NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound24,25-dihydro-27-desoxywithaferin A
NPACT-IdNPACT00084
IUPAC-
Synonyms-
PubChem Id11134251
ClassSteroids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRXCZYUYRSCOXSS-DEJPPCROSA-N
InChi1S/C28H40O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,14-21,23-24,30H,6-7,10-13H2,1-5H3/t14-,15+,16+,17+,18?,19+,20+,21?,23+,24-,26-,27+,28-/m1/s1
SMILESO1[C@@]23[C@]([C@@H]4[C@H]([C@H]5[C@@]([C@H](CC5)[C@@H]([C@H]5OC(=O)[C@H]([C@@H](C5)C)C)C)(CC4)C)C[C@@H]12)(C)C(=O)C=C[C@@H]3O
SMART[#6][C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4([#6])[C@H]3CC[C@]12[#6])[C@@H]1C[C@@H]([#6])[C@H]([#6])C(=O)O1
CAS No.72962-43-7
Structure
Download

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