Bioactive Compound Details
| BioID | bio1173 |
|---|---|
| Name | ALTERNAROSIDE C |
| ChEMBL ID | CHEMBL1078816 |
| Molecular Formula | C42H77NO9 |
| Molecular Weight | 740.08 |
| Molecular Weight (Monoisotopic) | 739.5598 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | alternaroside C |
| Smiles | CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)/C=C/CCCCCCCCCCCCCC |
| Inchi | InChI=1S/C42H77NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28-31,34-40,42,44-49H,3-19,21,23-27,32-33H2,1-2H3,(H,43,50)/b22-20-,30-28+,31-29+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1 |
| Inchi Key | GITZFVKUUYAFTR-VMELUKIZSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 1.41 |
| Records Key | ['3, alternaroside C'] |
| Records Name | ['(2R,3E)-2-hydroxy-N-[(2S,3R,4E,8Z)-l-beta-D-glucopyranosyloxy-3-hydroxyoctadec-4,8-dien-2-yl]octadec-3-enamide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
