Showing results for M
Total number of hits: 179
Click on results for more details:
PCNDIDM0001
Maackiain
Canonical SMILES: C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
Class: Isoflavonoids
Disease: AD
PCNDIDM0002
Macelignan
Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC
Class: Dibenzylbutane lignans
Disease: AD, PD
PCNDIDM0003
Machilin D
Canonical SMILES: CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)O)OC)O)OC
Class:
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
PCNDIDM0005
Maesanin
Canonical SMILES: CCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDM0006
Magnesium bis(3-methyl-1-butanolate)
Canonical SMILES: CC(C)CC[O-].CC(C)CC[O-].[Mg+2]
Class: Organic oxides
Disease: AD
PCNDIDM0007
Magnocurarine
Canonical SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)C
Class: Isoquinolines and derivatives
Disease: PD, Epilepsy
PCNDIDM0008
Magnoflorine
Canonical SMILES: C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Class: Aporphines
Disease: AD, PD
PCNDIDM0009
Magnolol
Canonical SMILES: C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O
Class: Benzene and substituted derivatives
Disease: AD, PD, Meningitis
PCNDIDM0010
Magnolone
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2COC(C2CO)C3=CC4=C(C=C3)OCO4)OC
Class: Furanoid lignans
Disease: AD
PCNDIDM0011
Mahanimbine
Canonical SMILES: CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42
Class: Indoles and derivatives
Disease: AD
PCNDIDM0012
Mahanine
Canonical SMILES: CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O
Class: Indoles and derivatives
Disease: AD
PCNDIDM0013
Malabaricone B
Canonical SMILES: C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC=C(C=C2)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0014
Malabaricone C
Canonical SMILES: C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C=C2)O)O)O
Class: Organooxygen compounds
Disease: Epilepsy
PCNDIDM0015
Malathion
Canonical SMILES: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
Class: Fatty Acyls
Disease: Epilepsy, Canavan
PCNDIDM0016
Maleic Acid
Canonical SMILES: C(=CC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0017
Malonic acid
Canonical SMILES: C(C(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0018
Malonyldaidzin
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0019
Maltol
Canonical SMILES: CC1=C(C(=O)C=CO1)O
Class: Pyrans
Disease: AD
PCNDIDM0020
Malvalic acid
Canonical SMILES: CCCCCCCCC1=C(C1)CCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0021
Malvidin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDM0022
Malvin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=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
Class: Flavonoids
Disease: AD
PCNDIDM0023
Mangiferin
Canonical SMILES: C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDM0024
Margaspidin
Canonical SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)C)OC)O)C)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0025
Marmin
Canonical SMILES: CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O
Class: Coumarins and derivatives
Disease: AD, Epilepsy
PCNDIDM0026
Martynoside
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
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
PCNDIDM0028
Matairesinol
Canonical SMILES: COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
Class: Furanoid lignans
Disease: AD
PCNDIDM0029
Matrine
Canonical SMILES: C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
Class: Lupin alkaloids
Disease: AD, PD, Meningitis
PCNDIDM0030
Mauritine D
Canonical SMILES: CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(C(C)CC)N(C)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0031
m-Cresol
Canonical SMILES: CC1=CC(=CC=C1)O
Class: Phenols
Disease: AD, PD, Myasthenia Gravis
PCNDIDM0032
Mearnsetin
Canonical SMILES: COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDM0033
Mecambridine
Canonical SMILES: COC1=C(C(=C2CC3C4=C(C5=C(C=C4CCN3CC2=C1)OCO5)OC)CO)OC
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDM0034
Medicagol
Canonical SMILES: C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C(C=C5)O)OC4=O
Class: Isoflavonoids
Disease: AD
PCNDIDM0035
Medicarpin 3-O-glucoside
Canonical SMILES: COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0036
Medioresinol
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC
Class: Furanoid lignans
Disease: AD
PCNDIDM0037
Melafolone
Canonical SMILES: CCC(C)C(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)C=CC2=CC=CC=C2)OC
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDM0038
Melanin
Canonical SMILES: CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O
Class: Anthracenes
Disease: AD, PD
PCNDIDM0039
Melatonin
Canonical SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Class: Indoles and derivatives
Disease: AD, PD
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
PCNDIDM0041
Melianoninol
Canonical SMILES: COC1=CC2=C(C=C1)OC(C2CO)C3=C(C=C(C(=C3)O)C=CC=O)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0042
Melilotoside
Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0043
Menisporphine
Canonical SMILES: COC1=CC2=C(C=C1)C3=NC=CC4=CC(=C(C(=C43)C2=O)OC)OC
Class: Isoaporphines
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
PCNDIDM0047
Meperidine
Canonical SMILES: CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
Class: Piperidines
Disease: AD, PD
PCNDIDM0048
Meranzin hydrate
Canonical SMILES: CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O
Class: Coumarins and derivatives
Disease: AD
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
PCNDIDM0051
Mescaline
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CCN
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0052
Mesquitol
Canonical SMILES: C1C(C(OC2=C1C=CC(=C2O)O)C3=CC(=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDM0053
Metacetamol
Canonical SMILES: CC(=O)NC1=CC(=CC=C1)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0054
Methacrylic Acid
Canonical SMILES: CC(=C)C(=O)O
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0055
Methionine
Canonical SMILES: CSCCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0056
Methoxsalen
Canonical SMILES: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDM0057
Methoxyacetic acid, 2-tridecyl ester
Canonical SMILES: CCCCCCCCCCCC(C)OC(=O)COC
Class: Fatty Acyls
Disease: AD
PCNDIDM0058
Methoxychelidonine
Canonical SMILES: COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2
Class: Benzophenanthridine alkaloids
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
PCNDIDM0061
methyl (14Z)-14-ethylidene-4,6-dimethoxy-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
Canonical SMILES: CC=C1CN2C3CC1C(C45C3(NC6=C4C=C(C=C6OC)OC)OC2C5)C(=O)OC
Class: Indoles and derivatives
Disease: AD
PCNDIDM0062
methyl (17R)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Canonical SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC)C(=O)OC
Class: Ibogan-type alkaloids
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
PCNDIDM0069
methyl (Z)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Canonical SMILES: COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC
Class: Corynanthean-type alkaloids
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
PCNDIDM0072
Methyl 2-(aminomethyl)benzoate Hydrochloride
Canonical SMILES: COC(=O)C1=CC=CC=C1CN.Cl
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0073
Methyl 2-(methylamino)benzoate
Canonical SMILES: CNC1=CC=CC=C1C(=O)OC
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0074
Methyl 2,4-dihydroxy-3,6-dimethylbenzoate
Canonical SMILES: CC1=CC(=C(C(=C1C(=O)OC)O)C)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0075
Methyl 2,4-dimethoxy-6-methylbenzoate
Canonical SMILES: CC1=CC(=CC(=C1C(=O)OC)OC)OC
Class: Benzene and substituted derivatives
Disease: AD, PD
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
PCNDIDM0077
Methyl 2-ethylhexyl phthalate
Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0078
Methyl 2-furoate
Canonical SMILES: COC(=O)C1=CC=CO1
Class: Furans
Disease: Huntington disease
PCNDIDM0079
Methyl 2-hydroxy-3,4-dimethoxybenzoate
Canonical SMILES: COC1=C(C(=C(C=C1)C(=O)OC)O)OC
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0080
Methyl 2-isocyano-2-methylpropanoate
Canonical SMILES: CC(C)(C(=O)OC)[N+]#[C-]
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0081
Methyl 2-pentanoylbenzoate
Canonical SMILES: CCCCC(=O)C1=CC=CC=C1C(=O)OC
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDM0082
Methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)benzoate
Canonical SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C(=C(C=C2C(=O)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: AD
PCNDIDM0083
Methyl 3,4-dihydroxybenzoate
Canonical SMILES: COC(=O)C1=CC(=C(C=C1)O)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0084
Methyl 3,4-dimethoxybenzoate
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)OC)OC
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0085
Methyl 3-hydroxy-4-methoxybenzoate
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)OC)O
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0086
Methyl 3-methyl-2-pentenoate
Canonical SMILES: CCC(=CC(=O)OC)C
Class: Fatty Acyls
Disease: AD
PCNDIDM0087
Methyl 4-hydroxyphenylacetate
Canonical SMILES: COC(=O)CC1=CC=C(C=C1)O
Class: Phenols
Disease: AD, PD
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
PCNDIDM0091
methyl 9H-pyrido[3,4-b]indole-1-carboxylate
Canonical SMILES: COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23
Class: Harmala alkaloids
Disease: AD
PCNDIDM0092
Methyl acetate
Canonical SMILES: CC(=O)OC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0093
Methyl anthranilate
Canonical SMILES: COC(=O)C1=CC=CC=C1N
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0094
Methyl arachidonate
Canonical SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0095
Methyl caffeate
Canonical SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
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
PCNDIDM0097
Methyl chlorogenate
Canonical SMILES: COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0098
Methyl cinnamate
Canonical SMILES: COC(=O)C=CC1=CC=CC=C1
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDM0099
Methyl Ethyl Ketone
Canonical SMILES: CCC(=O)C
Class: Organooxygen compounds
Disease: AD
PCNDIDM0100
Methyl farnesoate
Canonical SMILES: CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C
Class: Prenol lipids
Disease: AD
PCNDIDM0101
Methyl ferulate
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDM0102
Methyl gallate
Canonical SMILES: COC(=O)C1=CC(=C(C(=C1)O)O)O
Class: Benzene and substituted derivatives
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
PCNDIDM0105
Methyl isoeugenol
Canonical SMILES: CC=CC1=CC(=C(C=C1)OC)OC
Class: Benzene and substituted derivatives
Disease: AD, PD
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
PCNDIDM0112
Methyl phenylacetate
Canonical SMILES: COC(=O)CC1=CC=CC=C1
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0113
Methyl propionate
Canonical SMILES: CCC(=O)OC
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0114
Methyl ricinoleate
Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OC)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0115
Methyl Salicylate
Canonical SMILES: COC(=O)C1=CC=CC=C1O
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0116
Methyl vaccenate
Canonical SMILES: CCCCCCC=CCCCCCCCCCC(=O)OC
Class: Fatty Acyls
Disease: AD
PCNDIDM0117
Methyl vinyl ketone
Canonical SMILES: CC(=O)C=C
Class: Organooxygen compounds
Disease: AD
PCNDIDM0118
Methylamine, N-(1-ethylpentylidene)-
Canonical SMILES: CCCCC(=NC)CC
Class: Organonitrogen compounds
Disease: AD
PCNDIDM0119
Methylenetanshinquinone
Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C
Class: Prenol lipids
Disease: AD, PD
PCNDIDM0120
Methylephedrine
Canonical SMILES: CC(C(C1=CC=CC=C1)O)N(C)C
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0121
Methyleugenol
Canonical SMILES: COC1=C(C=C(C=C1)CC=C)OC
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0122
Methylglyoxal
Canonical SMILES: CC(=O)C=O
Class: Organooxygen compounds
Disease: PD
PCNDIDM0123
Methylhydroquinone
Canonical SMILES: CC1=C(C=CC(=C1)O)O
Class: Phenols
Disease: AD
PCNDIDM0124
Methylisoeugenol
Canonical SMILES: CC=CC1=CC(=C(C=C1)OC)OC
Class: Benzene and substituted derivatives
Disease: PD, Epilepsy
PCNDIDM0125
Methylparaben
Canonical SMILES: COC(=O)C1=CC=C(C=C1)O
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDM0126
Methysticin
Canonical SMILES: COC1=CC(=O)OC(C1)C=CC2=CC3=C(C=C2)OCO3
Class: Kavalactones
Disease: AD
PCNDIDM0127
Microginin
Canonical SMILES: CCCCCCCC(C(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)O)N
Class: Peptidomimetics
Disease: AD
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
PCNDIDM0130
Mimosine
Canonical SMILES: C1=CN(C=C(C1=O)O)CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDM0131
Mirificin
Canonical SMILES: C1C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0132
Mitragynine
Canonical SMILES: CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC
Class: Corynanthean-type alkaloids
Disease: AD
PCNDIDM0133
Mitraphyllic acid
Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)O)C5=CC=CC=C5NC4=O
Class: Indolizidines
Disease: AD, PD
PCNDIDM0134
Mitraphylline
Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Class: Indolizidines
Disease: AD
PCNDIDM0135
Mitrinermine
Canonical SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Class: Indolizidines
Disease: PD, Epilepsy
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
PCNDIDM0137
Mollislactone
Canonical SMILES: CC=C1C2=CCCC=C(CCCC2OC1=O)C
Class: Lactones
Disease: AD
PCNDIDM0138
Mollugin
Canonical SMILES: CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
Class: Naphthopyrans
Disease: AD, PD
PCNDIDM0139
Monachosorin A
Canonical SMILES: CC1=CC2=C(C(=C1CCO)C)C(=O)C(=CC3=C(C(=C4C(=C3)CCC4=O)C)CCO)C2
Class: Indanes
Disease: AD
PCNDIDM0140
Monobutyl phthalate
Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDM0141
Monocrotaline
Canonical SMILES: CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O
Class: Pyrrolizines
Disease: AD
PCNDIDM0142
Monomethyl succinate
Canonical SMILES: COC(=O)CCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0143
Morachalcone A
Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDM0144
Moracin A
Canonical SMILES: COC1=CC2=C(C=C(O2)C3=CC(=CC(=C3)O)O)C(=C1)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0145
Moracin B
Canonical SMILES: COC1=CC(=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)OC)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0146
Moracin D
Canonical SMILES: CC1(C=CC2=C(C=C(C=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0147
Moracin E
Canonical SMILES: CC1(C=CC2=C(C=C(C=C2O1)O)C3=CC4=C(O3)C=C(C=C4)O)C
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0148
Moracin F
Canonical SMILES: COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)OC
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0149
Moracin G
Canonical SMILES: CC1=CCC2=C(C=CC3=C2OC(=C3)C4=CC(=CC(=C4)O)O)OC1
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0150
Moracin H
Canonical SMILES: CC1=CCC2=C3C(=C(C=C2OC1)OC)C=C(O3)C4=CC(=CC(=C4)O)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0151
Moracin O
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0152
Morin
Canonical SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDM0153
Morphine
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Class: Morphinans
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis
PCNDIDM0154
Morusin
Canonical SMILES: CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDM0155
Mosloflavone
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)OC
Class: Flavonoids
Disease: AD
PCNDIDM0156
Moupinamide
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
Class: Phenols
Disease: AD
PCNDIDM0157
Mudanoside A
Canonical SMILES: COC1=C(C=CC(=C1)C(=O)OCC2C(C(C(C(O2)O)O)O)O)O
Class: Tannins
Disease: AD
PCNDIDM0158
Mulberrin
Canonical SMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDM0159
Mulberrofuran A
Canonical SMILES: CC(=CCCC(=CCC1=C(C=C(C=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O)C)C
Class: 2-arylbenzofuran flavonoids
Disease: AD
PCNDIDM0160
Mulberroside C
Canonical SMILES: CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)OC5C(C(C(CO5)O)O)O)O)O)C
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD
PCNDIDM0161
Muningin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O
Class: Isoflavonoids
Disease: AD
PCNDIDM0162
Muracein A
Canonical SMILES: CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)N)N)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0163
Muracein B
Canonical SMILES: CC(C(=O)N(C(C)C(=O)O)C(=O)C(C)NC(=O)C(CCC(C(C(=O)N)N)C(=O)CCC(C(=O)O)N)N)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDM0164
Muracein C
Canonical SMILES: CC(C=O)OC1C(C(OC(C1O)CO)O)NC(=O)C
Class: Organooxygen compounds
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
PCNDIDM0166
Musizin glucoside, 6-hydroxy
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0167
m-Xylene
Canonical SMILES: CC1=CC(=CC=C1)C
Class: Benzene and substituted derivatives
Disease: Meningitis
PCNDIDM0168
Mycosinol
Canonical SMILES: CC#CC#CC=C1C=CC2(O1)C(C=CO2)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0169
Myrcene
Canonical SMILES: CC(=CCCC(=C)C=C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDM0170
Myrcenol
Canonical SMILES: CC(C)(CCCC(=C)C=C)O
Class: Organooxygen compounds
Disease: AD
PCNDIDM0171
Myricanone
Canonical SMILES: COC1=C2C=C(CCCCC(=O)CCC3=CC2=C(C=C3)O)C(=C1OC)O
Class: Diarylheptanoids
Disease: AD
PCNDIDM0172
Myricetin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD, Huntington disease, Meningitis
PCNDIDM0173
Myricetin 3-O-glucuronide
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDM0174
Myricitrin
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDM0175
Myristic Acid
Canonical SMILES: CCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDM0176
Myristicin
Canonical SMILES: COC1=CC(=CC2=C1OCO2)CC=C
Class: Benzodioxoles
Disease: AD, PD
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
PCNDIDM0179
Myrtillin
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]
Class: Flavonoids
Disease: AD, PD