Bioactive Compound Details
| BioID | bio1434 |
|---|---|
| Name | CHRYSOGESIDE C |
| ChEMBL ID | CHEMBL1802291 |
| Molecular Formula | C40H73NO9 |
| Molecular Weight | 712.02 |
| Molecular Weight (Monoisotopic) | 711.5285 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Chrysogeside C |
| Smiles | CCCCCCCCCCCCCCC/C=C/[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCC |
| Inchi | InChI=1S/C40H73NO9/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-23-28-34(44)39(48)41-32(30-49-40-38(47)37(46)36(45)35(29-42)50-40)33(43)27-24-20-22-26-31(3)25-21-7-5-2/h23-24,26-28,32-38,40,42-47H,4-22,25,29-30H2,1-3H3,(H,41,48)/b27-24+,28-23+,31-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1 |
| Inchi Key | MPDYYYVKKXHAGJ-JAKQRLLBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 1.78 |
| Records Key | ['3, Chrysogeside C'] |
| Records Name | ['(2R,3E)-2-hydroxy-N-[(2S,3R,4E,8E)-l-beta-D-glucopyranosyloxy-3-hydroxy-9-methyltetradec-4,8-dien-2-yl]nonadec-3-enamide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
