Bioactive Compound Details
| BioID | bio889 |
|---|---|
| Name | VERAGUAMIDE C |
| ChEMBL ID | CHEMBL1783107 |
| Molecular Formula | C37H60N4O8 |
| Molecular Weight | 688.91 |
| Molecular Weight (Monoisotopic) | 688.4411 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Veraguamide C |
| Smiles | C#CCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C |
| Inchi | InChI=1S/C37H60N4O8/c1-13-15-16-19-27-25(10)32(42)38-28(21(3)4)34(44)40(12)30(23(7)8)37(47)49-31(24(9)14-2)35(45)41-20-17-18-26(41)33(43)39(11)29(22(5)6)36(46)48-27/h1,21-31H,14-20H2,2-12H3,(H,38,42)/t24-,25-,26-,27+,28-,29-,30-,31-/m0/s1 |
| Inchi Key | DOTFUBBQWCBCSH-AVCHBABLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.42 |
| Records Key | ['3', '3'] |
| Records Name | ['Veraguamide C', 'Veraguamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
