NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundKaempferol 3-O-beta-D-glucopyranoside
NPACT-IdNPACT00698
IUPAC5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SynonymsKaempferol 3-O-.beta.-D-glucopyranoside
PubChem Id5481218
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySWGDZGBUJNMPHC-QSOFNFLRSA-N
InChi1S/C21H20O10/c22-8-13-15(25)17(27)18(28)21(30-13)31-20-16(26)14-11(24)2-1-3-12(14)29-19(20)9-4-6-10(23)7-5-9/h1-7,13,15,17-18,21-25,27-28H,8H2/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)ccc2)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([H])C([H])=C2O1
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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