| Compound | Beta-sitosterol |
| NPACT-Id | NPACT00329 |
| IUPAC | - |
| Synonyms | Sitosterol;Cupreol;Quebrachol;Triastonal;Cinchol;Harzol;Rhamnol |
| PubChem Id | 222284 |
| Class | Steroids |
| In-vitro anticancer activity | 9 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | CASP3 | CASP9 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| InChi | 1S/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 |
| SMILES | O[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
Download | 
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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 Search | Human metabolite database | FDA approved drugs |