NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundStigmasterol
NPACT-IdNPACT00961
IUPAC(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SynonymsStigmasterin ;beta-Stigmasterol ;Stigmasta-5,22-dien-3-beta-ol ;(24S)-5,22-Stigmastadien-3beta-ol ;Stigmasta-5,22-dien-3-ol, (3beta,22E)- ;.beta.-Stigmasterol
PubChem Id5280794
ClassSteroids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHCXVJBMSMIARIN-PHZDYDNGSA-N
InChi1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILESO[C@@H]1CC2=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/[C@H](C(C)C)CC)(CC[C@@H]3[C@]2(CC1)C)C
SMART[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@@]([H])(C([H])=C(/[H])[C@@]([H])(C([H])([H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
CAS No.83-48-7
Structure
Download

Cross Refrence in other databases
Super Natural   000083487
CTD   D013265
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemExper Chemical Directory, MolPort, R&D Chemicals, Selleck Chemicals, TimTec, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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