| Compound | Spinasterol |
| NPACT-Id | NPACT00951 |
| IUPAC | (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Synonyms | Spinasterol;Bessisterol;Hitodesterol;alpha-Spinasterin;5-alpha-Stigmasta-7,22-dien-3-beta-ol,(E)-;Chondrillasterol;(3-beta,5-alpha,22E)-Stigmasta-7,22-dien-3-ol;Stigmasta-7,22-dien-3-ol,(3-beta,5-alpha,22E)- |
| PubChem Id | 5281331 |
| Class | Steroids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JZVFJDZBLUFKCA-FXIAWGAOSA-N |
| InChi | 1S/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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| SMILES | O[C@@H]1C[C@H]2[C@@]([C@@H]3C(=CC2)[C@H]2[C@@]([C@H](CC2)[C@H](C)/C=C/[C@H](C(C)C)CC)(CC3)C)(CC1)C |
|
SMART | [H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([H])C(=C([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([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@@]1(C([H])([H])[H])C([H])([H])C3([H])[H] |
| CAS No. | 481-18-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C031312 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |