NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundKaempferol 5-O-beta-D-glucopyranoside
NPACT-IdNPACT00699
IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Synonymskaempferol-3-glucoside;Kaempferol 3-O-glucoside;3,4',5,7-Tetrahydroxyflavone-3-glucoside;Kaempferol-3-beta-monoglucoside;Kaempferol-3-beta-glucopyranoside;4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
PubChem Id5282102
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJPUKWEQWGBDDQB-QSOFNFLRSA-N
InChi1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
SMILESO1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1c(oc2c(c1=O)c(O)cc(O)c2)c1ccc(O)cc1)CO
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1
CAS No.480-10-4
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, IS Chemical Technology, R&D Chemicals, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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