Showing results for I
Total number of hits: 144
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PCNDIDI0001
Ibogaine
Canonical SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC
Class: Ibogan-type alkaloids
Disease: AD, PD
PCNDIDI0002
Iboxygaine
Canonical SMILES: CC(C1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)O
Class: Ibogan-type alkaloids
Disease: AD
PCNDIDI0003
Icaceine
Canonical SMILES: CC12CCC(C3(C1C(C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O
Class: Steroids and steroid derivatives
Disease: Epilepsy
PCNDIDI0004
Icacine
Canonical SMILES: CC12CCC3C45CCC(C6(C4C(C7C3(C1OCC2N(C)C)O7)OC6=O)C)(OC5)O
Class: Naphthopyrans
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
PCNDIDI0006
Icariside I
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)OC4C(C(C(C(O4)CO)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0007
Icaritin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0008
Icosapent
Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDI0009
Idaein
Canonical SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-]
Class: Flavonoids
Disease: AD
PCNDIDI0010
Ikarisoside C
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0011
Imperatorin
Canonical SMILES: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDI0012
Imperialine
Canonical SMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O
Class: Steroids and steroid derivatives
Disease: PD, Epilepsy
PCNDIDI0013
Indican
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDI0014
Indigo
Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0015
Indirubin
Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O
Class: Indoles and derivatives
Disease: AD, Myasthenia Gravis
PCNDIDI0016
Indole
Canonical SMILES: C1=CC=C2C(=C1)C=CN2
Class: Indoles and derivatives
Disease: Meningitis
PCNDIDI0017
Indole-3-acetic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0018
Indole-3-carbinol
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CO
Class: Indoles and derivatives
Disease: AD
PCNDIDI0019
Indole-3-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0020
Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)-
Canonical SMILES: CC1C2=C(CC3[N+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDI0021
Indolo[2,1-b]quinazoline-6,12-dione
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2
Class: Diazanaphthalenes
Disease: AD, PD
PCNDIDI0022
Inophyllum E
Canonical SMILES: CC1C(OC2=C(C1=O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C
Class: Neoflavonoids
Disease: AD
PCNDIDI0023
Inosine
Canonical SMILES: C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
Class: Purine nucleosides
Disease: AD, PD
PCNDIDI0024
Integerrimine
Canonical SMILES: CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
Class: Macrolides and analogues
Disease: AD
PCNDIDI0025
Interiotherin A
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDI0026
Iridin
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0027
Iriflophenone
Canonical SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2O)O)O)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDI0028
Irigenin
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0029
Irilone
Canonical SMILES: C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0030
Irisflorentin
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0031
Irisolidone
Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Class: Isoflavonoids
Disease: AD, Meningitis
PCNDIDI0032
Irisolone
Canonical SMILES: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0033
Irisquinone
Canonical SMILES: CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC
Class: Organooxygen compounds
Disease: AD
PCNDIDI0034
Iristectorigenin A
Canonical SMILES: COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0035
Iristectorigenin B
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O
Class: Isoflavonoids
Disease: AD, PD
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
PCNDIDI0037
Isatidine
Canonical SMILES: CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C
Class:
Disease: AD
PCNDIDI0038
Isatin
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDI0039
Isoacteoside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: Meningitis
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
PCNDIDI0042
Isoamylamine
Canonical SMILES: CC(C)CCN
Class: Organonitrogen compounds
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
PCNDIDI0045
Isobavachalcone
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDI0046
Isobavachin
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0047
Isobrucine N-oxide
Canonical SMILES: COC1=C(C=C2C(=C1)C34CC[N+]5(C3CC(C(=CCO)C5)C6=CCC(=O)N2C46)[O-])OC
Class: Strychnos alkaloids
Disease: AD
PCNDIDI0048
Isobutyl benzoate
Canonical SMILES: CC(C)COC(=O)C1=CC=CC=C1
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDI0049
Isobutyl cinnamate
Canonical SMILES: CC(C)COC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDI0050
Isobutyl isovalerate
Canonical SMILES: CC(C)CC(=O)OCC(C)C
Class: Fatty Acyls
Disease: AD
PCNDIDI0051
Isobutyric acid
Canonical SMILES: CC(C)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDI0052
Isobutyrophenone
Canonical SMILES: CC(C)C(=O)C1=CC=CC=C1
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDI0053
Isobutyrylshikonin
Canonical SMILES: CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Class: Naphthalenes
Disease: AD, Meningitis
PCNDIDI0054
Isocaryophyllene
Canonical SMILES: CC1=CCCC(=C)C2CC(C2CC1)(C)C
Class: Prenol lipids
Disease: PD, Epilepsy
PCNDIDI0055
Isocorybulbine
Canonical SMILES: CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)O
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDI0056
Isocorydine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Class: Aporphines
Disease: AD, PD
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
PCNDIDI0062
Isoduartin
Canonical SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)O)OC
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0063
Isoengeletin
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0064
Isoeugenol
Canonical SMILES: CC=CC1=CC(=C(C=C1)O)OC
Class: Phenols
Disease: AD, PD, Myasthenia Gravis
PCNDIDI0065
Isoeugenyl acetate
Canonical SMILES: CC=CC1=CC(=C(C=C1)OC(=O)C)OC
Class: Phenol esters
Disease: AD, PD
PCNDIDI0066
Isoevodiamine
Canonical SMILES: CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Class: Indoles and derivatives
Disease: AD, PD, Huntington disease
PCNDIDI0067
Isoferulic acid
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDI0068
Isoflavone
Canonical SMILES: C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0069
Isoflavone, 2',4',5-trihydroxy-7-methoxy-
Canonical SMILES: COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0070
Isoformononetin
Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0071
Isofraxidin
Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0072
Isofraxinellone
Canonical SMILES: CC1=CCCC2(C1C(=O)OC2C3=COC=C3)C
Class: Isobenzofurans
Disease: AD
PCNDIDI0073
Isogingerenone B
Canonical SMILES: COC1=CC(=CC(=C1O)OC)CCC(=O)C=CCCC2=CC(=C(C=C2)O)OC
Class: Diarylheptanoids
Disease: AD, PD
PCNDIDI0074
Isoglycyrol
Canonical SMILES: CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C
Class: Isoflavonoids
Disease: AD
PCNDIDI0075
Isogomphrenin I
Canonical SMILES: C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O)C(=O)O)C(=O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDI0076
Isogosferol
Canonical SMILES: CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0077
Isoguaiacin
Canonical SMILES: CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC
Class: Aryltetralin lignans
Disease: AD, PD
PCNDIDI0078
Isoguvacine
Canonical SMILES: C1CNCC=C1C(=O)O
Class: Pyridines and derivatives
Disease: Epilepsy
PCNDIDI0079
Isoimperatorin
Canonical SMILES: CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
Class: Coumarins and derivatives
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
PCNDIDI0081
Isoindigotin
Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O
Class: Indoles and derivatives
Disease: AD
PCNDIDI0082
Isokaempferide
Canonical SMILES: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Class: Flavonoids
Disease: AD
PCNDIDI0083
Isokobusone
Canonical SMILES: CC1(CC2C1CCC(=C)C(CCC2=O)O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDI0084
Isokurarinone
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C
Class: Flavonoids
Disease: AD
PCNDIDI0085
Isolapachol
Canonical SMILES: CC(C)C=CC1=C(C2=CC=CC=C2C(=O)C1=O)O
Class: Naphthalenes
Disease: AD, PD
PCNDIDI0086
Isolariciresinol
Canonical SMILES: COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
Class: Aryltetralin lignans
Disease: AD
PCNDIDI0087
Isolicoflavonol
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0088
Isoliquiritigenin
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Meningitis, Multiple sclreosis
PCNDIDI0089
Isoliquiritin
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0090
Isolongifolene, 4,5,9,10-dehydro-
Canonical SMILES: CC1(C=CC=C2C13CC(C2(C)C)C=C3)C
Class: Polycyclic hydrocarbons
Disease: PD
PCNDIDI0091
Isomangiferin
Canonical SMILES: C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
Class: Benzopyrans
Disease: AD
PCNDIDI0092
Isomeranzin
Canonical SMILES: CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0093
Isomyristicin
Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDI0094
Isoolivil
Canonical SMILES: COC1=C(C=C2C(C(C(CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O
Class: Aryltetralin lignans
Disease: AD
PCNDIDI0095
Isoorientin
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0096
Isopentyl benzoate
Canonical SMILES: CC(C)CCOC(=O)C1=CC=CC=C1
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDI0097
Isopetasin
Canonical SMILES: CC=C(C)C(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C1C)C
Class: Prenol lipids
Disease: Epilepsy
PCNDIDI0098
Isophthalate
Canonical SMILES: C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDI0099
Isophytol
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
Class: Prenol lipids
Disease: AD
PCNDIDI0100
Isopiline
Canonical SMILES: COC1=C(C(=C2C3=CC=CC=C3CC4C2=C1CCN4)O)OC
Class: Aporphines
Disease: AD
PCNDIDI0101
Isopimaric acid
Canonical SMILES: CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C
Class: Prenol lipids
Disease: AD
PCNDIDI0102
Isopimpinellin
Canonical SMILES: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDI0103
Isoplumbagin
Canonical SMILES: CC1=CC(=O)C2=C(C1=O)C(=CC=C2)O
Class: Naphthalenes
Disease: AD
PCNDIDI0104
Isoponcimarin
Canonical SMILES: CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC3C(O3)(C)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0105
Isopreleoheterin
Canonical SMILES: CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)O
Class:
Disease: AD
PCNDIDI0106
Isopropyl acetate
Canonical SMILES: CC(C)OC(=O)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDI0107
Isopropyl Alcohol
Canonical SMILES: CC(C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDI0108
Isopropyl formate
Canonical SMILES: CC(C)OC=O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDI0109
Isopropyl methyl sulfide
Canonical SMILES: CC(C)SC
Class: Thioethers
Disease: AD, PD
PCNDIDI0110
Isopteropodine
Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Class: Indolizidines
Disease: PD, Epilepsy
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
PCNDIDI0113
Isoquercetin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0114
Isoquercitin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: PD, Epilepsy
PCNDIDI0115
Isoquercitrin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0116
Isorhamnetin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Huntington disease
PCNDIDI0117
Isorhoifolin
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0118
Isorhyncophylline
Canonical SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Class: Indolizidines
Disease: AD, PD
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
PCNDIDI0120
Isosafrole
Canonical SMILES: CC=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDI0121
Isosativan
Canonical SMILES: COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDI0122
Isoschisandrin
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: PD, Epilepsy
PCNDIDI0123
Isoscopoletin
Canonical SMILES: COC1=C(C=C2C=CC(=O)OC2=C1)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDI0124
Isosinensetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDI0125
Isositsirikine
Canonical SMILES: CC=C1CN2CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34
Class: Corynanthean-type alkaloids
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
PCNDIDI0127
Isotanshinone II
Canonical SMILES: CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=CO4)C)C(=O)C3=O
Class: Phenanthrenes and derivatives
Disease: AD, PD
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
PCNDIDI0129
Isoterchebin
Canonical SMILES: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O1)O)O
Class: Tannins
Disease: AD, PD
PCNDIDI0130
Isotetrandrine
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Class:
Disease: PD, Epilepsy
PCNDIDI0131
Isothymonin
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)OC)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDI0132
Isothymusin
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDI0133
Isotorachrysone
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)O
Class: Naphthalenes
Disease: AD
PCNDIDI0134
Isotrifoliol
Canonical SMILES: COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O
Class: Isoflavonoids
Disease: AD
PCNDIDI0135
Isotrilobine
Canonical SMILES: CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)OC)OC
Class:
Disease: AD, PD
PCNDIDI0136
Isouvaretin
Canonical SMILES: COC1=C(C(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O)CC3=CC=CC=C3O
Class: Diarylheptanoids
Disease: AD
PCNDIDI0137
Isovaleric acid
Canonical SMILES: CC(C)CC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDI0138
Isovanillin
Canonical SMILES: COC1=C(C=C(C=C1)C=O)O
Class: Phenols
Disease: AD
PCNDIDI0139
Isovitexin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDI0140
Isoxanthohumol
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C
Class: Flavonoids
Disease: AD
PCNDIDI0141
Isoyatein
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC4=C(C=C3)OCO4
Class: Furanoid lignans
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
PCNDIDI0144
Izmirine
Canonical SMILES: CC1OC2=C(O1)C3=C(C=CC4CC(=O)C=C(C4C(=CNC3)O)OC)C=C2
Class: Benzodioxoles
Disease: AD