Bioactive Compound Details
| BioID | bio1733 |
|---|---|
| Name | REPENIN C |
| ChEMBL ID | CHEMBL525988 |
| Molecular Formula | C29H24O11 |
| Molecular Weight | 548.5 |
| Molecular Weight (Monoisotopic) | 548.1319 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Repenin C |
| Smiles | COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2COC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O |
| Inchi | InChI=1S/C29H24O11/c1-35-21-12-16(5-8-19(21)31)26-23(14-37-24(33)9-4-15-3-7-18(30)20(32)11-15)38-29-27-17(6-10-25(34)39-27)13-22(36-2)28(29)40-26/h3-13,23,26,30-32H,14H2,1-2H3/b9-4+/t23-,26-/m1/s1 |
| Inchi Key | SBHOYULRLAYYGT-BWSLMISRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.56 |
| Records Key | ['3'] |
| Records Name | ['Repenin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
