Bioactive Compound Details
| BioID | bio1614 |
|---|---|
| Name | EPICOCCAMIDE C |
| ChEMBL ID | CHEMBL250081 |
| Molecular Formula | C31H53NO10 |
| Molecular Weight | 599.76 |
| Molecular Weight (Monoisotopic) | 599.3669 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | epicoccamide C |
| Smiles | CC(=O)OC[C@H]1O[C@@H](OCCCCCCCCCCCCCCC(C)C(=O)C2=C(O)N(C)C(C)C2=O)[C@@H](O)[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C31H53NO10/c1-20(25(34)24-26(35)21(2)32(4)30(24)39)17-15-13-11-9-7-5-6-8-10-12-14-16-18-40-31-29(38)28(37)27(36)23(42-31)19-41-22(3)33/h20-21,23,27-29,31,36-39H,5-19H2,1-4H3/t20?,21?,23-,27-,28+,29+,31-/m1/s1 |
| Inchi Key | GMUMUQPLPFLTDT-BEQXBITGSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.56 |
| Records Key | ['3 (599), epicoccamide C'] |
| Records Name | ['5-hydroxy-1,2-dimethyl-4-[2-methyl-16-(6-O-acetyl-beta-D-mannopyranosyl)hexadecanoyl]-1H-pyrrol-3(2H)-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
