCNDIDG0146
Grifolin
Canonical SMILES: CC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)CCC=C(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0148
Guaiazulene
Canonical SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0149
Guaiene
Canonical SMILES: CC1CCC(=C(C)C)CC2=C1CCC2C
Class: Prenol lipids
Disease: AD, PD
PCNDIDG0150
Guggulsterol II
Canonical SMILES: CC(C)CCCC(C)(C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDG0151
Guggulsterol IV
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCC(=O)C4)C)O)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDG0152
Guggulsterone
Canonical SMILES: CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDH0003
Hancinone C
Canonical SMILES: CC(=CC1=CC(=C(C(=C1)OC)OC)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC
Class: Prenol lipids
Disease: AD
PCNDIDH0009
Harpagoside
Canonical SMILES: CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4
Class: Prenol lipids
Disease: AD, PD
PCNDIDH0010
Hederagenin
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDH0014
Heptadecanoic acid
Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDH0032
Himachalol
Canonical SMILES: CC1=CC2C(CC1)C(CCCC2(C)C)(C)O
Class: Prenol lipids
Disease: Epilepsy
PCNDIDH0044
Hispanolone
Canonical SMILES: CC1C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C
Class: Prenol lipids
Disease: AD, PD, Huntington disease
PCNDIDH0049
Holaphylline
Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDH0051
Homobaldrinal
Canonical SMILES: CC(C)CC(=O)OCC1=COC=C2C1=CC=C2C=O
Class: Fatty Acyls
Disease: Epilepsy
PCNDIDH0074
Hypaconitine
Canonical SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC
Class: Prenol lipids
Disease: AD, PD
PCNDIDH0076
Hyperforin
Canonical SMILES: CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C
Class: Prenol lipids
Disease: PD, Epilepsy, Meningitis
PCNDIDI0003
Icaceine
Canonical SMILES: CC12CCC(C3(C1C(C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O
Class: Steroids and steroid derivatives
Disease: Epilepsy
PCNDIDI0005
Icariside C(1)
Canonical SMILES: CC(=CCCC(C)(C=C)O)CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDI0008
Icosapent
Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDI0012
Imperialine
Canonical SMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O
Class: Steroids and steroid derivatives
Disease: PD, Epilepsy
PCNDIDI0036
Isaconitine;Pikraconitin
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDI0040
Isoalantolactone
Canonical SMILES: CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDI0041
Isoamyl isovalerate
Canonical SMILES: CC(C)CCOC(=O)CC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDI0043
Isoaromadendrene epoxide
Canonical SMILES: CC1CCC2C1C3C(C3(C)C)CC4C2(O4)C
Class: Prenol lipids
Disease: AD
PCNDIDI0044
Isobaimuxinol
Canonical SMILES: CC1(C2CCC3(CCCC(C3(C2)O1)CO)C)C
Class: Prenol lipids
Disease: AD
PCNDIDI0050
Isobutyl isovalerate
Canonical SMILES: CC(C)CC(=O)OCC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDI0054
Isocaryophyllene
Canonical SMILES: CC1=CCCC(=C)C2CC(C2CC1)(C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDI0057
Isocryptotanshinone
Canonical SMILES: CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C
Class: Prenol lipids
Disease: AD
PCNDIDI0058
Isodeoxyelephantopin
Canonical SMILES: CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: AD, PD
PCNDIDI0059
Isodesacetyluvaricin
Canonical SMILES: CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDI0060
Isodihydrocostunolide
Canonical SMILES: CC1CCCC(=CC2C(CC1)C(=C)C(=O)O2)C
Class: Prenol lipids
Disease: AD
PCNDIDI0061
Isodihydrofutoquinol A
Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC
Class: Prenol lipids
Disease: AD, PD
PCNDIDI0080
Isoincensole acetate
Canonical SMILES: CC1=CCC2(CCC(O2)(C(CCC=CCC1)OC(=O)C)C)C(C)C
Class: Prenol lipids
Disease: Meningitis
PCNDIDI0097
Isopetasin
Canonical SMILES: CC=C(C)C(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C1C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDI0099
Isophytol
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
Class: Prenol lipids
Disease: AD
PCNDIDI0101
Isopimaric acid
Canonical SMILES: CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C
Class: Prenol lipids
Disease: AD
PCNDIDI0111
Isopulegol
Canonical SMILES: CC1CCC(C(C1)O)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDI0112
Isopulegone
Canonical SMILES: CC1CCC(C(=O)C1)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDI0119
Isorosmanol
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)C(=O)O3)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDI0126
Isotanshinone I
Canonical SMILES: CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C
Class: Prenol lipids
Disease: AD
PCNDIDI0128
Isotanshinone IIB
Canonical SMILES: CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)CO
Class: Prenol lipids
Disease: AD, PD
PCNDIDI0137
Isovaleric acid
Canonical SMILES: CC(C)CC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDI0142
Isozaluzanin C
Canonical SMILES: C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDI0143
Istanbulin-A
Canonical SMILES: CC1CCC(=O)C2C1(CC3=C(C(=O)OC3(C2)O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDJ0003
Jaligonic acid
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDJ0008
Jioglutin E
Canonical SMILES: CC1(CC(C2C1C(OC(C2)OC)OC)O)O
Class: Prenol lipids
Disease: AD
PCNDIDJ0009
Jioglutolide
Canonical SMILES: CC1(CC(C2C1COC(=O)C2)O)O
Class: Prenol lipids
Disease: AD
PCNDIDJ0012
Jujubogenin
Canonical SMILES: CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)O)C)(C)O)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDJ0013
Juniper camphor
Canonical SMILES: CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDK0024
Kaurenoic acid
Canonical SMILES: CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDL0006
Lacinilene C 7-methyl ether
Canonical SMILES: CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0010
Lagochilin
Canonical SMILES: CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDL0019
Lauric Acid
Canonical SMILES: CCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDL0023
Lauryl stearate
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
Class: Fatty Acyls
Disease: PD
PCNDIDL0024
Lawsaritol
Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDL0025
L-Borneol
Canonical SMILES: CC1(C2CCC1(C(C2)O)C)C
Class: Prenol lipids
Disease: PD
PCNDIDL0026
Ledane
Canonical SMILES: CC1CCC2C(C2(C)C)C3C1CCC3C
Class: Prenol lipids
Disease: AD
PCNDIDL0028
Ledol
Canonical SMILES: CC1CCC2C1C3C(C3(C)C)CCC2(C)O
Class: Prenol lipids
Disease: AD
PCNDIDL0030
Leojaponin
Canonical SMILES: CC1=C(C2(CCCC(C2=C(C1=O)O)(C)C)C)CCC3=COC=C3
Class: Prenol lipids
Disease: AD
PCNDIDL0032
Leonuridine
Canonical SMILES: CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDL0041
Levomenol
Canonical SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0061
Limonene
Canonical SMILES: CC1=CCC(CC1)C(=C)C
Class: Prenol lipids
Disease: AD, PD, Myasthenia Gravis
PCNDIDL0063
Limonin
Canonical SMILES: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C
Class: Prenol lipids
Disease: PD
PCNDIDL0064
Linalool
Canonical SMILES: CC(=CCCC(C)(C=C)O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0066
Linalyl acetate
Canonical SMILES: CC(=CCCC(C)(C=C)OC(=O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDL0067
Linalyl anthranilate
Canonical SMILES: CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0068
Linalyl isobutyrate
Canonical SMILES: CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0072
Lindestrene
Canonical SMILES: CC1=COC2=C1CC3C(=C)CC=CC3(C2)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0074
Linoleic Acid
Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: PD, Epilepsy
PCNDIDL0075
Linolenic Acid
Canonical SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDL0076
Linoleyl acetate
Canonical SMILES: CCCCCC=CCC=CCCCCCCCCOC(=O)C
Class: Fatty Acyls
Disease: Huntington disease
PCNDIDL0082
l-Menthol
Canonical SMILES: CC1CCC(C(C1)O)C(C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDL0087
Loganic acid
Canonical SMILES: CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDL0088
Loganin
Canonical SMILES: CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0100
Lupeol
Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0104
Lutein
Canonical SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDL0113
Lycopene
Canonical SMILES: CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
Class: Prenol lipids
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDL0114
Lycopersicin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDM0004
Madecassol
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDM0015
Malathion
Canonical SMILES: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
Class: Fatty Acyls
Disease: Epilepsy, Canavan
PCNDIDM0020
Malvalic acid
Canonical SMILES: CCCCCCCCC1=C(C1)CCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0027
Maslinic acid
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDM0040
Meldenin
Canonical SMILES: CC(=O)OC1C2C(C(=O)CCC2(C3CCC4(C(CC=C4C3(C1O)C)C5=COC=C5)C)C)(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDM0044
Menthol
Canonical SMILES: CC1CCC(C(C1)O)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDM0045
Menthyl acetate
Canonical SMILES: CC1CCC(C(C1)OC(=O)C)C(C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDM0046
Menthyl valerate
Canonical SMILES: CCCCC(=O)OC1CC(CCC1C(C)C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDM0049
Mesaconic acid
Canonical SMILES: CC(=CC(=O)O)C(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0050
Mesaconitine
Canonical SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
Class: Prenol lipids
Disease: AD
PCNDIDM0057
Methoxyacetic acid, 2-tridecyl ester
Canonical SMILES: CCCCCCCCCCCC(C)OC(=O)COC
Class: Fatty Acyls
Disease: AD
PCNDIDM0059
Methuyl tanshinonate
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC
Class: Prenol lipids
Disease: AD
PCNDIDM0060
methyl (12E,15E)-octadeca-12,15-dienoate
Canonical SMILES: CCC=CCC=CCCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0063
methyl (1R,4aR,7S,7aR)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
Canonical SMILES: COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Prenol lipids
Disease: AD, Epilepsy
PCNDIDM0064
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Canonical SMILES: COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDM0065
methyl (1S,4aS,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4'-[hydroxy-(4-hydroxyphenyl)methyl]-5'-oxospiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C3C(C=CC34C=C(C(=O)O4)C(C5=CC=C(C=C5)O)O)C(=CO2)C(=O)OC)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDM0066
methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
Canonical SMILES: COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDM0067
Methyl (2E,4E)-octadeca-2,4-dienoate
Canonical SMILES: CCCCCCCCCCCCCC=CC=CC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0068
Methyl (R)-2-methylbutanoate
Canonical SMILES: CCC(C)C(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0070
Methyl 10-octadecenoate
Canonical SMILES: CCCCCCCC=CCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: Huntington disease
PCNDIDM0071
Methyl 12-oxooctadec-9-enoate
Canonical SMILES: CCCCCCC(=O)CC=CCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0076
Methyl 2-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-EN-1-YL]cyclopentyl]acetate
Canonical SMILES: CCC=CCC1C(CCC1=O)CC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0086
Methyl 3-methyl-2-pentenoate
Canonical SMILES: CCC(=CC(=O)OC)C
Class: Fatty Acyls
Disease: AD
PCNDIDM0088
Methyl 5,8,11-heptadecatriynoate
Canonical SMILES: CCCCCC#CCC#CCC#CCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0089
Methyl 5-methylhexanoate
Canonical SMILES: CC(C)CCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0090
Methyl 9-cyclopropylnonanoate
Canonical SMILES: COC(=O)CCCCCCCCC1CC1
Class: Fatty Acyls
Disease: AD
PCNDIDM0094
Methyl arachidonate
Canonical SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0096
Methyl Carnosate
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)O)O
Class: Prenol lipids
Disease: AD
PCNDIDM0100
Methyl farnesoate
Canonical SMILES: CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDM0103
Methyl heptadecanoate
Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0104
Methyl icosa-11,14-dienoate
Canonical SMILES: CCCCCC=CCC=CCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0106
Methyl isovalerate
Canonical SMILES: CC(C)CC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0107
Methyl linoleate
Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0108
Methyl nonadecanoate
Canonical SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0109
Methyl oleate
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0110
Methyl palmitate
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0111
Methyl palmitelaidate
Canonical SMILES: CCCCCCC=CCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0114
Methyl ricinoleate
Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OC)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0116
Methyl vaccenate
Canonical SMILES: CCCCCCC=CCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0119
Methylenetanshinquinone
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDM0128
Miltipolone
Canonical SMILES: CC1=C(C(=O)C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDM0129
Miltirone
Canonical SMILES: CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O
Class: Prenol lipids
Disease: AD, PD
PCNDIDM0136
Molihuaside A
Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(CC3C(CO)CO)OC(=O)CC4C(=COC(C4=CC)OC5C(C(C(C(O5)CO)O)O)O)C(=O)OC)C
Class: Prenol lipids
Disease: AD
PCNDIDM0142
Monomethyl succinate
Canonical SMILES: COC(=O)CCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0165
Murolan-3,9(11)-diene-10-peroxy
Canonical SMILES: CC1C=CC(C2C1CCC(=C)C2OO)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDM0169
Myrcene
Canonical SMILES: CC(=CCCC(=C)C=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDM0175
Myristic Acid
Canonical SMILES: CCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0177
Myristoleic acid
Canonical SMILES: CCCCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0178
Myrrhanol A
Canonical SMILES: CC(=CCCC1C2(CCC(C(C2CCC1(C)O)(C)C)O)C)CCC=C(C)CCC=C(C)CO
Class: Prenol lipids
Disease: AD
PCNDIDN0006
N,N,N',N'-Tetramethylsuccinamide
Canonical SMILES: CN(C)C(=O)CCC(=O)N(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDN0023
Nardostachin
Canonical SMILES: CC1C(CC2C1C(OC=C2COC(=O)CC(C)C)OC(=O)CC(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDN0031
Neoandrographolide
Canonical SMILES: CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDN0042
Neoruscogenin
Canonical SMILES: CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6
Class: Prenol lipids
Disease: AD
PCNDIDN0044
Neotriptophenolide
Canonical SMILES: CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC4=C3COC4=O)C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDN0047
Nepetalactone trans-cis-form
Canonical SMILES: CC1CCC2C1C(=O)OC=C2C
Class: Prenol lipids
Disease: AD
PCNDIDN0049
Neral
Canonical SMILES: CC(=CCCC(=CC=O)C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDN0050
Nerol
Canonical SMILES: CC(=CCCC(=CCO)C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDN0051
Nerolidyl acetate
Canonical SMILES: CC(=CCCC(=CCCC(C)(C=C)OC(=O)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDN0052
Neryl acetate
Canonical SMILES: CC(=CCCC(=CCOC(=O)C)C)C
Class: Fatty Acyls
Disease: AD, PD
PCNDIDN0053
Neryl butyrate
Canonical SMILES: CCCC(=O)OCC=C(C)CCC=C(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDN0074
Nonanoic acid
Canonical SMILES: CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDN0075
Nootkatene
Canonical SMILES: CC1CC=CC2=CCC(CC12C)C(=C)C
Class: Prenol lipids
Disease: AD
PCNDIDN0079
Norbixin
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDN0102
Notoginsenoside R1
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C
Class: Prenol lipids
Disease: PD
PCNDIDN0103
Notopterol
Canonical SMILES: CC(=CC(CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDO0008
Octadecenoic acid
Canonical SMILES: CCCCCCCCCCCCCCCC=CC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDO0015
Oleamide
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)N
Class: Fatty Acyls
Disease: AD, Huntington disease
PCNDIDO0016
Oleanolic Acid
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDO0017
Oleanoside E
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDO0018
Oleic Acid
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, PD, Huntington disease
PCNDIDO0019
Oleoside
Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDO0020
Oleoside 11-methyl ester
Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDO0021
Oleuropein
Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O
Class: Prenol lipids
Disease: AD, PD, Meningitis
PCNDIDO0053
Oxyphyllol A
Canonical SMILES: CC(=C)C1CCC2(CCCC(C2=C1)(C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDP0003
Pachymic acid
Canonical SMILES: CC(C)C(=C)CCC(C1C(CC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDP0005
Paeoniflorin
Canonical SMILES: CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O
Class: Prenol lipids
Disease: AD, PD, Meningitis
PCNDIDP0010
Palmitic Acid
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD, Encephalitits, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDP0011
Palmitoleic Acid
Canonical SMILES: CCCCCCC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0015
Panaquinquecol 2
Canonical SMILES: CCCCCCCC1C(O1)C(C#CC#CC(C=C)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0016
Panaxytriol
Canonical SMILES: CCCCCCCC(C(CC#CC#CC(C=C)O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0022
Parthenicin
Canonical SMILES: CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C2=C
Class: Prenol lipids
Disease: AD
PCNDIDP0023
Parthenium
Canonical SMILES: CC1CC2C(CC=C1CCC(=O)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0024
Parthenolide
Canonical SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0025
Patchoulane
Canonical SMILES: CC1CCC23C1CC(C2(C)C)CCC3C
Class: Prenol lipids
Disease: AD
PCNDIDP0031
p-CYMENE
Canonical SMILES: CC1=CC=C(C=C1)C(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0037
Peiminine
Canonical SMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDP0040
Pellitorine
Canonical SMILES: CCCCCC=CC=CC(=O)NCC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDP0043
Pentadecanoic acid
Canonical SMILES: CCCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0050
Perillyl acetate
Canonical SMILES: CC(=C)C1CCC(=CC1)COC(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDP0051
Periplocoside O
Canonical SMILES: CC1C=C(C(=O)C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5(C(C)OC6CC(C(C(O6)C)O)OCOC)O)C)C)OC
Class: Steroids and steroid derivatives
Disease: Myasthenia Gravis
PCNDIDP0053
Permethrin
Canonical SMILES: CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
Class: Fatty Acyls
Disease: AD
PCNDIDP0054
Persenone A
Canonical SMILES: CCCCCC=CCC=CCCCCCC=CC(=O)CC(COC(=O)C)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0055
Persenone B
Canonical SMILES: CCCCCCCCCCCCCC=CC(=O)CC(COC(=O)C)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0056
Peruviol
Canonical SMILES: CC(=CCCC(=CCCC(C)(C=C)O)C)C
Class: Prenol lipids
Disease: PD
PCNDIDP0057
Petasin
Canonical SMILES: CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDP0073
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4CO)O
Class: Prenol lipids
Disease: AD
PCNDIDP0077
Phenethyl octanoate
Canonical SMILES: CCCCCCCC(=O)OCCC1=CC=CC=C1
Class: Fatty Acyls
Disease: AD
PCNDIDP0107
Phytol [FHFI]
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
Class: Prenol lipids
Disease: AD
PCNDIDP0108
Phytonadione
Canonical SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Class: Prenol lipids
Disease: AD
PCNDIDP0117
Pinguisone
Canonical SMILES: CC1CC(=O)C2(C1(CC3=C(C2C)C=CO3)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0125
Piperitenone
Canonical SMILES: CC1=CC(=O)C(=C(C)C)CC1
Class: Prenol lipids
Disease: AD
PCNDIDP0136
Plumieride
Canonical SMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O
Class: Prenol lipids
Disease: AD
PCNDIDP0137
p-Menth-3-en-1-ol
Canonical SMILES: CC(C)C1=CCC(CC1)(C)O
Class: Prenol lipids
Disease: AD
PCNDIDP0138
p-Mentha-1,3,8-triene
Canonical SMILES: CC1=CC=C(CC1)C(=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0139
p-Mentha-1,5-dien-8-ol
Canonical SMILES: CC1=CCC(C=C1)C(C)(C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0140
p-Menthan-3-one
Canonical SMILES: CC1CCC(C(=O)C1)C(C)C
Class: Prenol lipids
Disease: AD, Meningitis
PCNDIDP0155
Pregnenolone
Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Class: Steroids and steroid derivatives
Disease: Huntington disease
PCNDIDP0156
Prehispanolone
Canonical SMILES: CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0157
Preleoheterin
Canonical SMILES: CC1C(C(=O)C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDP0159
Pristimerin
Canonical SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDP0160
Procurcumadiol
Canonical SMILES: CC1=CC(=O)C(=C(C)C)CC2(C1CCC2(C)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0161
Procurcumenol
Canonical SMILES: CC1=CC(=O)C(=C(C)C)CC2C1CCC2(C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0165
Progesterone
Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Class: Steroids and steroid derivatives
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDP0177
Propyl isovalerate
Canonical SMILES: CCCOC(=O)CC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDP0178
Propyleneglycol monoleate
Canonical SMILES: CCCCCCCCCC=CCCCCCCC(=O)OCCCO
Class: Fatty Acyls
Disease: AD
PCNDIDP0179
prostaglandin A1
Canonical SMILES: CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0181
Prostratin
Canonical SMILES: CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C
Class: Prenol lipids
Disease: AD
PCNDIDP0192
Przewalskin C
Canonical SMILES: CC(C)C1=C(C(=C2CC3=CCCC(C3CC(C2=C1)OC)(C)C)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0193
Przewalskin D
Canonical SMILES: CC(C)C1=C(C(=C2C=C3C=CCC(C3CCC2=C1)(C)C)O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0194
Przewaquinone A
Canonical SMILES: CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4CO)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDP0195
Przewaquinone B
Canonical SMILES: CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4CO
Class: Prenol lipids
Disease: AD
PCNDIDP0201
Psilostachyin A
Canonical SMILES: CC1CCC2C(C(C13CCC(=O)O3)(C)O)OC(=O)C2=C
Class: Prenol lipids
Disease: AD
PCNDIDP0215
Pulegone
Canonical SMILES: CC1CCC(=C(C)C)C(=O)C1
Class: Prenol lipids
Disease: AD
PCNDIDP0218
Punicic acid
Canonical SMILES: CCCCC=CC=CC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDP0219
Purapuridine
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDP0223
Pyretrin II
Canonical SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C
Class: Fatty Acyls
Disease: AD
PCNDIDP0226
Pyrocurzerenone
Canonical SMILES: CC1=CC2=C(CC1)C(=CC3=C2C(=CO3)C)C
Class: Prenol lipids
Disease: AD
PCNDIDQ0015
Quinovic acid
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDR0003
Regaloside B
Canonical SMILES: CC(=O)OCC(COC(=O)C=CC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
Class: Glycerolipids
Disease: AD
PCNDIDR0004
Regaloside D
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)OCC(CO)OC2C(C(C(C(O2)CO)O)O)O)O
Class: Glycerolipids
Disease: AD
PCNDIDR0005
Regaloside E
Canonical SMILES: CC(=O)OCC(COC(=O)C=CC1=CC(=C(C=C1)O)O)OC2C(C(C(C(O2)CO)O)O)O
Class: Glycerolipids
Disease: AD
PCNDIDR0006
rel-(2aR,4aS,8aS)-Decahydro-2,2,4a-trimethyl-8-methylenecyclobut[c]indene
Canonical SMILES: CC1(CC23C1CCC2(CCCC3=C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDR0017
Retinol
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDR0019
Reynosin
Canonical SMILES: CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C
Class: Prenol lipids
Disease: AD
PCNDIDR0029
Ricinoleic acid
Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)O)O
Class: Fatty Acyls
Disease: AD
PCNDIDR0031
Rimuene
Canonical SMILES: CC1(CCCC2C1=CCC3C2(CCC(C3)(C)C=C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDR0037
Rosmanol
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDR0038
Rosmaridiphenol
Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C(C2=O)CCCC3(C)C)O)O
Class: Prenol lipids
Disease: AD
PCNDIDR0042
Rotundenol
Canonical SMILES: CC1CCC2C1CC3CCC2(C(C3=C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDR0049
Ruscogenin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C)OC1
Class: Prenol lipids
Disease: AD
PCNDIDS0006
Saikosaponin D
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0028
Salviolone
Canonical SMILES: CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0029
Sambacein I
Canonical SMILES: CC=C(C=O)C(CC=O)CC(=O)OCC1C(C(CC1C(CO)COC(=O)CC(CC=O)C(=CC)C=O)OC(=O)CC(CC=O)C(=CC)C=O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0039
Santalol
Canonical SMILES: CC(=CCCC1(C2CCC(C2)C1=C)C)CO
Class: Prenol lipids
Disease: AD
PCNDIDS0040
Santamarine
Canonical SMILES: CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0043
Saringosterol
Canonical SMILES: CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)(C=C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDS0056
Schizonepetoside A
Canonical SMILES: CC1CCC(C(=O)C1)C(=COC2C(C(C(C(O2)CO)O)O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0058
Schizonepetoside D
Canonical SMILES: CC1CCC(C(=O)C1)C(=C)COC2C(C(C(C(O2)CO)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0068
Secologanate
Canonical SMILES: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC=O
Class: Prenol lipids
Disease: AD
PCNDIDS0069
Secologanin
Canonical SMILES: COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0070
Secologanoside
Canonical SMILES: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0073
Selina-4(14),7(11)-dien-8-one
Canonical SMILES: CC(=C1CC2C(=C)CCCC2(CC1=O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDS0102
Shiromodiol diacetate
Canonical SMILES: CC1=CCCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0117
Sitogluside
Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDS0118
Sitoindoside IX
Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)COC7C(C(C(C(O7)CO)O)O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDS0123
Smilagenin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
Class: Prenol lipids
Disease: AD
PCNDIDS0125
Solamargine
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Class: Steroids and steroid derivatives
Disease: AD, Huntington disease
PCNDIDS0126
Solanidine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDS0127
Solanine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDS0147
Squalene
Canonical SMILES: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0152
Stearic Acid
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDS0153
Stearidonic acid
Canonical SMILES: CCC=CCC=CCC=CCC=CCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDS0162
stichloroside C1
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(CCC6(C5=CCC4C3(C)C)C)C(OC7=O)(C)CC(CC(C)C)OC(=O)C)C)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)OC)O)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(C(O1)CO)O)OC)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0163
Stigmasterol
Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDS0168
Suaveolic acid
Canonical SMILES: CC(C)C1CCC2=C(C1O)CCC3C2(CCCC3(C)C(=O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0169
Subergorgic acid
Canonical SMILES: CC1CC(=O)C23C1CCC2(C=C(C3C)C(=O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0174
Sugiol
Canonical SMILES: CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0006
Tanshinaldehyde
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0007
Tanshindiol C
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O
Class: Prenol lipids
Disease: AD
PCNDIDT0008
Tanshinol A
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CO
Class: Prenol lipids
Disease: AD
PCNDIDT0009
Tanshinol B
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O
Class: Prenol lipids
Disease: AD
PCNDIDT0010
Tanshinone I
Canonical SMILES: CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
Class: Prenol lipids
Disease: AD
PCNDIDT0011
Tanshinone IIA
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0012
Taraxasterol
Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
Class: Prenol lipids
Disease: AD
PCNDIDT0023
Teresantalol
Canonical SMILES: CC1(C2CC3C1(C3C2)C)CO
Class: Prenol lipids
Disease: AD
PCNDIDT0024
Terpinolene
Canonical SMILES: CC1=CCC(=C(C)C)CC1
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0050
Theobromine magnesium oleate
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)[O-].CN1C=NC2=C1C(=NC(=O)N2C)[O-].[Mg+2]
Class: Fatty Acyls
Disease: AD
PCNDIDT0053
Thevetin
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
Class: Steroids and steroid derivatives
Disease: Epilepsy
PCNDIDT0059
Thujone
Canonical SMILES: CC1C2CC2(CC1=O)C(C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDT0060
Thujopsadiene
Canonical SMILES: CC1=CCC2(CC=CC(C23C1C3)(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDT0061
Thujopsene
Canonical SMILES: CC1=CCC2(CCCC(C23C1C3)(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDT0063
Thymol
Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0064
Thymol acetate
Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)OC(=O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0067
Tiglic acid
Canonical SMILES: CC=C(C)C(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDT0069
Timosaponin A-III
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0070
Tocopherols
Canonical SMILES: CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDT0075
Tomentosin
Canonical SMILES: CC1CC2C(CC=C1CCC(=O)C)C(=C)C(=O)O2
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDT0076
Toosendanin
Canonical SMILES: CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C)O)O
Class: Prenol lipids
Disease: AD, PD, Huntington disease
PCNDIDT0083
trans-10-Octadecenoic acid
Canonical SMILES: CCCCCCCC=CCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDT0089
Triacontyl hexacosanoate
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
Class: Fatty Acyls
Disease: Epilepsy
PCNDIDT0094
Tridecanoic acid
Canonical SMILES: CCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDT0098
Trijuganone B
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C
Class: Prenol lipids
Disease: AD
PCNDIDT0103
Triolein
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
Class: Glycerolipids
Disease: AD
PCNDIDT0105
Triptinin A
Canonical SMILES: CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0106
Triptinin B
Canonical SMILES: CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)C)C)C(=O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0108
Triptonoditerpenic acid
Canonical SMILES: CC1=C(CCC2(C1CCC3=C(C(=C(C=C32)OC)C(C)C)O)C)C(=O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0109
Triptonoterpene
Canonical SMILES: CC(C)C1=C(C2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDT0110
Triptonoterpene methyl ether
Canonical SMILES: CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDT0111
Triptonoterpenol
Canonical SMILES: CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)CO)C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0112
Triptophenolide
Canonical SMILES: CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDT0113
Tristearin
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Class: Glycerolipids
Disease: AD
PCNDIDT0126
Turmeronol A
Canonical SMILES: CC1=C(C=C(C=C1)C(C)CC(=O)C=C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDU0001
Ubiquinol
Canonical SMILES: CC1=C(C(=C(C(=C1O)OC)OC)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDU0003
Umbelliprenin
Canonical SMILES: CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDU0006
Unii-95N0gbb2SX
Canonical SMILES: CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDU0011
Ursolic Acid
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
Class: Prenol lipids
Disease: AD, PD, Huntington disease, Meningitis
PCNDIDU0014
Uvaol
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO
Class: Prenol lipids
Disease: AD, PD
PCNDIDV0001
Valerenic acid
Canonical SMILES: CC1CCC(C2=C(CCC12)C)C=C(C)C(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDV0002
Valeric acid
Canonical SMILES: CCCCC(=O)O
Class: Fatty Acyls
Disease: Epilepsy
PCNDIDV0007
Vanillosmin
Canonical SMILES: CC1=CCC2C(C3C1CCC3=C)OC(=O)C2=C
Class: Prenol lipids
Disease: AD
PCNDIDV0017
Veranisatin A
Canonical SMILES: CC1CCC2(C13CC(C(C24COC4=O)(COC)O)OC(=O)C3O)O
Class: Prenol lipids
Disease: Epilepsy
PCNDIDV0018
Veranisatin B
Canonical SMILES: CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O
Class: Prenol lipids
Disease: Epilepsy
PCNDIDV0019
Veranisatin C
Canonical SMILES: CC1CC(C2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O)O
Class: Prenol lipids
Disease: Epilepsy
PCNDIDV0021
Verbenalin
Canonical SMILES: CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDV0030
Viridiflorene
Canonical SMILES: CC1CCC2=C(CCC3C(C12)C3(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDV0034
Vitamin E
Canonical SMILES: CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
Class: Prenol lipids
Disease: PD, Epilepsy, Huntington disease, Myasthenia Gravis, Multiple sclreosis
PCNDIDV0035
Vitamin E calcium succinate
Canonical SMILES: CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C.C(CC(=O)[O-])C(=O)[O-].[Ca+2]
Class: Prenol lipids
Disease: AD
PCNDIDV0044
Vulgarin
Canonical SMILES: CC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDV0045
Vulgarole
Canonical SMILES: CC(=O)OC1C(C2CCC1(C2(C)C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDW0002
Wallichinine
Canonical SMILES: CC(=CC1=CC(=C(C=C1)OC)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC
Class: Prenol lipids
Disease: AD
PCNDIDW0010
Withaferin A
Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO
Class: Steroids and steroid derivatives
Disease: AD, PD, Meningitis
PCNDIDW0011
Withanolide D
Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDW0015
Wyerone
Canonical SMILES: CCC=CC#CC(=O)C1=CC=C(O1)C=CC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDX0007
Xanthorrhizol
Canonical SMILES: CC1=C(C=C(C=C1)C(C)CCC=C(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDX0009
Xanthoxin
Canonical SMILES: CC(=CC=O)C=CC12C(CC(CC1(O2)C)O)(C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDX0012
Xuelianlactone
Canonical SMILES: CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDY0012
Yuanhuacine
Canonical SMILES: CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
Class: Prenol lipids
Disease: AD
PCNDIDZ0001
Z,Z-10,12-Hexadecadien-1-ol acetate
Canonical SMILES: CCCC=CC=CCCCCCCCCCOC(=O)C
Class: Fatty Acyls
Disease: AD, Huntington disease
PCNDIDZ0002
Z-8-Hexadecen-1-ol acetate
Canonical SMILES: CCCCCCCC=CCCCCCCCOC(=O)C
Class: Fatty Acyls
Disease: AD
PCNDIDZ0004
Zerumbone
Canonical SMILES: CC1=CCC(C=CC(=O)C(=CCC1)C)(C)C
Class: Prenol lipids
Disease: AD, PD, Meningitis
PCNDIDZ0008
Zingiberene
Canonical SMILES: CC1=CCC(C=C1)C(C)CCC=C(C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDZ0009
Zingiberenol
Canonical SMILES: CC(CCC=C(C)C)C1CCC(C=C1)(C)O
Class: Prenol lipids
Disease: AD
PCNDIDZ0010
Zizanene
Canonical SMILES: CC1=CC2C(CC1)C(=CCC2C(C)C)C
Class: Prenol lipids
Disease: AD