Bioactive Compound Details
| BioID | bio1107 |
|---|---|
| Name | SMILASIDE C |
| ChEMBL ID | CHEMBL502580 |
| Molecular Formula | C41H44O19 |
| Molecular Weight | 840.78 |
| Molecular Weight (Monoisotopic) | 840.2477 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | smilaside C |
| Smiles | COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](COC(=O)/C=C/c3ccc(O)cc3)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O |
| Inchi | InChI=1S/C41H44O19/c1-53-28-17-23(5-12-26(28)44)8-15-32(46)55-20-31-36(50)39(58-34(48)16-9-24-6-13-27(45)29(18-24)54-2)41(59-31,60-40-38(52)37(51)35(49)30(19-42)57-40)21-56-33(47)14-7-22-3-10-25(43)11-4-22/h3-18,30-31,35-40,42-45,49-52H,19-21H2,1-2H3/b14-7+,15-8+,16-9+/t30-,31-,35-,36-,37+,38-,39+,40-,41+/m1/s1 |
| Inchi Key | XPMSXAVTDBNKAT-SZPLYKBJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.23 |
| Records Key | ['3, smilaside C'] |
| Records Name | ['1-p-coumaroyl-3,6-diferuloyl sucrose'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
