NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBeta-sitosterol
NPACT-IdNPACT00329
IUPAC-
SynonymsSitosterol;Cupreol;Quebrachol;Triastonal;Cinchol;Harzol;Rhamnol
PubChem Id222284
ClassSteroids
In-vitro anticancer activtiy 9 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsCASP3 | CASP9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKZJWDPNRJALLNS-VJSFXXLFSA-N
InChi1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/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](CC[C@H](C(C)C)CC)C)(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])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])[C@]([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.-
Structure
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Cross Refrence in other databases
Super Natural   000083465
CTD   C025473
HIT   C0399
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Aronis, ChemExper Chemical Directory, ChemMol, IS Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 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

 






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