Showing results for S
Total number of hits: 192
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PCNDIDS0001
S-adenosylmethionine
Canonical SMILES: C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
Class: 5'-deoxyribonucleosides
Disease: AD
PCNDIDS0002
Safflor Yellow A
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(C4C(C(C(C(O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDS0003
Safranal
Canonical SMILES: CC1=C(C(CC=C1)(C)C)C=O
Class: Organic oxides
Disease: AD, PD
PCNDIDS0004
Safrole
Canonical SMILES: C=CCC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDS0005
Sagittatoside A
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)OC5C(C(C(C(O5)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0006
Saikosaponin D
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0007
Saikosaponin-a
Canonical SMILES: CC1C(C(C(C(O1)COC2CCC3(C(C2CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)COC8C(C(C(C(O8)CO)O)O)O)O
Class:
Disease: AD
PCNDIDS0008
Salicin
Canonical SMILES: C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
Class: Organooxygen compounds
Disease: AD, PD
PCNDIDS0009
Salicyl alcohol
Canonical SMILES: C1=CC=C(C(=C1)CO)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDS0010
Salicylaldehyde
Canonical SMILES: C1=CC=C(C(=C1)C=O)O
Class: Organooxygen compounds
Disease: Canavan
PCNDIDS0011
Salicylaldoxime
Canonical SMILES: C1=CC=C(C(=C1)C=NO)O
Class: Phenols
Disease: PD
PCNDIDS0012
Salicylamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)N)O
Class: Phenols
Disease: AD
PCNDIDS0013
Salicylate
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)[O-]
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDS0014
Salicylic Acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDS0015
Salidroside
Canonical SMILES: C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O
Class: Organooxygen compounds
Disease: AD, PD, Meningitis
PCNDIDS0016
Salireposide
Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0017
s-Allyl cysteine sulfoxide
Canonical SMILES: C=CCS(=O)OC(=O)C(CS)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0018
S-allyl-L-cysteine
Canonical SMILES: C=CCSCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0019
s-Allylmercaptocysteine
Canonical SMILES: C=CCSSCC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0020
Salsoline
Canonical SMILES: CC1C2=CC(=C(C=C2CCN1)O)OC
Class: Tetrahydroisoquinolines
Disease: AD
PCNDIDS0021
Salsolinol
Canonical SMILES: CC1C2=CC(=C(C=C2CCN1)O)O
Class: Tetrahydroisoquinolines
Disease: AD, PD
PCNDIDS0022
Salutaridine
Canonical SMILES: CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC
Class: Phenanthrenes and derivatives
Disease: PD, Epilepsy
PCNDIDS0023
Salvianic acid B
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
Class: 2-arylbenzofuran flavonoids
Disease: AD, PD, Huntington disease, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDS0024
Salvianolic acid A
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O
Class: Stilbenes
Disease: AD, PD, Huntington disease
PCNDIDS0025
Salvianolic acid G
Canonical SMILES: C1C(C(=O)C2=CC3=C(C(=C(C=C3)O)O)OC4=C(C=CC1=C24)O)C(=O)O
Class: Benzoxepines
Disease: AD
PCNDIDS0026
Salvigenin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0027
Salvilenone
Canonical SMILES: CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C
Class: Phenalenes
Disease: AD
PCNDIDS0028
Salviolone
Canonical SMILES: CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0029
Sambacein I
Canonical SMILES: CC=C(C=O)C(CC=O)CC(=O)OCC1C(C(CC1C(CO)COC(=O)CC(CC=O)C(=CC)C=O)OC(=O)CC(CC=O)C(=CC)C=O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0030
Sambacoside A
Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(CC3C(CO)COC(=O)CC4C(=COC(C4=CC)OC5C(C(C(C(O5)CO)O)O)O)C(=O)OC)OC(=O)CC6C(=COC(C6=CC)OC7C(C(C(C(O7)CO)O)O)O)C(=O)OC)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0031
Sanggenol A
Canonical SMILES: CC(=CCCC(=CCC1=C(C=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0032
Sanggenol L
Canonical SMILES: CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0033
Sanggenol N
Canonical SMILES: CC(=CCC1=CC(=C(C2=C1OC(C=C2)(C)C)O)C3CC(=O)C4=C(C=C(C=C4O3)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0034
Sanggenone H
Canonical SMILES: CC1(C=CC2=C(C=CC(=C2O1)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0035
Sanggenone K
Canonical SMILES: CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0036
Sanguinarine
Canonical SMILES: C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Class: Benzophenanthridine alkaloids
Disease: AD, PD
PCNDIDS0037
Sanjoinenine
Canonical SMILES: CC(C)CC1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C=CC3=CC=CC=C3)C(C)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0038
Sanjoinine B
Canonical SMILES: CC(C)CC1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)NC)C(C)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0039
Santalol
Canonical SMILES: CC(=CCCC1(C2CCC(C2)C1=C)C)CO
Class: Prenol lipids
Disease: AD
PCNDIDS0040
Santamarine
Canonical SMILES: CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0041
Saponarin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0042
Sappanchalcone
Canonical SMILES: COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC(=C(C=C2)O)O
Class: Linear 1,3-diarylpropanoids
Disease: AD, PD
PCNDIDS0043
Saringosterol
Canonical SMILES: CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)(C=C)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDS0044
Sarisan
Canonical SMILES: COC1=CC2=C(C=C1CC=C)OCO2
Class: Benzodioxoles
Disease: AD, PD
PCNDIDS0045
Sarracine
Canonical SMILES: CC=C(C)C(=O)OC1CCN2C1C(CC2)COC(=O)C(=CC)CO
Class: Pyrrolizidines
Disease: Epilepsy
PCNDIDS0046
Sativanone
Canonical SMILES: COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC
Class: Isoflavonoids
Disease: AD
PCNDIDS0047
Sauchinone
Canonical SMILES: CC1CC2C3C(C1C)C4=CC5=C(C=C4OC36C(=CC2=O)OCO6)OCO5
Class: Benzopyrans
Disease: AD, PD
PCNDIDS0048
Saulatine
Canonical SMILES: COC1=C(C2=C(C=C1)C3C(=O)C4=CC(=C(C=C4CCN3C(=O)C2)OC)OC)OC
Class: Benzazepines
Disease: AD
PCNDIDS0049
Scandenolide
Canonical SMILES: CC(=O)OC1CC2C(O2)(CC3C(C4C=C1C(=O)O4)C(=C)C(=O)O3)C
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0050
Schisandrin
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Class: Tannins
Disease: AD, PD
PCNDIDS0051
Schisanhenol
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC
Class: Tannins
Disease: AD, PD
PCNDIDS0052
Schisantherin B
Canonical SMILES: CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC
Class: Tannins
Disease: PD, Epilepsy
PCNDIDS0053
Schizandrer A
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDS0054
Schizandrin
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
PCNDIDS0055
Schizandrin C
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4CC1C)OCO5)OC)OC)OCO3
Class: Tannins
Disease: AD
PCNDIDS0056
Schizonepetoside A
Canonical SMILES: CC1CCC(C(=O)C1)C(=COC2C(C(C(C(O2)CO)O)O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0057
Schizonepetoside B
Canonical SMILES: CC1CCC(C(=O)C1)C2(COC3C(O2)C(C(C(O3)CO)O)O)C
Class: Pyranodioxins
Disease: AD
PCNDIDS0058
Schizonepetoside D
Canonical SMILES: CC1CCC(C(=O)C1)C(=C)COC2C(C(C(C(O2)CO)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0059
Sciadopitysin
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDS0060
Scoparone
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDS0061
Scopolamine
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
Class: Hydroxy acids and derivatives
Disease: PD, Epilepsy
PCNDIDS0062
Scopoletin
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDS0063
Scopolin
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0064
Scutellarein
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0065
Scutellarin
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
Class: Flavonoids
Disease: AD, Meningitis
PCNDIDS0066
Scutevulin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0067
Secoisolariciresinol
Canonical SMILES: COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O
Class: Dibenzylbutane lignans
Disease: AD, PD, Meningitis
PCNDIDS0068
Secologanate
Canonical SMILES: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC=O
Class: Prenol lipids
Disease: AD
PCNDIDS0069
Secologanin
Canonical SMILES: COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0070
Secologanoside
Canonical SMILES: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC(=O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0071
Securinine
Canonical SMILES: C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
Class: Indolizidines
Disease: AD
PCNDIDS0072
Selagine
Canonical SMILES: CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3
Class: Quinolines and derivatives
Disease: AD
PCNDIDS0073
Selina-4(14),7(11)-dien-8-one
Canonical SMILES: CC(=C1CC2C(=C)CCCC2(CC1=O)C)C
Class: Prenol lipids
Disease: AD
PCNDIDS0074
Se-methylselenocysteine
Canonical SMILES: C[Se]CC(C(=O)O)N
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0075
Semilicoisoflavone B
Canonical SMILES: CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
Class: Isoflavonoids
Disease: AD, PD
PCNDIDS0076
Senkyunolide A
Canonical SMILES: CCCCC1C2=C(C=CCC2)C(=O)O1
Class: Isobenzofurans
Disease: AD, Myasthenia Gravis
PCNDIDS0077
Senkyunolide C
Canonical SMILES: CCCC=C1C2=C(C=CC(=C2)O)C(=O)O1
Class: Isocoumarans
Disease: AD
PCNDIDS0078
Senkyunolide D
Canonical SMILES: CCCC(=O)C1(C2=C(C=CCC2)C(=O)O1)O
Class: Isobenzofurans
Disease: AD
PCNDIDS0079
Senkyunolide E
Canonical SMILES: CCC(C=C1C2=CC=CC=C2C(=O)O1)O
Class: Isocoumarans
Disease: AD
PCNDIDS0080
Senkyunolide F
Canonical SMILES: CCC(C=C1C2=C(C=CCC2)C(=O)O1)O
Class: Isobenzofurans
Disease: AD
PCNDIDS0081
Senkyunolide G
Canonical SMILES: CCCCC1(C2=C(C=CCC2)C(=O)O1)O
Class: Isobenzofurans
Disease: AD
PCNDIDS0082
Senkyunolide K
Canonical SMILES: CCCCC1C2=C(C=CCC2O)C(=O)O1
Class: Isobenzofurans
Disease: AD
PCNDIDS0083
Senkyunolide N
Canonical SMILES: CCCCC1C2=C(C(C(CC2)O)O)C(=O)O1
Class: Isobenzofurans
Disease: AD
PCNDIDS0084
Serotonin
Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
Class: Indoles and derivatives
Disease: AD, PD
PCNDIDS0085
Serpentine
Canonical SMILES: CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4
Class: Indoles and derivatives
Disease: Epilepsy
PCNDIDS0086
Sesaminol
Canonical SMILES: C1C2C(COC2C3=CC4=C(C=C3O)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
Class: Furanoid lignans
Disease: AD
PCNDIDS0087
Sesamol
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)O
Class: Benzodioxoles
Disease: AD, PD, Meningitis
PCNDIDS0088
Sesamolin
Canonical SMILES: C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
Class: Benzodioxoles
Disease: AD, PD
PCNDIDS0089
Sesamolinol
Canonical SMILES: COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O
Class: Phenols
Disease: AD, PD
PCNDIDS0090
Sesibiricin
Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OCC=C(C)C)OC)C
Class: Coumarins and derivatives
Disease: AD, PD
PCNDIDS0091
Sesquicineole
Canonical SMILES: CC(=CCCC1(C2CCC(O1)(CC2)C)C)C
Class: Oxanes
Disease: AD
PCNDIDS0092
Sessilifoliamide A
Canonical SMILES: CCC1C2C3CCC(=O)N3CCCC2OC14CC(C(=O)O4)C
Class: Stemona alkaloids
Disease: AD
PCNDIDS0093
Sessilifoliamide B
Canonical SMILES: CCC(C1CCCCN2C1CCC2=O)C3CC(C(=O)O3)C
Class: Pyrroloazepines
Disease: AD, Meningitis
PCNDIDS0094
Sessilifoliamide C
Canonical SMILES: CCC(C1CCCCN2C1CCC2=O)C3C=C(C(=O)O3)C
Class: Pyrroloazepines
Disease: AD
PCNDIDS0095
Sessilifoliamide E
Canonical SMILES: CCC1C2C(C(C(=O)O2)C)C3CC(N(C3=O)CCCCC1=O)C4CC(C(=O)O4)C
Class: Lactones
Disease: AD
PCNDIDS0096
Sexangularetin
Canonical SMILES: COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0097
Shikimic acid
Canonical SMILES: C1C(C(C(C=C1C(=O)O)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0098
Shikonofuran B
Canonical SMILES: CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O
Class: Phenols
Disease: AD
PCNDIDS0099
Shikonofuran C
Canonical SMILES: CC(C)CC(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O
Class: Phenols
Disease: AD
PCNDIDS0100
Shinflavanone
Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0101
Shinpterocarpin
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC(=C5)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDS0102
Shiromodiol diacetate
Canonical SMILES: CC1=CCCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0103
Shogaol
Canonical SMILES: CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC
Class: Phenols
Disease: AD, PD, Huntington disease
PCNDIDS0104
Sideritoflavone
Canonical SMILES: COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC)OC
Class: Flavonoids
Disease: AD
PCNDIDS0105
Sigmoidin B
Canonical SMILES: CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C
Class: Flavonoids
Disease: AD
PCNDIDS0106
Silandrin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O
Class: Flavonolignans
Disease: AD, PD
PCNDIDS0107
Silibinin B
Canonical SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
Class: Flavonolignans
Disease: PD, Epilepsy, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDS0108
Silicine
Canonical SMILES: CCC1CN(CC2C1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C
Class: Indoles and derivatives
Disease: AD
PCNDIDS0109
Silybin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
Class: Flavonolignans
Disease: PD, Epilepsy
PCNDIDS0110
Silymarin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
Class: Flavonolignans
Disease: AD, Meningitis, Myasthenia Gravis, Multiple sclreosis
PCNDIDS0111
Sinapaldehyde
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=CC=O
Class: Phenols
Disease: AD, PD
PCNDIDS0112
Sinapic acid
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O
Class: Cinnamic acids and derivatives
Disease: AD, PD
PCNDIDS0113
Sinapyl alcohol
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=CCO
Class: Phenols
Disease: AD, PD
PCNDIDS0114
Sinensetin
Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC
Class: Flavonoids
Disease: AD, PD
PCNDIDS0115
Sinoacutine
Canonical SMILES: CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC
Class: Phenanthrenes and derivatives
Disease: AD, PD
PCNDIDS0116
Sinomenine
Canonical SMILES: CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Class: Morphinans
Disease: AD, PD, Meningitis
PCNDIDS0117
Sitogluside
Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDS0118
Sitoindoside IX
Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)COC7C(C(C(C(O7)CO)O)O)O
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDS0119
Skimmianine
Canonical SMILES: COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
Class: Quinolines and derivatives
Disease: AD, PD
PCNDIDS0120
Skimmin
Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0121
Skullcapflavone I
Canonical SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)OC
Class: Flavonoids
Disease: AD
PCNDIDS0122
Skullcapflavone II
Canonical SMILES: COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0123
Smilagenin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
Class: Prenol lipids
Disease: AD
PCNDIDS0124
Sodium ferulate
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)[O-])O.[Na+]
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDS0125
Solamargine
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Class: Steroids and steroid derivatives
Disease: AD, Huntington disease
PCNDIDS0126
Solanidine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD
PCNDIDS0127
Solanine
Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDS0128
Somniferine
Canonical SMILES: CN1CCC23C4C(=O)C(=CC2(C1CC5=C3C(=C(C=C5)O)O4)O)C6CC78C9C(=CC=C7C(N6C)CC1=C8C(=C(C=C1)OC)O9)OC
Class: Morphinans
Disease: Epilepsy
PCNDIDS0129
Sophocarpine
Canonical SMILES: C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4
Class: Lupin alkaloids
Disease: PD, Meningitis
PCNDIDS0130
Sophoradochromene
Canonical SMILES: CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C=CC(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C
Class: Linear 1,3-diarylpropanoids
Disease: AD
PCNDIDS0131
Sophoraflavanone G
Canonical SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0132
Sophoraisoflavanone A
Canonical SMILES: CC(=CCC1=C(C=CC(=C1OC)C2COC3=CC(=CC(=C3C2=O)O)O)O)C
Class: Isoflavonoids
Disease: AD
PCNDIDS0133
Sophoranone
Canonical SMILES: CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)C
Class: Flavonoids
Disease: AD
PCNDIDS0134
Sophoricoside
Canonical SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Isoflavonoids
Disease: AD
PCNDIDS0135
Sophoridine
Canonical SMILES: C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
Class: Lupin alkaloids
Disease: PD, Epilepsy, Meningitis
PCNDIDS0136
Sparassol
Canonical SMILES: CC1=CC(=CC(=C1C(=O)OC)O)OC
Class: Benzene and substituted derivatives
Disease: AD, PD
PCNDIDS0137
Sparteine
Canonical SMILES: C1CCN2CC3CC(C2C1)CN4C3CCCC4
Class: Lupin alkaloids
Disease: PD
PCNDIDS0138
Specioside
Canonical SMILES: C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O
Class: Cinnamic acids and derivatives
Disease: AD
PCNDIDS0139
Spermidine
Canonical SMILES: C(CCNCCCN)CN
Class: Organonitrogen compounds
Disease: AD, PD
PCNDIDS0140
Spermine
Canonical SMILES: C(CCNCCCN)CNCCCN
Class: Organonitrogen compounds
Disease: AD, PD
PCNDIDS0141
Sphondin
Canonical SMILES: COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0142
Spinacetin
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0143
Spinosin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0144
Spiraeoside
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0145
Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-
Canonical SMILES: CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Class: Tetrahydroisoquinolines
Disease: AD
PCNDIDS0146
Spiroxabovolide
Canonical SMILES: CC1CCCC2(O1)C(=C(C(=O)O2)C)C
Class: Organooxygen compounds
Disease: AD
PCNDIDS0147
Squalene
Canonical SMILES: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0148
Squamatic acid
Canonical SMILES: CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O
Class: Depsides and depsidones
Disease: AD
PCNDIDS0149
Stachydrine
Canonical SMILES: C[N+]1(CCCC1C(=O)[O-])C
Class: Carboxylic acids and derivatives
Disease: AD, PD
PCNDIDS0150
Stachyose hydrate from Stachys tuberifera
Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O.O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0151
Stachyurin
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: AD, PD
PCNDIDS0152
Stearic Acid
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDS0153
Stearidonic acid
Canonical SMILES: CCC=CCC=CCC=CCC=CCCCCC(=O)O
Class: Fatty Acyls
Disease: AD
PCNDIDS0154
Stenine
Canonical SMILES: CCC1C2CCCCN3C2C(CC3)C4C1OC(=O)C4C
Class: Stemona alkaloids
Disease: AD
PCNDIDS0155
Stephanine
Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3
Class: Aporphines
Disease: AD
PCNDIDS0156
Stepharanine
Canonical SMILES: COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O
Class: Protoberberine alkaloids and derivatives
Disease: AD
PCNDIDS0157
Stepharine
Canonical SMILES: COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC
Class: Proaporphines
Disease: AD, PD
PCNDIDS0158
Stepposide
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=C(C=C(C=C4)O)O
Class: Flavonoids
Disease: Epilepsy
PCNDIDS0159
Sterigmatocystin
Canonical SMILES: COC1=C2C(=C3C4C=COC4OC3=C1)OC5=CC=CC(=C5C2=O)O
Class: Sterigmatocystins
Disease: AD
PCNDIDS0160
Stesakine
Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)O)OCO3
Class: Aporphines
Disease: AD
PCNDIDS0161
Stevenin
Canonical SMILES: COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)O)O
Class: Neoflavonoids
Disease: AD
PCNDIDS0162
stichloroside C1
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(CCC6(C5=CCC4C3(C)C)C)C(OC7=O)(C)CC(CC(C)C)OC(=O)C)C)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)OC)O)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(C(O1)CO)O)OC)O)O
Class: Prenol lipids
Disease: AD
PCNDIDS0163
Stigmasterol
Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Class: Steroids and steroid derivatives
Disease: AD, PD
PCNDIDS0164
Stizolamine
Canonical SMILES: CN1C(=CN=C(C1=O)N=C(N)N)CO
Class: Diazines
Disease: AD
PCNDIDS0165
Strychnine
Canonical SMILES: C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75
Class: Strychnos alkaloids
Disease: AD, PD, Huntington disease
PCNDIDS0166
Stylopine
Canonical SMILES: C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Class: Protoberberine alkaloids and derivatives
Disease: AD, PD, Meningitis
PCNDIDS0167
Styrene
Canonical SMILES: C=CC1=CC=CC=C1
Class: Benzene and substituted derivatives
Disease: AD, Encephalitits, Meningitis
PCNDIDS0168
Suaveolic acid
Canonical SMILES: CC(C)C1CCC2=C(C1O)CCC3C2(CCCC3(C)C(=O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0169
Subergorgic acid
Canonical SMILES: CC1CC(=O)C23C1CCC2(C=C(C3C)C(=O)O)C
Class: Prenol lipids
Disease: AD
PCNDIDS0170
Suberosin
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C
Class: Coumarins and derivatives
Disease: AD
PCNDIDS0171
Succinic Acid
Canonical SMILES: C(CC(=O)O)C(=O)O
Class: Carboxylic acids and derivatives
Disease: Epilepsy
PCNDIDS0172
Suchilactone
Canonical SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC
Class: Furanoid lignans
Disease: AD
PCNDIDS0173
Sudan III
Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O
Class: Azobenzenes
Disease: AD
PCNDIDS0174
Sugiol
Canonical SMILES: CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O
Class: Prenol lipids
Disease: AD, PD
PCNDIDS0175
Sulforaphane
Canonical SMILES: CS(=O)CCCCN=C=S
Class: Sulfoxides
Disease: AD, PD
PCNDIDS0176
Sumatrol
Canonical SMILES: CC(=C)C1CC2=C(O1)C=C(C3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O
Class: Isoflavonoids
Disease: AD, PD
PCNDIDS0177
Suspenolic acid
Canonical SMILES: CC(=O)OC1CCC(=CC(=O)O)CC1
Class: Carboxylic acids and derivatives
Disease: AD
PCNDIDS0178
Swerchirin
Canonical SMILES: COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C(C=C3O2)OC)O
Class: Benzopyrans
Disease: AD, PD
PCNDIDS0179
Sweroside
Canonical SMILES: C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O
Class: Organooxygen compounds
Disease: AD
PCNDIDS0180
Swertianin
Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)O)O
Class: Benzopyrans
Disease: AD
PCNDIDS0181
Swertisin
Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O
Class: Flavonoids
Disease: AD, PD
PCNDIDS0182
Sylvatesmin
Canonical SMILES: COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)OC
Class: Furanoid lignans
Disease: AD
PCNDIDS0183
Sylvatine
Canonical SMILES: CC(C)CCCC=CCCCCNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2
Class: Benzodioxoles
Disease: Epilepsy
PCNDIDS0184
Symplocosidin
Canonical SMILES: COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0185
Syriacusin A
Canonical SMILES: CC1=CC2=C(C(=C(C=C2)O)C=O)C(=C1O)OC
Class: Naphthalenes
Disease: AD
PCNDIDS0186
Syriacusin B
Canonical SMILES: COC1=C(C=C2C=CC(=C(C2=C1OC)C=O)O)CO
Class: Naphthalenes
Disease: AD
PCNDIDS0187
Syriacusin C
Canonical SMILES: CC1=CC2=C3C(=C(C=C2)O)C(=O)OC3=C1OC
Class: Naphthalenes
Disease: AD
PCNDIDS0188
Syringaldehyde
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=O
Class: Phenols
Disease: AD, PD
PCNDIDS0189
Syringaresinol
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
Class: Furanoid lignans
Disease: AD
PCNDIDS0190
Syringetin
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Class: Flavonoids
Disease: AD
PCNDIDS0191
Syringic acid
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C(=O)O
Class: Benzene and substituted derivatives
Disease: AD
PCNDIDS0192
Syringin
Canonical SMILES: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO
Class: Organooxygen compounds
Disease: AD, PD