Bioactive Compound Details
| BioID | bio1495 |
|---|---|
| Name | ANOMANOLIDE C |
| ChEMBL ID | CHEMBL227494 |
| Molecular Formula | C28H38O8 |
| Molecular Weight | 502.6 |
| Molecular Weight (Monoisotopic) | 502.2567 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Anomanolide C |
| Smiles | C[C@@]12CC([C@@]3(O)[C@H](O)C[C@H]4[C@@H]5C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O |
| Inchi | InChI=1S/C28H38O8/c1-23-11-16(17(12-23)35-22(32)26(23,4)33)27(34)20(31)10-15-13-9-21-28(36-21)19(30)6-5-18(29)25(28,3)14(13)7-8-24(15,27)2/h5-6,13-17,19-21,30-31,33-34H,7-12H2,1-4H3/t13-,14+,15+,16?,17-,19+,20-,21-,23-,24+,25+,26+,27-,28-/m1/s1 |
| Inchi Key | GOPPAWBPZYOBMY-SALYPZEYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.57 |
| Records Key | ['12'] |
| Records Name | ['anomanolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
