NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCapsaicin
NPACT-IdNPACT01163
IUPAC-
SynonymsZostrix;Styptysat;Axsain;Transacin;Qutenza;CAPSAICINE;Capsidol;Capzasin
PubChem Id1548943
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity Yes
TargetsAR | BAX | CDKN1A | KLK3 | NFKB1 | NFKBIA | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYKPUWZUDDOIDPM-SOFGYWHQSA-N
InChi1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
SMILESO=C(NCc1cc(OC)c(O)cc1)CCCC/C=C/C(C)C
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C(/[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.404-86-4
Structure
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Cross Refrence in other databases
Super Natural   000404864
CTD   D002211
HIT   C0445
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Biosynth, Calbiochem, ChemMol, FINETECH, Hangzhou Trylead Chemical Technology, IS Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, Tractus, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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