PDND
Phytochemical Database for Neurological Disorders
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Total number of hits: 55
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PCNDIDOT0215

(R)-(-)-2-Aminobutane

Canonical SMILES: CCC(C)N

Class: Organonitrogen compounds

Disease: AD, Epilepsy


PCNDIDOT0247

(S)-2-Methylbutylamine

Canonical SMILES: CCC(C)CN

Class: Organonitrogen compounds

Disease: AD, Epilepsy


PCNDIDOT0305

1-((2S,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

Canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

Class: Pyrimidine nucleosides

Disease: AD, Epilepsy


PCNDIDOT0344

1,4-Diaminobutane

Canonical SMILES: C(CCN)CN

Class: Organonitrogen compounds

Disease: Meningitis, Myasthenia Gravis


PCNDIDOT0471

2-(Methyldisulfanyl)propane

Canonical SMILES: CC(C)SSC

Class: Organic disulfides

Disease: AD, Epilepsy


PCNDIDOT0583

2'-Deoxyuridine

Canonical SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)CO)O

Class: Pyrimidine nucleosides

Disease: AD, Epilepsy


PCNDIDOT0584

2-Diethylaminoethanol

Canonical SMILES: CCN(CC)CCO

Class: Organonitrogen compounds

Disease: Huntington disease


PCNDIDOT0664

2-Phenylisoquinoline

Canonical SMILES: C1C2=CC=CC=C2C=CN1C3=CC=CC=C3

Class: Organonitrogen compounds

Disease: AD, Epilepsy


PCNDIDOT0697

3,3-Dimethylbutylamine

Canonical SMILES: CC(C)(C)CCN

Class: Organonitrogen compounds

Disease: AD, PD, Epilepsy


PCNDIDA0017

Acetylcholine

Canonical SMILES: CC(=O)OCC[N+](C)(C)C

Class: Organonitrogen compounds

Disease: AD, PD, Myasthenia Gravis


PCNDIDA0029

Adenine deoxyribonucleoside

Canonical SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O

Class: Purine nucleosides

Disease: AD


PCNDIDA0030

Adenosine

Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

Class: Purine nucleosides

Disease: AD, PD, Meningitis, Myasthenia Gravis


PCNDIDA0040

Ajoene

Canonical SMILES: C=CCSSC=CCS(=O)CC=C

Class: Sulfoxides

Disease: AD, PD


PCNDIDA0064

Allyl isothiocyanate

Canonical SMILES: C=CCN=C=S

Class: Isothiocyanates

Disease: PD


PCNDIDA0065

Allyl mercaptan

Canonical SMILES: C=CCS

Class: Allyl sulfur compounds

Disease: AD


PCNDIDA0066

Allyl methyl trisulfide

Canonical SMILES: CSSSCC=C

Class: Organic trisulfides

Disease: AD


PCNDIDA0118

Aminophylline

Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N

Class: Organonitrogen compounds

Disease: Epilepsy


PCNDIDB0156

Butyl propyl disulfide

Canonical SMILES: CCCCSSCCC

Class: Organic disulfides

Disease: AD


PCNDIDC0016

Calvatic acid

Canonical SMILES: C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-]

Class: Organonitrogen compounds

Disease: AD


PCNDIDC0117

Choline

Canonical SMILES: C[N+](C)(C)CCO

Class: Organonitrogen compounds

Disease: AD, PD, Myasthenia Gravis


PCNDIDC0148

CID 3033858

Canonical SMILES: S=[As][S]

Class: Metalloid organides

Disease: PD


PCNDIDC0239

Cordycepin

Canonical SMILES: C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO

Class: Purine nucleosides

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


PCNDIDC0328

Cysteamine

Canonical SMILES: C(CS)N

Class: Thiols

Disease: AD


PCNDIDD0088

Di-2-propenyl heptasulfide

Canonical SMILES: C=CCSSSSSSSCC=C

Class: Allyl sulfur compounds

Disease: AD


PCNDIDD0090

Diallyl disulfide

Canonical SMILES: C=CCSSCC=C

Class: Allyl sulfur compounds

Disease: AD


PCNDIDD0091

Diallyl hexasulfide

Canonical SMILES: C=CCSSSSSSCC=C

Class: Allyl sulfur compounds

Disease: AD


PCNDIDD0092

Diallyl sulfide

Canonical SMILES: C=CCSCC=C

Class: Allyl sulfur compounds

Disease: AD, PD


PCNDIDD0093

Diallyl tetrasulfide

Canonical SMILES: C=CCSSSSCC=C

Class: Allyl sulfur compounds

Disease: AD


PCNDIDD0094

Diallyl trisulfide

Canonical SMILES: C=CCSSSCC=C

Class: Organic trisulfides

Disease: AD, PD


PCNDIDD0148

Dimethyl sulfone

Canonical SMILES: CS(=O)(=O)C

Class: Sulfonyls

Disease: AD


PCNDIDD0149

Dimethyl Sulfoxide

Canonical SMILES: CS(=O)C

Class: Sulfoxides

Disease: AD


PCNDIDD0157

Diphenyl sulfide

Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2

Class: Thioethers

Disease: AD


PCNDIDD0167

DL-Carnitine

Canonical SMILES: C[N+](C)(C)CC(CC(=O)[O-])O

Class: Organonitrogen compounds

Disease: AD


PCNDIDE0073

Ethanolamine

Canonical SMILES: C(CO)N

Class: Organonitrogen compounds

Disease: AD


PCNDIDF0014

Fenugreekine

Canonical SMILES: C1=CC(=NC(=C1)C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O

Class: Purine nucleotides

Disease: AD


PCNDIDF0034

Fluoro-[(imino-lambda3-iodanyl)methylidene]-lambda3-iodane

Canonical SMILES: C(=IF)I=N

Class: Organoiodides

Disease: AD


PCNDIDG0087

Ginsenoyne B

Canonical SMILES: C=CCCCCCC(C(CC#CC#CC(C=C)O)O)Cl

Class: Halohydrins

Disease: AD


PCNDIDH0046

Histamine

Canonical SMILES: C1=C(NC=N1)CCN

Class: Organonitrogen compounds

Disease: Epilepsy, Meningitis


PCNDIDH0064

Hydrogen isocyanide

Canonical SMILES: [C-]#[NH+]

Class: Other non-metal organides

Disease: AD


PCNDIDI0023

Inosine

Canonical SMILES: C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O

Class: Purine nucleosides

Disease: AD, PD


PCNDIDI0042

Isoamylamine

Canonical SMILES: CC(C)CCN

Class: Organonitrogen compounds

Disease: AD


PCNDIDI0109

Isopropyl methyl sulfide

Canonical SMILES: CC(C)SC

Class: Thioethers

Disease: AD, PD


PCNDIDL0084

Lobelanidine

Canonical SMILES: CN1C(CCCC1CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O

Class: Organonitrogen compounds

Disease: AD


PCNDIDM0118

Methylamine, N-(1-ethylpentylidene)-

Canonical SMILES: CCCCC(=NC)CC

Class: Organonitrogen compounds

Disease: AD


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


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


PCNDIDS0175

Sulforaphane

Canonical SMILES: CS(=O)CCCCN=C=S

Class: Sulfoxides

Disease: AD, PD


PCNDIDT0029

Tetraarsenic tetrasulfide

Canonical SMILES: S1[As]2S[As]3[As]1S[As]2S3

Class: Metalloid organides

Disease: Huntington disease, Multiple sclreosis


PCNDIDT0062

Thymidine

Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

Class: Pyrimidine nucleosides

Disease: AD


PCNDIDT0100

Trimethylamine

Canonical SMILES: CN(C)C

Class: Organonitrogen compounds

Disease: AD, PD


PCNDIDT0102

Trimethylphosphine oxide

Canonical SMILES: CP(=O)(C)C

Class: Organic phosphines and derivatives

Disease: AD


PCNDIDX0008

Xanthosine

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O

Class: Purine nucleosides

Disease: AD


PCNDIDZ0006

Zinc Oxide

Canonical SMILES: O=[Zn]

Class: Transition metal organides

Disease: Huntington disease