NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(25S)-5-beta-spirostan-3-beta-ol 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-6-O-acetylglucopyranoside
NPACT-IdNPACT00015
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySWIFMWQWVQDARO-CUDFMMHQSA-N
InChi1S/C41H66O14/c1-19-8-13-41(50-17-19)20(2)30-27(55-41)15-26-24-7-6-22-14-23(9-11-39(22,4)25(24)10-12-40(26,30)5)51-38-36(34(47)32(45)29(53-38)18-49-21(3)43)54-37-35(48)33(46)31(44)28(16-42)52-37/h19-20,22-38,42,44-48H,6-18H2,1-5H3/t19-,20-,22+,23-,24-,25-,
SMILESC1C[C@@H](C[C@@H]2[C@]1([C@@H]1[C@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]2([C@H]1C)CC[C@@H](CO2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O)O)COC(=O)C
SMART[H][C@]12CC[C@@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@H]([#6])CO6)[C@@H]([#6])[C@@H]5[C@@]4([#6])CC[C@@H]3[C@@]1([#6])CC[C@@H](C2)O[C@@H]1O[C@H](COC([#6])=O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
CAS No.-
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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