Bioactive Compound Details
| BioID | bio1748 |
|---|---|
| Name | CASEARBORIN C |
| ChEMBL ID | CHEMBL524707 |
| Molecular Formula | C31H38O9 |
| Molecular Weight | 554.64 |
| Molecular Weight (Monoisotopic) | 554.2516 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Casearborin C |
| Smiles | C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](OC(=O)c2ccc(O)cc2)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O |
| Inchi | InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(39-27(36)21-8-10-22(34)11-9-21)31-24(15-23(35)16-25(30)31)28(37-19(4)32)40-29(31)38-20(5)33/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3/b17-12+/t18-,23+,25+,26+,28+,29-,30-,31-/m1/s1 |
| Inchi Key | CIQOXQMVAFIWID-VICZHGOXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.1 |
| Records Key | ['3'] |
| Records Name | ['casearborin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
