| Compound | Cucurbalsaminol A |
| NPACT-Id | NPACT00446 |
| IUPAC | (3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| Synonyms | - |
| PubChem Id | 44607278 |
| 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 | WFULNIMUTJQIKF-HCLZVIJHSA-N |
| InChi | 1S/C30H50O4/c1-18(10-9-14-26(2,3)34)19-13-15-29(7)25-22(31)16-21-20(11-12-23(32)27(21,4)5)28(25,6)17-24(33)30(19,29)8/h9,14,16,18-20,22-25,31-34H,10-13,15,17H2,1-8H3/b14-9+/t18-,19-,20-,22+,23+,24-,25-,28+,29+,30+/m1/s1 |
| SMILES | O[C@H]1[C@]2([C@]([C@H]3[C@@](C1)([C@H]1C(=C[C@@H]3O)C([C@@H](O)CC1)(C)C)C)(CC[C@@H]2[C@@H](C/C=C/C(O)(C)C)C)C)C |
|
SMART | [H]O[C@@]1([H])C([H])=C2[C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]2(C([H])([H])[H])C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])=C(/[H])[C@@](O[H])(C([H])([H])[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 | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |