| Compound | Balsaminols C |
| NPACT-Id | NPACT00307 |
| IUPAC | (3S,4S,8R,9S,10S,13R,14S,17R)-3-hydroxy-4-(hydroxymethyl)-4,9,13,14-tetramethyl-17-[(2R)-4-oxopentan-2-yl]-1,2,3,8,10,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one |
| Synonyms | - |
| PubChem Id | 52947022 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | OXQKEJMRPYQVRC-UGYWPJPOSA-N |
| InChi | 1S/C30H46O4/c1-18(2)14-20(32)15-19(3)21-10-11-30(7)26-24(33)16-23-22(8-9-25(34)28(23,5)17-31)27(26,4)12-13-29(21,30)6/h14,16,19,21-22,25-26,31,34H,8-13,15,17H2,1-7H3/t19-,21-,22-,25+,26-,27+,28-,29-,30+/m1/s1 |
| SMILES | O=C1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](CC(=O)C=C(C)C)C)(CC[C@]2([C@H]2C(=C1)[C@]([C@@H](O)CC2)(CO)C)C)C)C |
|
SMART | [H]OC([H])([H])[C@@]1(C2=C([H])C(=O)[C@@]3([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]1([H])O[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| 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 | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |