NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundXerophilusin B
NPACT-IdNPACT01026
IUPAC-
Synonyms-
PubChem Id44445767
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsIKBKE | NFKB1 | NOS2 | RELA |   All | 
Properties Physical   Elemental  Topological
InChi KeyZKUQCTVJZQFAKY-KZAJDCQMSA-N
InChi1S/C20H26O5/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)14(22)20(23)19(11,13(9)21)15(10)24-16(18)25-20/h10-12,14-16,22-23H,1,4-8H2,2-3H3/t10-,11-,12+,14-,15+,16-,18+,19-,20-/m0/s1
SMILESO1[C@]2(O)[C@]34[C@H]5[C@]6([C@H]([C@@H]2O)C(CCC6)(C)C)[C@H]1O[C@@H]3[C@@H](CC5)C(=C)C4=O
SMART[H]O[C@@]1([H])[C@]2([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]22[C@@]3([H])O[C@]4([H])[C@]5([H])C(=C([H])[H])C(=O)[C@]4([C@]2([H])C([H])([H])C5([H])[H])[C@@]1(O[H])O3
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C410911
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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.