Showing results for C
Total number of hits: 331
Click on results for more details:
PCNDIDC0001
C.I. Natural Red 20
Canonical SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
Class: Naphthalenes
Disease: AD, Huntington disease, Meningitis
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
PCNDIDC0005
Cafestol
Canonical SMILES: CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
Class: Naphthofurans
Disease: AD
PCNDIDC0006
Caffeic Acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDC0007
Caffeine
Canonical SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Class: Imidazopyrimidines
Disease: AD, PD
PCNDIDC0008
Caffeoyl-l-malic acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)C(CC(=O)O)(C(=O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0009
Caffeoyltartaric acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0010
Cajanin
Canonical SMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDC0011
Calceolarioside A
Canonical SMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0012
Calcium (S)-2-amino-3-carboxypropanoate
Canonical SMILES: C(C(C(=O)[O-])N)C(=O)O.C(C(C(=O)[O-])N)C(=O)O.[Ca+2]
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDC0013
Calebin A
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDC0014
Calodendrolide
Canonical SMILES: CC1=CCCC2(C13C(O3)C(=O)OC2C4=COC=C4)C
Class: Dioxepanes
Disease: AD
PCNDIDC0015
Calophyllolide
Canonical SMILES: CC=C(C)C(=O)C1=C(C2=C(C3=C1OC(=O)C=C3C4=CC=CC=C4)OC(C=C2)(C)C)OC
Class: Neoflavonoids
Disease: AD
PCNDIDC0016
Calvatic acid
Canonical SMILES: C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-]
Class: Organonitrogen compounds
Disease: AD
PCNDIDC0017
Calycosin
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
Class: Isoflavonoids
Disease: AD, Meningitis, Multiple sclreosis
PCNDIDC0018
Calycosin 7-O-glucoside
Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Class: Isoflavonoids
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
PCNDIDC0023
Camptothecin
Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
Class: Camptothecins
Disease: AD
PCNDIDC0024
Canbisol
Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)C)O)O
Class: Benzopyrans
Disease: AD
PCNDIDC0025
Candicine
Canonical SMILES: C[N+](C)(C)CCC1=CC=C(C=C1)O
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDC0026
Cannabichromene
Canonical SMILES: CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
Class: Benzopyrans
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
PCNDIDC0028
Cannabidiolic acid
Canonical SMILES: CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)O
Class: Benzene and substituted derivatives
Disease: Epilepsy
PCNDIDC0029
Cannabigerol
Canonical SMILES: CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0030
Cannabinol
Canonical SMILES: CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O
Class: Benzopyrans
Disease: PD, Epilepsy
PCNDIDC0031
Canniprene
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)OC)CCC2=CC(=CC(=C2)OC)O)C
Class: Stilbenes
Disease: AD
PCNDIDC0032
Cantharidin
Canonical SMILES: CC12C3CCC(C1(C(=O)OC2=O)C)O3
Class: Furofurans
Disease: AD, PD
PCNDIDC0033
Caohuoside B
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)OC)O)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)O)O)OC(=O)C
Class: Flavonoids
Disease: AD
PCNDIDC0034
Capaurine
Canonical SMILES: COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDC0035
Capillanol
Canonical SMILES: CC(CC#CCC1=CC=CC=C1)O
Class: Fatty Acyls
Disease: PD, Huntington disease
PCNDIDC0036
Capillarin
Canonical SMILES: CC#CCC1=CC2=CC=CC=C2C(=O)O1
Class: Isocoumarins and derivatives
Disease: AD
PCNDIDC0037
Capillarisin
Canonical SMILES: COC1=C(C2=C(C=C1O)OC(=CC2=O)OC3=CC=C(C=C3)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0038
Capillene
Canonical SMILES: CC#CC#CCC1=CC=CC=C1
Class: Benzene and substituted derivatives
Disease: PD
PCNDIDC0039
Capillin
Canonical SMILES: CC#CC#CC(=O)C1=CC=CC=C1
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDC0040
Capsaicin
Canonical SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Class: Phenols
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDC0041
Capsaicinol
Canonical SMILES: CC(C)C(C=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC)O
Class: Phenols
Disease: AD
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
PCNDIDC0047
Carbamic acid, (methylenedi-4,1-phenylene)bis-, dimethyl ester
Canonical SMILES: COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC
Class: Benzene and substituted derivatives
Disease: AD
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
PCNDIDC0050
Cardamonin
Canonical SMILES: COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD, Encephalitits, Huntington disease, Meningitis
PCNDIDC0051
Cardanol monoene
Canonical SMILES: CCCCCCC=CCCCCCCCC1=CC(=CC=C1)O
Class: Phenols
Disease: AD
PCNDIDC0052
Caribine
Canonical SMILES: C1CC2C=C3C(CN4C3C(C2NC1)C5=CC6=C(C=C5C4)OCO6)O
Class: Amaryllidaceae alkaloids
Disease: AD
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
PCNDIDC0054
Carnosine
Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
Class: Peptidomimetics
Disease: AD, Meningitis, Multiple sclreosis
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
PCNDIDC0057
Carpacin
Canonical SMILES: CC=CC1=CC2=C(C=C1OC)OCO2
Class: Benzodioxoles
Disease: Epilepsy
PCNDIDC0058
Carthamidin
Canonical SMILES: C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O
Class: Flavonoids
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
PCNDIDC0065
Caryatin
Canonical SMILES: COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O
Class: Flavonoids
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
PCNDIDC0069
Cassiaside
Canonical SMILES: CC1=CC(=O)C2=C(O1)C=C3C=CC=C(C3=C2O)OC4C(C(C(C(O4)CO)O)O)O
Class: Naphthopyrans
Disease: AD
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
PCNDIDC0071
Casticin
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDC0072
Castillicetin
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0073
Casuarinin
Canonical SMILES: C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
Class: Tannins
Disease: PD
PCNDIDC0074
Catalpol
Canonical SMILES: C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, Huntington disease
PCNDIDC0075
Catechin 7-O-gallate
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0076
Catechin pentaacetate
Canonical SMILES: CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C
Class: Flavonoids
Disease: AD
PCNDIDC0077
Catechol
Canonical SMILES: C1=CC=C(C(=C1)O)O
Class: Phenols
Disease: AD, PD
PCNDIDC0078
Cathine
Canonical SMILES: CC(C(C1=CC=CC=C1)O)N
Class: Benzene and substituted derivatives
Disease: PD
PCNDIDC0079
Cathinone
Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N
Class: Organooxygen compounds
Disease: AD
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
PCNDIDC0081
Cavidine
Canonical SMILES: CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDC0082
Cearoin
Canonical SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)O
Class: Benzene and substituted derivatives
Disease: AD
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
PCNDIDC0085
Cedrene-V6
Canonical SMILES: CC1=C2CCC(C2CCC1(C)C)(C)C=C
Class: Unsaturated hydrocarbons
Disease: AD
PCNDIDC0086
Cedrol
Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
Class: Prenol lipids
Disease: AD
PCNDIDC0087
Cedrusin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDC0088
Celacinnine
Canonical SMILES: C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3
Class: Macrolactams
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
PCNDIDC0090
Cepharadione A
Canonical SMILES: CN1C2=CC3=CC=CC=C3C4=C2C(=CC5=C4OCO5)C(=O)C1=O
Class: Aporphines
Disease: AD
PCNDIDC0091
Cepharadione B
Canonical SMILES: CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)OC)C(=O)C1=O
Class: Aporphines
Disease: AD
PCNDIDC0092
Cepharamine
Canonical SMILES: CN1CCC23C1(CCC4=C2C(=C(C=C4)OC)O)C=C(C(=O)C3)OC
Class: Hasubanan alkaloids
Disease: AD, PD
PCNDIDC0093
Cepharanoline
Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)O)OCO3
Class:
Disease: AD, PD
PCNDIDC0094
Cepharanthine
Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Class:
Disease: AD, PD
PCNDIDC0095
Chalepin
Canonical SMILES: CC(C)(C=C)C1=CC2=CC3=C(C=C2OC1=O)OC(C3)C(C)(C)O
Class: Coumarins and derivatives
Disease: AD
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
PCNDIDC0098
Chanoclavine
Canonical SMILES: CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)CO
Class: Ergoline and derivatives
Disease: Epilepsy
PCNDIDC0099
chanoclavine-I(1+)
Canonical SMILES: CC(=CC1C(CC2=CNC3=CC=CC1=C23)[NH2+]C)CO
Class: Ergoline and derivatives
Disease: AD
PCNDIDC0100
Chebulagic acid
Canonical SMILES: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDC0101
Chebulic acid
Canonical SMILES: C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0102
Chebulinic acid
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Class: Tannins
Disease: AD
PCNDIDC0103
Chelerythrine
Canonical SMILES: C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5
Class: Benzophenanthridine alkaloids
Disease: AD, PD
PCNDIDC0104
Chelerythrine hydroxide
Canonical SMILES: C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-]
Class: Benzophenanthridine alkaloids
Disease: AD
PCNDIDC0105
Chelidonic acid
Canonical SMILES: C1=C(OC(=CC1=O)C(=O)O)C(=O)O
Class: Pyrans
Disease: AD
PCNDIDC0106
Chelidonine
Canonical SMILES: CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6
Class: Benzophenanthridine alkaloids
Disease: AD, PD
PCNDIDC0107
Chelidonine, 13-methyl-, (14beta)-
Canonical SMILES: CC12C(CC3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O
Class: Benzophenanthridine alkaloids
Disease: PD
PCNDIDC0108
Chelilutine
Canonical SMILES: C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC5=C(C=C42)OCO5
Class: Benzophenanthridine alkaloids
Disease: AD
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
PCNDIDC0110
Cherianoine
Canonical SMILES: CN1C=CC2=CC(=C(C(=C2C1=O)OC)O)OC
Class: Isoquinolines and derivatives
Disease: AD
PCNDIDC0111
Chininum sulphuricum
Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
Class: Cinchona alkaloids
Disease: Epilepsy
PCNDIDC0112
Chitranone
Canonical SMILES: CC1=CC(=O)C2=C(C1=O)C=CC(=C2O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C
Class: Naphthalenes
Disease: AD
PCNDIDC0113
Chlorogenic Acid
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Class: Organooxygen compounds
Disease: AD
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
PCNDIDC0115
Chlorophorin
Canonical SMILES: CC(=CCCC(=CCC1=C(C=C(C=C1O)C=CC2=C(C=C(C=C2)O)O)O)C)C
Class: Stilbenes
Disease: AD
PCNDIDC0116
Cholesterol
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDC0117
Choline
Canonical SMILES: C[N+](C)(C)CCO
Class: Organonitrogen compounds
Disease: AD, PD, Myasthenia Gravis
PCNDIDC0118
Chrysanthemol
Canonical SMILES: CC(=CC1C(C1(C)C)CO)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0119
Chrysin
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Class: Flavonoids
Disease: AD, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDC0120
Chrysin-7-O-glucuronide
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0121
Chrysoeriol
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0122
Chrysoobtusin
Canonical SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)OC
Class: Anthracenes
Disease: AD
PCNDIDC0123
Chrysophanein
Canonical SMILES: CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=CC=C4O
Class: Anthracenes
Disease: AD
PCNDIDC0124
Chrysophanol
Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
Class: Anthracenes
Disease: AD
PCNDIDC0125
Chrysosplenetin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDC0126
Chrysosplenin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0127
Chrysosplenol C
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O
Class: Flavonoids
Disease: AD
PCNDIDC0128
Chymotrypsin
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)CNC(=O)CCC(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0129
Cianidanol
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0130
Cichoralexin
Canonical SMILES: CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0131
Cichoriin
Canonical SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0132
CID 100217
Canonical SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=CC=CC=C45
Class: Ibogan-type alkaloids
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
PCNDIDC0138
CID 115063
Canonical SMILES: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Class: Tannins
Disease: AD, Huntington disease
PCNDIDC0139
CID 11953926
Canonical SMILES: CC=C1C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDC0140
CID 12300053
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Class:
Disease: AD
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
PCNDIDC0143
CID 17750970
Canonical SMILES: COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
Class: Furanoid lignans
Disease: AD
PCNDIDC0144
CID 179413
Canonical SMILES: CC1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C
Class: Prenol lipids
Disease: AD
PCNDIDC0145
CID 182341
Canonical SMILES: CC12C(C3(C1C2(C(=CC3=O)OC)OC)CC=C)C4=CC5=C(C=C4)OCO5
Class: Benzodioxoles
Disease: AD
PCNDIDC0146
CID 21119906
Canonical SMILES: CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O
Class: Prenol lipids
Disease: AD
PCNDIDC0147
CID 21159160
Canonical SMILES: CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Class: Flavonoids
Disease: PD
PCNDIDC0148
CID 3033858
Canonical SMILES: S=[As][S]
Class: Metalloid organides
Disease: PD
PCNDIDC0149
CID 333544
Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3
Class: Aporphines
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
PCNDIDC0155
CID 5748352
Canonical SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
Class: Tetrapyrroles and derivatives
Disease: AD
PCNDIDC0156
CID 6540490
Canonical SMILES: CC=C(C)C(=O)OC1CC2CCC(C1)N2C
Class: Tropane alkaloids
Disease: PD, Epilepsy
PCNDIDC0157
CID 6977891
Canonical SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Class: Indolizidines
Disease: AD
PCNDIDC0158
CID 74607
Canonical SMILES: CCCCCCC=CC=CCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0159
CID 75130910
Canonical SMILES: CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1(C)O)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDC0160
Cimicifugic acid A
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0161
Cimicifugic acid B
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0162
Cimicifugic acid F
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC=C(C=C2)O)(C(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0163
Cimiracemate A
Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)CC2=CC(=C(C=C2)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0164
Cimiracemate B
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)CC2=CC(=C(C=C2)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0165
cinchonain Ib
Canonical SMILES: C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0166
Cinchonine
Canonical SMILES: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
Class: Cinchona alkaloids
Disease: AD
PCNDIDC0167
Cinnamaldehyde
Canonical SMILES: C1=CC=C(C=C1)C=CC=O
Class: Cinnamaldehydes
Disease: AD, PD, Encephalitits, Meningitis
PCNDIDC0168
Cinnamic acid
Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0169
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0170
Cinnamyl alcohol
Canonical SMILES: C1=CC=C(C=C1)C=CCO
Class: Cinnamyl alcohols
Disease: AD, PD
PCNDIDC0171
Cirsilineol
Canonical SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDC0172
Cirsiliol
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC
Class: Flavonoids
Disease: AD
PCNDIDC0173
Cirsimaritin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDC0174
cis,trans,cis-1,2,4-Trimethylcyclohexane
Canonical SMILES: CC1CCC(C(C1)C)C
Class: Saturated hydrocarbons
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
PCNDIDC0179
cis-2,5-Bishydroxymethyl-tetrahydrofuran
Canonical SMILES: C1CC(OC1CO)CO
Class: Oxolanes
Disease: AD
PCNDIDC0180
cis-2-Methoxycinnamic acid
Canonical SMILES: COC1=CC=CC=C1C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDC0181
cis-4-Coumarate
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)[O-]
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0182
cis-4-Hydroxy-L-proline
Canonical SMILES: C1C(CNC1C(=O)O)O
Class: Carboxylic acids and derivatives
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
PCNDIDC0186
cis-Aconitic acid
Canonical SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0187
cis-beta-Farnesene
Canonical SMILES: CC(=CCCC(=CCCC(=C)C=C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0188
cis-Caffeic acid
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDC0189
cis-Ferulic acid
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
Class: Cinnamic acids and derivatives
Disease: PD
PCNDIDC0190
cis-p-2-Menthen-1-ol
Canonical SMILES: CC(C)(C)C1CCC(C=C1)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0191
cis-Pinosylvin
Canonical SMILES: C1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O
Class: Stilbenes
Disease: AD
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
PCNDIDC0195
Citric Acid
Canonical SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0196
Citromitin
Canonical SMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
Class: Flavonoids
Disease: AD
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
PCNDIDC0199
Citrulline
Canonical SMILES: C(CC(C(=O)O)N)CNC(=O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0200
Clarkeanidine
Canonical SMILES: COC1=C(C2=C(CCN3C2CC4=C(C3)C(=C(C=C4)OC)O)C=C1)O
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDC0201
Clausenamide
Canonical SMILES: CN1C(C(C(C1=O)O)C2=CC=CC=C2)C(C3=CC=CC=C3)O
Class: Pyrrolidines
Disease: AD
PCNDIDC0202
Cleomiscosin A
Canonical SMILES: COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O
Class: Coumarinolignans
Disease: AD
PCNDIDC0203
Cleomiscosin C
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO
Class: Coumarinolignans
Disease: AD
PCNDIDC0204
Clitoriacetal
Canonical SMILES: COC1=CC(=C2C(=C1)OC3C(OC4=CC(=C(C=C4C3(C2=O)O)OC)OC)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDC0205
Clusin
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2C(COC2O)CC3=CC4=C(C=C3)OCO4
Class: Furanoid lignans
Disease: AD
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
PCNDIDC0207
Cnidiadin
Canonical SMILES: CC(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0208
Cnidilide
Canonical SMILES: CCCCC1C2CCC=CC2C(=O)O1
Class: Isobenzofurans
Disease: AD, PD
PCNDIDC0209
Cnidilin
Canonical SMILES: CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0210
Cnidimol B
Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(CO)O)O
Class: Benzopyrans
Disease: AD
PCNDIDC0211
Cniforin A
Canonical SMILES: CC(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0212
Cocaine
Canonical SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
Class: Benzene and substituted derivatives
Disease: AD, PD, Huntington disease
PCNDIDC0213
Coclaurine
Canonical SMILES: COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
Class: Isoquinolines and derivatives
Disease: AD, PD
PCNDIDC0214
Codeine
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Class: Morphinans
Disease: AD, PD
PCNDIDC0215
Codonopsine
Canonical SMILES: CC1C(C(C(N1C)C2=CC(=C(C=C2)OC)OC)O)O
Class: Pyrrolidines
Disease: AD, PD
PCNDIDC0216
Coelogin
Canonical SMILES: COC1=C(C(=C2COC3=CC(=CC4=C3C2=C1CC4)O)O)OC
Class: Phenanthrenes and derivatives
Disease: AD, PD
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
PCNDIDC0219
Coixol
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)O2
Class: Benzoxazoles
Disease: AD, PD
PCNDIDC0220
Colchicine
Canonical SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Class: Tropones
Disease: PD, Meningitis, Myasthenia Gravis
PCNDIDC0221
Colchicoside
Canonical SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
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
PCNDIDC0225
Columbamine
Canonical SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDC0226
Columbianadin
Canonical SMILES: CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0227
Columbianetin
Canonical SMILES: CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDC0228
Columbianetin acetate
Canonical SMILES: CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Class: Coumarins and derivatives
Disease: AD
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
PCNDIDC0232
Coniferin
Canonical SMILES: COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0233
Coniferyl alcohol
Canonical SMILES: COC1=C(C=CC(=C1)C=CCO)O
Class: Phenols
Disease: AD, PD
PCNDIDC0234
Coniferyl benzoate
Canonical SMILES: COC1=C(C=CC(=C1)C=CCOC(=O)C2=CC=CC=C2)O
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDC0235
Coniferyl ferulate
Canonical SMILES: COC1=C(C=CC(=C1)C=CCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDC0236
Copaene
Canonical SMILES: CC1=CCC2C3C1C2(CCC3C(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0237
Copper salicylate
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)O)O.[Cu]
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDC0238
Coptisine
Canonical SMILES: C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDC0239
Cordycepin
Canonical SMILES: C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO
Class: Purine nucleosides
Disease: AD, PD
PCNDIDC0240
Coreximine
Canonical SMILES: COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDC0241
Coriandrin
Canonical SMILES: CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC
Class: Isocoumarins and derivatives
Disease: PD
PCNDIDC0242
Coriandrone A
Canonical SMILES: CC1CC2=CC(=C3CC(OC3=C2C(=O)O1)C(C)(C)O)OC
Class: Benzopyrans
Disease: AD, PD
PCNDIDC0243
Corilagin
Canonical SMILES: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
Class: Tannins
Disease: AD, PD, Meningitis, Myasthenia Gravis
PCNDIDC0244
Cornudentanone
Canonical SMILES: CCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
Class: Fatty Acyls
Disease: AD
PCNDIDC0245
Coronaridine
Canonical SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
Class: Ibogan-type alkaloids
Disease: AD, PD
PCNDIDC0246
Corybulbine
Canonical SMILES: CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)O)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDC0247
Corycavine
Canonical SMILES: CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5
Class: Protopine alkaloids
Disease: AD, PD
PCNDIDC0248
Corydaline
Canonical SMILES: CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDC0249
Corydalmine
Canonical SMILES: COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDC0250
Corydamine
Canonical SMILES: CNCCC1=CC2=C(C=C1C3=NC=C4C(=C3)C=CC5=C4OCO5)OCO2
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDC0251
Corydine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)OC
Class: Aporphines
Disease: PD
PCNDIDC0252
Corynantheine
Canonical SMILES: COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC
Class: Corynanthean-type alkaloids
Disease: PD
PCNDIDC0253
Corynoline
Canonical SMILES: CC12C(CC3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O
Class: Benzophenanthridine alkaloids
Disease: AD, PD
PCNDIDC0254
Corynoloxine
Canonical SMILES: CC12C3CC4=CC5=C(C=C4C1N(C(O3)C6=C2C=CC7=C6OCO7)C)OCO5
Class: Benzophenanthridine alkaloids
Disease: AD, PD
PCNDIDC0255
Corynoxeine
Canonical SMILES: COC=C(C1CC2C3(CCN2CC1C=C)C4=CC=CC=C4NC3=O)C(=O)OC
Class: Indolizidines
Disease: AD
PCNDIDC0256
Corypalline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1)O)OC
Class: Tetrahydroisoquinolines
Disease: AD, PD
PCNDIDC0257
Corytuberine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC
Class: Aporphines
Disease: AD, PD
PCNDIDC0258
Cosmosiin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0259
Costaclavin
Canonical SMILES: CC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
Class: Ergoline and derivatives
Disease: AD, PD
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
PCNDIDC0262
Coumaperine
Canonical SMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC=C(C=C2)O
Class: Piperidines
Disease: AD, PD
PCNDIDC0263
Coumarin
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=O)O2
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0264
Coumarin 343
Canonical SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0265
Coumestrol
Canonical SMILES: C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O
Class: Isoflavonoids
Disease: AD
PCNDIDC0266
Coumurrayin
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDC0267
Creatine
Canonical SMILES: CN(CC(=O)O)C(=N)N
Class: Carboxylic acids and derivatives
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
PCNDIDC0270
Crotin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC(=C(C=C3)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDC0271
Crotonaldehyde
Canonical SMILES: CC=CC=O
Class: Organooxygen compounds
Disease: Meningitis, Myasthenia Gravis
PCNDIDC0272
Crotonic acid
Canonical SMILES: CC=CC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDC0273
Croweacin
Canonical SMILES: COC1=C(C=CC2=C1OCO2)CC=C
Class: Benzodioxoles
Disease: AD, PD
PCNDIDC0274
Cryptolepine
Canonical SMILES: CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3
Class: Quinolines and derivatives
Disease: AD
PCNDIDC0275
Cryptopine
Canonical SMILES: CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC
Class: Protopine alkaloids
Disease: AD, PD
PCNDIDC0276
Cryptotanshinone
Canonical SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0277
Cubebin
Canonical SMILES: C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
Class: Furanoid lignans
Disease: AD
PCNDIDC0278
Cubebinin
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2COC(C2CC3=CC(=C(C(=C3)OC)OC)OC)O
Class: Furanoid lignans
Disease: AD
PCNDIDC0279
Cubebininolide
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC
Class: Furanoid lignans
Disease: AD
PCNDIDC0280
Cubebinone
Canonical SMILES: COC1=CC(=CC2=C1OCO2)CC3C(COC3=O)CC4=CC(=C(C(=C4)OC)OC)OC
Class: Furanoid lignans
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
PCNDIDC0282
Cularicine
Canonical SMILES: CN1CCC2=C3C1CC4=CC5=C(C=C4OC3=C(C=C2)O)OCO5
Class: Cularin alkaloids and derivatives
Disease: PD
PCNDIDC0283
Cularine
Canonical SMILES: CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC
Class: Cularin alkaloids and derivatives
Disease: Epilepsy
PCNDIDC0284
Cuparene
Canonical SMILES: CC1=CC=C(C=C1)C2(CCCC2(C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0285
Curculigoside
Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0286
Curculigoside B
Canonical SMILES: COC1=CC=CC(=C1C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
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
PCNDIDC0289
Curcumin
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Class: Diarylheptanoids
Disease: PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDC0290
Curcumol
Canonical SMILES: CC1CCC2C13CC(C(O3)(CC2=C)O)C(C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0291
Curine
Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Class: Organooxygen compounds
Disease: PD
PCNDIDC0292
Curlone
Canonical SMILES: CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1
Class: Prenol lipids
Disease: AD
PCNDIDC0293
Currayanine
Canonical SMILES: CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(=C)C)C)NC5=CC=CC=C52
Class: Indoles and derivatives
Disease: AD
PCNDIDC0294
Curzerene
Canonical SMILES: CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDC0295
Cusparine
Canonical SMILES: COC1=CC(=NC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4
Class: Quinolines and derivatives
Disease: Epilepsy
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
PCNDIDC0297
Cyanidin
Canonical SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O
Class: Flavonoids
Disease: AD, PD, Huntington disease
PCNDIDC0298
Cyanidin 3-O-rutinoside
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0299
Cyanin
Canonical SMILES: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0300
Cyclanoline
Canonical SMILES: C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)O)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD
PCNDIDC0301
Cycleanine
Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDC0302
Cyclic AMP
Canonical SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
Class: Purine nucleotides
Disease: AD
PCNDIDC0303
Cyclo(Tyr-Val)
Canonical SMILES: CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0304
Cycloalliin
Canonical SMILES: CC1CS(=O)CC(N1)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
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
PCNDIDC0306
Cyclobutanol, 1-ethyl-
Canonical SMILES: CCC1(CCC1)O
Class: Organooxygen compounds
Disease: AD
PCNDIDC0307
Cyclobuxine D
Canonical SMILES: CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5=C)NC)C)C)O)NC
Class: Prenol lipids
Disease: AD
PCNDIDC0308
Cyclocurcumin
Canonical SMILES: COC1=C(C=CC(=C1)C=CC2=CC(=O)CC(O2)C3=CC(=C(C=C3)O)OC)O
Class: Diarylheptanoids
Disease: AD, PD
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
PCNDIDC0310
Cyclodecene, 1-methyl-
Canonical SMILES: CC1=CCCCCCCCC1
Class: Unsaturated hydrocarbons
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
PCNDIDC0314
Cyclohexyldimethoxymethylsilane
Canonical SMILES: CO[Si](C)(C1CCCCC1)OC
Class: Organometalloid compounds
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
PCNDIDC0316
Cyclomorusin
Canonical SMILES: CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C
Class: Flavonoids
Disease: AD
PCNDIDC0317
Cyclomulberrin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDC0318
Cyclooctene, 3-(2-propenyl)-
Canonical SMILES: C=CCC1CCCCCC=C1
Class: Unsaturated hydrocarbons
Disease: AD
PCNDIDC0319
Cyclopentane, 2-ethylidene-1,1-dimethyl-
Canonical SMILES: CC=C1CCCC1(C)C
Class: Unsaturated hydrocarbons
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
PCNDIDC0322
Cykazine
Canonical SMILES: C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-]
Class: Organooxygen compounds
Disease: AD
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
PCNDIDC0324
Cynaroside
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDC0325
Cyperene
Canonical SMILES: CC1CCC2CC3=C(CCC13C2(C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDC0326
Cyperolone
Canonical SMILES: CC(=C)C1CCC2(CCC(C2(C1)C(=O)C)O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDC0327
Cyprotene
Canonical SMILES: CC=C1CC2CCC(C1(C2(C)C)C)C
Class: Unsaturated hydrocarbons
Disease: AD
PCNDIDC0328
Cysteamine
Canonical SMILES: C(CS)N
Class: Thiols
Disease: AD
PCNDIDC0329
Cysteine
Canonical SMILES: C(C(C(=O)O)N)S
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDC0330
Cytisine
Canonical SMILES: C1C2CNCC1C3=CC=CC(=O)N3C2
Class: Lupin alkaloids
Disease: AD
PCNDIDC0331
Cytochalasin B
Canonical SMILES: CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O
Class: Cytochalasans
Disease: Meningitis