Bioactive Compound Details
| BioID | bio976 |
|---|---|
| Name | BOIVINIDE C |
| ChEMBL ID | CHEMBL251691 |
| Molecular Formula | C36H54O13 |
| Molecular Weight | 694.82 |
| Molecular Weight (Monoisotopic) | 694.3564 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | boivinide C |
| Smiles | CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C36H54O13/c1-18-32(49-33-31(42)30(41)29(40)26(15-37)48-33)25(44-3)14-28(46-18)47-21-6-10-35(17-38)20(13-21)4-5-24-23(35)7-9-34(2)22(8-11-36(24,34)43)19-12-27(39)45-16-19/h12,17-18,20-26,28-33,37,40-43H,4-11,13-16H2,1-3H3/t18-,20+,21+,22+,23+,24-,25+,26-,28+,29-,30+,31-,32+,33+,34-,35-,36+/m1/s1 |
| Inchi Key | CSVNMGCNZRUZHN-CMVMYSFUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.14 |
| Records Key | ['3, boivinide C'] |
| Records Name | ['5-alpha,17-alpha-uzarigenin 3-O-beta-D-glucopyranosyl-(1->4)-beta-D-sarmentopyranoside]'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
