Bioactive Compound Details
| BioID | bio478 |
|---|---|
| Name | MELIANIN C |
| ChEMBL ID | CHEMBL504483 |
| Molecular Formula | C37H48O8 |
| Molecular Weight | 620.78 |
| Molecular Weight (Monoisotopic) | 620.3349 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Melianin C |
| Smiles | CC(=O)O[C@H]1C[C@@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C5COC(=O)C5)[C@]4(C)CC[C@@H]3[C@@]12C |
| Inchi | InChI=1S/C37H48O8/c1-21(38)43-30-18-28-34(3,4)29(45-33(41)23-11-9-8-10-12-23)19-31(44-22(2)39)37(28,7)27-15-16-35(5)25(24-17-32(40)42-20-24)13-14-26(35)36(27,30)6/h8-12,14,24-25,27-31H,13,15-20H2,1-7H3/t24?,25-,27-,28-,29+,30+,31-,35-,36-,37+/m0/s1 |
| Inchi Key | UMDZHCRPOCMGPU-RCRHGASGSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 2.55 |
| Records Key | ['3'] |
| Records Name | ['melianin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
