NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGlaucarubol
NPACT-IdNPACT00626
IUPAC-
Synonyms1,2,11,12,15-pentahydroxy-11,20-epoxypicras-3-en-16-one
PubChem Id225484
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYJIBLZYQKYKXFP-UHFFFAOYSA-N
InChi1S/C20H28O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-15,17,21-24,26H,5-6H2,1-3H3
SMILESO1[C@]2(O)[C@@H]3[C@@]4([C@@H]([C@H]([C@@H]2O)C)[C@H](O)C(=O)O[C@@H]4C[C@@H]2[C@]3([C@@H](O)[C@@H](O)C=C2C)C)C1
SMART[H]O[C@@]1([H])C([H])=C(C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]3([H])OC(=O)[C@@]([H])(O[H])[C@]4([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]5(O[H])OC([H])([H])[C@]34[C@]5([H])[C@]2(C([H])([H])[H])[C@@]1([H])O[H]
CAS No.1448-22-2;17122-96-2
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   1448-22-2;17122-96-2
Suppliers AAA Chemistry, ABI Chem, ChemFrog, Kingston Chemistry, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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