NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundTaxifolin
NPACT-IdNPACT00969
IUPAC(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Synonymsdihydroquercetin;(+)-Dihydroquercetin
PubChem Id439533
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNQO1 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyCXQWRCVTCMQVQX-LSDHHAIUSA-N
InChi1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
SMILESO1[C@@H]([C@@H](O)C(=O)c2c1cc(O)cc2O)c1cc(O)c(O)cc1
SMART[H]OC1=C([H])C(O[H])=C2C(=O)[C@]([H])(O[H])[C@]([H])(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.480-18-2
Structure
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Cross Refrence in other databases
Super Natural   000480182
CTD   C003377
HIT   C0007
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, FINETECH, Hangzhou APIChem Technology, MolPort, NIH Clinical Collection, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.