Bioactive Compound Details
| BioID | bio1592 |
|---|---|
| Name | HERBIMYCIN C |
| ChEMBL ID | CHEMBL486827 |
| Molecular Formula | C29H40N2O9 |
| Molecular Weight | 560.64 |
| Molecular Weight (Monoisotopic) | 560.2734 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Herbimycin C |
| Smiles | CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O |
| Inchi | InChI=1S/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9+,17-11+/t16-,18-,22-,23-,24+,26+,27-/m0/s1 |
| Inchi Key | DWFFHRSGCPBMKD-OOJAHTAHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 15.0 |
| Bioactivities | 24.0 |
| Np Likeness Score | 2.7 |
| Records Key | ['3', '2', '9'] |
| Records Name | ['herbimycin C', 'Herbimycin A', 'Herbimycin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
