Bioactive Compound Details
| BioID | bio138 |
|---|---|
| Name | CLAVOSOLIDE C |
| ChEMBL ID | CHEMBL454982 |
| Molecular Formula | C43H70O16 |
| Molecular Weight | 843.02 |
| Molecular Weight (Monoisotopic) | 842.4664 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Clavosolide C |
| Smiles | CO[C@@H]1[C@@H](OC)[C@H](O[C@H]2C[C@H]3C[C@@H]([C@H]4C[C@@H]4C)OC(=O)C[C@@H]4O[C@@H](C[C@H](O[C@@H]5OC[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H]4C)C[C@@H]([C@H]4C[C@@H]4C)OC(=O)C[C@H](O3)[C@@H]2C)OC[C@H]1O |
| Inchi | InChI=1S/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21-,22+,23+,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,38-,39-,40+,41+,42-,43-/m0/s1 |
| Inchi Key | VZJHKECEUCVCRQ-HZNAPWQASA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 1.13 |
| Records Key | ['3'] |
| Records Name | ['Clavosolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
