Bioactive Compound Details
| BioID | bio1476 |
|---|---|
| Name | CHARANTOSIDE C |
| ChEMBL ID | CHEMBL2335923 |
| Molecular Formula | C37H60O9 |
| Molecular Weight | 648.88 |
| Molecular Weight (Monoisotopic) | 648.4237 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Charantoside C |
| Smiles | COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C |
| Inchi | InChI=1S/C37H60O9/c1-21(10-9-15-32(2,3)43-8)22-13-16-35(7)24-14-17-37-25(36(24,31(42)46-37)19-18-34(22,35)6)11-12-26(33(37,4)5)45-30-29(41)28(40)27(39)23(20-38)44-30/h9,15,21-30,38-41H,10-14,16-20H2,1-8H3/b15-9+/t21-,22-,23-,24+,25+,26+,27-,28-,29-,30+,34-,35+,36+,37-/m1/s1 |
| Inchi Key | GWTWCZDLJKCGOZ-WOAHVHCUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.09 |
| Records Key | ['57'] |
| Records Name | ['Charantoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
