Showing results for D
Total number of hits: 186
Click on results for more details:
PCNDIDD0001
D-(-)-QuinicAcid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0002
Daidzein
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDD0003
Daidzin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Class: Isoflavonoids
Disease: AD, PD
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
PCNDIDD0005
Dalbergin
Canonical SMILES: COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O
Class: Neoflavonoids
Disease: AD, PD
PCNDIDD0006
Damascenone
Canonical SMILES: CC=CC(=O)C1=C(C=CCC1(C)C)C
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDD0007
Dambonitol
Canonical SMILES: COC1C(C(C(C(C1O)OC)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0008
Dan shen spiroketal lactone
Canonical SMILES: CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1
Class: Naphthofurans
Disease: AD, Epilepsy
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
PCNDIDD0011
Danshensu
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)O)O)O
Class: Phenylpropanoic acids
Disease: PD
PCNDIDD0012
Danthron
Canonical SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
Class: Anthracenes
Disease: AD, PD
PCNDIDD0013
Daphnetin
Canonical SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDD0014
Daphnoretin
Canonical SMILES: COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0015
Datumetine
Canonical SMILES: CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC
Class: Tropane alkaloids
Disease: AD, PD
PCNDIDD0016
Daucene
Canonical SMILES: CC1=CCC2(CCC(=C2CC1)C(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0017
Dauricine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDD0018
Dauricoline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)O)OC)O)OC)O
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDD0019
Dauriporphinoline
Canonical SMILES: COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)O)C2=O
Class: Isoaporphines
Disease: AD
PCNDIDD0020
Daurisoline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)OC)OC
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDD0021
D-Dopa
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDD0022
Decuroside III
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0023
Decursin
Canonical SMILES: CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDD0024
Decussatin
Canonical SMILES: COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)OC
Class: Benzopyrans
Disease: AD
PCNDIDD0025
Decussine
Canonical SMILES: CC1C2=C(C=CN=C2)C=C3C4=C(CCN3C)C5=CC=CC=C5N14
Class: Indoles and derivatives
Disease: AD
PCNDIDD0026
Defensamide
Canonical SMILES: CCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC
Class: Carboxylic acids and derivatives
Disease: AD, PD
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
PCNDIDD0029
Dehydroaporheine
Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1=CC5=CC=CC=C54)OCO3
Class: Aporphines
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
PCNDIDD0033
Dehydrocorybulbine
Canonical SMILES: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)O)OC)OC)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDD0034
Dehydrocorydaline
Canonical SMILES: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDD0035
Dehydrocorydalmine
Canonical SMILES: COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDD0036
Dehydrocostus lactone
Canonical SMILES: C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0037
Dehydrocrebanine
Canonical SMILES: CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
Class: Aporphines
Disease: AD
PCNDIDD0038
Dehydrocycloguanandin
Canonical SMILES: CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)C
Class: Benzopyrans
Disease: AD
PCNDIDD0039
Dehydrodiisoeugenol
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD, Epilepsy
PCNDIDD0040
Dehydrodiscretamine
Canonical SMILES: COC1=CC2=C3C=C4C=CC(=C(C4=C[NH+]3CCC2=CC1=O)OC)O
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDD0041
Dehydroglaucine
Canonical SMILES: CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC
Class: Aporphines
Disease: AD
PCNDIDD0042
Dehydroleucodine
Canonical SMILES: CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C
Class: Lactones
Disease: AD
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
PCNDIDD0044
Dehydronantenine
Canonical SMILES: CN1CCC2=CC(=C(C3=C4C=C5C(=CC4=CC1=C23)OCO5)OC)OC
Class: Aporphines
Disease: AD
PCNDIDD0045
Dehydronuciferine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1=CC4=CC=CC=C43)OC)OC
Class: Aporphines
Disease: AD
PCNDIDD0046
Dehydropipernonaline
Canonical SMILES: C1CCN(CC1)C(=O)C=CC=CCCC=CC2=CC3=C(C=C2)OCO3
Class: Benzodioxoles
Disease: AD, PD
PCNDIDD0047
Dehydrostephanine
Canonical SMILES: CN1CCC2=CC3=C(C4=C5C=CC=C(C5=CC1=C24)OC)OCO3
Class: Aporphines
Disease: AD
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
PCNDIDD0050
Dehydroxylinalool oxide A
Canonical SMILES: CC1(CCCC(O1)(C)C=C)C
Class: Oxanes
Disease: AD
PCNDIDD0051
delfinidin-3-O-glucoside
Canonical SMILES: C1=C(C=C(C(=C1O)[O-])O)C2=C(C=C3C(=CC(=O)C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0052
Delphinidin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
Class: Flavonoids
Disease: AD
PCNDIDD0053
delta(9)-Tetrahydrocannabinolic acid
Canonical SMILES: CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)O)O
Class: Benzopyrans
Disease: AD, PD
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
PCNDIDD0055
DELTA8-Tetrahydrocannabinol
Canonical SMILES: CCCCCC1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)C)O
Class: Benzopyrans
Disease: Epilepsy
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
PCNDIDD0058
delta-Tetradecalactone
Canonical SMILES: CCCCCCCCCC1CCCC(=O)O1
Class: Lactones
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
PCNDIDD0061
Demecolcine
Canonical SMILES: CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Class: Tropones
Disease: AD
PCNDIDD0062
Demethoxycurcumin
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
Class: Diarylheptanoids
Disease: AD, PD
PCNDIDD0063
Demethylbatatasin IV
Canonical SMILES: C1=CC=C(C(=C1)CCC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: AD, PD
PCNDIDD0064
Demethylfuropinnarin
Canonical SMILES: CC(C)(C=C)C1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0065
Demethylsuberosin
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0066
Demethylwedelolactone
Canonical SMILES: C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O
Class: Isoflavonoids
Disease: AD
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
PCNDIDD0069
Denudanolide A
Canonical SMILES: CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC4=C(C=C3)OCO4
Class: Benzodioxoles
Disease: AD
PCNDIDD0070
Denudanolide B
Canonical SMILES: CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC(=C(C=C3)O)OC
Class: Phenols
Disease: AD
PCNDIDD0071
Denudanolide C
Canonical SMILES: CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC(=C(C=C3)OC)OC
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDD0072
Denudanolide D
Canonical SMILES: CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC(=C(C(=C3)OC)OC)OC
Class: Phenol ethers
Disease: AD, PD
PCNDIDD0073
Denudaquinol
Canonical SMILES: CC(=CCCC(=CCC1=C(C(=CC(=C1)O)CC(=O)OC)O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0074
denudatin A
Canonical SMILES: CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC4=C(C=C3)OCO4
Class: 2-arylbenzofuran flavonoids
Disease: AD
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
PCNDIDD0079
Deoxynupharidine
Canonical SMILES: CC1CCC2C(CCC(N2C1)C3=COC=C3)C
Class: Quinolizines
Disease: AD
PCNDIDD0080
Deoxypeganine
Canonical SMILES: C1CC2=NC3=CC=CC=C3CN2C1
Class: Diazanaphthalenes
Disease: AD
PCNDIDD0081
Deoxypodophyllotoxin
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
Class: Lignan lactones
Disease: AD
PCNDIDD0082
Deoxyshikonin
Canonical SMILES: CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C
Class: Naphthalenes
Disease: AD
PCNDIDD0083
Deoxyvasicinone
Canonical SMILES: C1CC2=NC3=CC=CC=C3C(=O)N2C1
Class: Diazanaphthalenes
Disease: AD
PCNDIDD0084
Deserpidine
Canonical SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
Class: Yohimbine alkaloids
Disease: AD
PCNDIDD0085
Desmethoxyyangonin
Canonical SMILES: COC1=CC(=O)OC(=C1)C=CC2=CC=CC=C2
Class: Kavalactones
Disease: AD
PCNDIDD0086
Desmosterol
Canonical SMILES: CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDD0087
Dextroamphetamine
Canonical SMILES: CC(CC1=CC=CC=C1)N
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0088
Di-2-propenyl heptasulfide
Canonical SMILES: C=CCSSSSSSSCC=C
Class: Allyl sulfur compounds
Disease: AD
PCNDIDD0089
Diacetone Alcohol
Canonical SMILES: CC(=O)CC(C)(C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0090
Diallyl disulfide
Canonical SMILES: C=CCSSCC=C
Class: Allyl sulfur compounds
Disease: AD
PCNDIDD0091
Diallyl hexasulfide
Canonical SMILES: C=CCSSSSSSCC=C
Class: Allyl sulfur compounds
Disease: AD
PCNDIDD0092
Diallyl sulfide
Canonical SMILES: C=CCSCC=C
Class: Allyl sulfur compounds
Disease: AD, PD
PCNDIDD0093
Diallyl tetrasulfide
Canonical SMILES: C=CCSSSSCC=C
Class: Allyl sulfur compounds
Disease: AD
PCNDIDD0094
Diallyl trisulfide
Canonical SMILES: C=CCSSSCC=C
Class: Organic trisulfides
Disease: AD, PD
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
PCNDIDD0096
Dianthramine
Canonical SMILES: C1=CC(=C(C=C1O)NC2=C(C=CC(=C2)O)C(=O)O)C(=O)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0097
Diazepam
Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
Class: Benzodiazepines
Disease: AD
PCNDIDD0098
Dibenzo(a,C)cyclooctene-1,7-diol, 5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, 1-benzoate, (6S,7S,12aR)-
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC
Class: Tannins
Disease: AD
PCNDIDD0099
Dibenzothiophene
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2
Class: Benzothiophenes
Disease: PD
PCNDIDD0100
Dibenzoylmethane
Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD
PCNDIDD0101
Dibenzyl ether
Canonical SMILES: C1=CC=C(C=C1)COCC2=CC=CC=C2
Class: Benzene and substituted derivatives
Disease: PD
PCNDIDD0102
Dibutyl Phthalate
Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDD0103
Dibutyl terephthalate
Canonical SMILES: CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDD0104
Dibutylphenol
Canonical SMILES: CCCCC1=C(C(=CC=C1)O)CCCC
Class: Phenols
Disease: PD, Epilepsy
PCNDIDD0105
Dicaffeoyl quinic acid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0106
Dicentrine
Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3
Class: Aporphines
Disease: PD, Epilepsy
PCNDIDD0107
Dichotomitin
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4
Class: Isoflavonoids
Disease: AD
PCNDIDD0108
Dichotosin
Canonical SMILES: COC1=CC=C(C=C1)C2CCC3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDD0109
Dictamnine
Canonical SMILES: COC1=C2C=COC2=NC3=CC=CC=C31
Class: Quinolines and derivatives
Disease: AD
PCNDIDD0110
Dictamnol
Canonical SMILES: CC1(CCC2C1C=CCCC2=C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0111
Dicumarol
Canonical SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDD0112
Dicyclohexylphenylphosphine
Canonical SMILES: C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3
Class: Benzene and substituted derivatives
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
PCNDIDD0114
Didymin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0115
Diethoxydimethylsilane
Canonical SMILES: CCO[Si](C)(C)OCC
Class: Organometalloid compounds
Disease: AD, PD
PCNDIDD0116
Diethyl Phthalate
Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0117
Diethyl sulfate
Canonical SMILES: CCOS(=O)(=O)OCC
Class: Organic sulfuric acids and derivatives
Disease: AD
PCNDIDD0118
Diethylene glycol dibenzoate
Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0119
Diffutin
Canonical SMILES: COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDD0120
Digallate
Canonical SMILES: C1=C(C=C(C(=C1O)[O-])O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O
Class: Depsides and depsidones
Disease: AD
PCNDIDD0121
Dihexyl phthalate
Canonical SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
Class: Benzene and substituted derivatives
Disease: PD, 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
PCNDIDD0124
Dihydrocapsaicin
Canonical SMILES: CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Class: Phenols
Disease: AD, PD
PCNDIDD0125
Dihydrochelerythrine
Canonical SMILES: CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5
Class: Benzophenanthridine alkaloids
Disease: AD, PD
PCNDIDD0126
Dihydrochelirubine
Canonical SMILES: CN1CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3
Class: Benzophenanthridine alkaloids
Disease: AD
PCNDIDD0127
Dihydrocubebin
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO
Class: Dibenzylbutane lignans
Disease: AD, PD
PCNDIDD0128
Dihydrodioscorine
Canonical SMILES: CC1CC(=O)OC2(C1)CC3CCC2CN3C
Class: Azaspirodecane derivatives
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
PCNDIDD0132
Dihydrokaempferide
Canonical SMILES: COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0133
Dihydrokavain
Canonical SMILES: COC1=CC(=O)OC(C1)CCC2=CC=CC=C2
Class: Kavalactones
Disease: AD
PCNDIDD0134
Dihydromethysticin
Canonical SMILES: COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3
Class: Kavalactones
Disease: AD
PCNDIDD0135
Dihydromollugin
Canonical SMILES: CC1(CCC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
Class: Naphthopyrans
Disease: AD
PCNDIDD0136
Dihydromyricetin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDD0137
Dihydronepetalactone
Canonical SMILES: CC1CCC2C1C(=O)OCC2C
Class: Prenol lipids
Disease: AD
PCNDIDD0138
Dihydronitidine
Canonical SMILES: CN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDD0139
Dihydroresveratrol
Canonical SMILES: C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O
Class: Stilbenes
Disease: AD
PCNDIDD0140
Dihydrosanguinarine
Canonical SMILES: CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Class: Benzophenanthridine alkaloids
Disease: AD, PD, Huntington disease
PCNDIDD0141
Dihydrotanshinone I
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDD0142
Dihydroxyacetone
Canonical SMILES: C(C(=O)CO)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0143
Diisobutyl phthalate
Canonical SMILES: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0144
Dillapiol
Canonical SMILES: COC1=C(C2=C(C=C1CC=C)OCO2)OC
Class: Benzodioxoles
Disease: PD, Epilepsy
PCNDIDD0145
Dimethoxyallylbenzene
Canonical SMILES: COC(=CCC1=CC=CC=C1)OC
Class: Benzene and substituted derivatives
Disease: Epilepsy
PCNDIDD0146
Dimethyl Ether
Canonical SMILES: COC
Class: Organooxygen compounds
Disease: AD
PCNDIDD0147
Dimethyl Phthalate
Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)OC
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0148
Dimethyl sulfone
Canonical SMILES: CS(=O)(=O)C
Class: Sulfonyls
Disease: AD
PCNDIDD0149
Dimethyl Sulfoxide
Canonical SMILES: CS(=O)C
Class: Sulfoxides
Disease: AD
PCNDIDD0150
Dioctyl phthalate
Canonical SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
Class: Benzene and substituted derivatives
Disease: AD
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
PCNDIDD0154
Diosmetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDD0155
Diosmin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDD0156
Diosphenol
Canonical SMILES: CC1=C(C(=O)C(CC1)C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDD0157
Diphenyl sulfide
Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2
Class: Thioethers
Disease: AD
PCNDIDD0158
Diphenylamine
Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0159
Diphenylcyclopropenone
Canonical SMILES: C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDD0160
Diphyllin
Canonical SMILES: COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC
Class: Arylnaphthalene lignans
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
PCNDIDD0162
Divanillalaceton
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDD0163
Divaricatacid
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)C(=O)O)O
Class: Benzopyrans
Disease: AD
PCNDIDD0164
Divaricatol
Canonical SMILES: CC(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C
Class: Benzopyrans
Disease: AD, PD
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
PCNDIDD0167
DL-Carnitine
Canonical SMILES: C[N+](C)(C)CC(CC(=O)[O-])O
Class: Organonitrogen compounds
Disease: AD
PCNDIDD0168
D-Limonene
Canonical SMILES: CC1=CCC(CC1)C(=C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDD0169
DL-Tyrosine
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDD0170
D-malate
Canonical SMILES: C(C(C(=O)O)O)C(=O)O
Class: Hydroxy acids and derivatives
Disease: AD
PCNDIDD0171
Docosapentaenoic acid
Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDD0172
Dodecahydropyrido[1,2-b]isoquinolin-6-one
Canonical SMILES: C1CCC2C(C1)CC3CCCCN3C2=O
Class: Quinolizidines
Disease: AD
PCNDIDD0173
Dodecatetraenamide, N-(2-methylpropyl)-
Canonical SMILES: CCCC=CC=CC=CC=CC(=O)NCC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDD0174
Dodecyl gallate
Canonical SMILES: CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDD0175
Dopamine
Canonical SMILES: C1=CC(=C(C=C1CCN)O)O
Class: Phenols
Disease: AD, PD
PCNDIDD0176
D-ornithine
Canonical SMILES: C(CC(C(=O)O)N)CN
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDD0177
D-phenylalanine
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDD0178
D-Pinitol
Canonical SMILES: COC1C(C(C(C(C1O)O)O)O)O
Class: Organooxygen compounds
Disease: PD
PCNDIDD0179
d-Piperitone
Canonical SMILES: CC1=CC(=O)C(CC1)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDD0180
Drimenol
Canonical SMILES: CC1=CCC2C(CCCC2(C1CO)C)(C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDD0181
Dronabinol
Canonical SMILES: CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDD0182
D-serine
Canonical SMILES: C(C(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDD0183
d-Tartaric acid
Canonical SMILES: C(C(C(=O)O)O)(C(=O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0184
D-Threitol
Canonical SMILES: C(C(C(CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDD0185
D-tyrosine
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
Class: Carboxylic acids and derivatives
Disease: PD, Epilepsy
PCNDIDD0186
Duartin
Canonical SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O
Class: Isoflavonoids
Disease: AD, PD