Bioactive Compound Details
| BioID | bio978 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL307967 |
| Molecular Formula | C24H28O10 |
| Molecular Weight | 476.48 |
| Molecular Weight (Monoisotopic) | 476.1682 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bipinnatin-C |
| Smiles | CC(=O)OC1c2oc(cc2C)[C@@H]2O[C@@]2(C)CC2OC(=O)[C@@]3(O[C@H]23)C(OC(C)=O)C[C@@H]1C1(C)CO1 |
| Inchi | InChI=1S/C24H28O10/c1-10-6-14-19-22(4,33-19)8-15-20-24(34-20,21(27)32-15)16(29-11(2)25)7-13(23(5)9-28-23)18(17(10)31-14)30-12(3)26/h6,13,15-16,18-20H,7-9H2,1-5H3/t13-,15?,16?,18?,19-,20+,22-,23?,24+/m0/s1 |
| Inchi Key | FXDXTJXKPXLNSW-SZGRTYITSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.83 |
| Records Key | ['bipinnatin-C'] |
| Records Name | ['Bipinnatin-C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
