| Compound | Remangilones C |
| NPACT-Id | NPACT00902 |
| IUPAC | (4aR,6aR,6bS,7R,8aS,12aR,14aR,14bR)-3,7-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,4a,5,6,7,8a,9,10,12,12a,14,14a-dodecahydropicene-2,8-dione |
| Synonyms | - |
| PubChem Id | 397856 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QQWIUBKPPNCYMY-JHYKCHHWSA-N |
| InChi | 1S/C28H40O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,16-18,21,24,30,32H,8-14H2,1-6H3/t16-,17+,18-,21+,24-,26-,27+,28-/m0/s1 |
| SMILES | O[C@@H]1[C@]2([C@]3([C@@H]([C@@]4([C@@H](CC3)C(=C(O)C(=O)C4)C)C)CC=C2[C@H]2[C@@H](C1=O)CCC(C2)(C)C)C)C |
|
SMART | [H]OC1=C(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])=C4[C@]5([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]5([H])C(=O)[C@]([H])(O[H])[C@@]34C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C1=O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C119162 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |