NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound28-deoxonimbolide
NPACT-IdNPACT00089
IUPAC-
Synonyms-
PubChem Id159573
ClassTerpenoids
In-vitro anticancer activity 7 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 | CASP8 | CASP9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyCWGBIWRWBCYASK-DVTNSOTCSA-N
InChi1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16?,17-,18-,22-,23+,24-,25+,26+,27-/m1/s1
SMILESO1[C@H]2[C@]([C@@H]([C@@]3([C@H]4[C@H]2OC[C@@]4(C=CC3=O)C)C)CC(=O)OC)(C2=C([C@H](C[C@@H]12)c1ccoc1)C)C
SMART[H]C1=C([H])C(=C([H])O1)[C@]1([H])C(=C2[C@]([H])(O[C@]3([H])[C@]4([H])OC([H])([H])[C@@]5(C([H])=C([H])C(=O)[C@@](C([H])([H])[H])([C@@]45[H])[C@@]([H])(C([H])([H])C(=O)OC([H])([H])[H])[C@]23C([H])([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])[H]
CAS No.83509-42-6
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C062897
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, 
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.