Bioactive Compound Details
| BioID | bio129 |
|---|---|
| Name | SUBERITENONE C |
| ChEMBL ID | CHEMBL466779 |
| Molecular Formula | C27H40O4 |
| Molecular Weight | 428.61 |
| Molecular Weight (Monoisotopic) | 428.2927 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Suberitenone C |
| Smiles | CC(=O)O[C@@H]1C[C@@]2(C)CC([C@@H]3CC(=O)C(C)=C[C@H]3O)=CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 |
| Inchi | InChI=1S/C27H40O4/c1-16-12-21(30)19(13-20(16)29)18-8-9-23-26(5,14-18)15-22(31-17(2)28)24-25(3,4)10-7-11-27(23,24)6/h8,12,19,21-24,30H,7,9-11,13-15H2,1-6H3/t19-,21+,22+,23+,24-,26+,27+/m0/s1 |
| Inchi Key | AVKROXAXWOMCFG-FJFKZGGNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 3.31 |
| Records Key | ['1'] |
| Records Name | ['Suberitenone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
