Bioactive Compound Details
| BioID | bio1317 |
|---|---|
| Name | COCHLIOQUINONE C |
| ChEMBL ID | CHEMBL2288170 |
| Molecular Formula | C28H40O7 |
| Molecular Weight | 488.62 |
| Molecular Weight (Monoisotopic) | 488.2774 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | CC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O |
| Inchi | InChI=1S/C28H40O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h13-15,18-19,23,25,32-33H,8-12H2,1-7H3/t14-,15-,18+,19+,23+,25+,27-,28+/m0/s1 |
| Inchi Key | KELSQTYNZXMABE-NMOAWYSDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 2.23 |
| Records Key | ['3', '14'] |
| Records Name | ['Cochlioquinone C', 'Cochlioquinone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
