Bioactive Compound Details
| BioID | bio625 |
|---|---|
| Name | LAPATHOSIDE C |
| ChEMBL ID | CHEMBL510277 |
| Molecular Formula | C40H42O18 |
| Molecular Weight | 810.76 |
| Molecular Weight (Monoisotopic) | 810.2371 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Lapathoside C |
| Smiles | COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]3OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O |
| Inchi | InChI=1S/C40H42O18/c1-52-28-18-24(6-14-27(28)44)9-16-32(46)53-19-29-34(48)36(50)37(51)39(55-29)58-40(21-41)38(56-33(47)17-8-23-4-12-26(43)13-5-23)35(49)30(57-40)20-54-31(45)15-7-22-2-10-25(42)11-3-22/h2-18,29-30,34-39,41-44,48-51H,19-21H2,1H3/b15-7+,16-9+,17-8+/t29-,30-,34-,35-,36+,37-,38+,39-,40+/m1/s1 |
| Inchi Key | WYNKDHNSWBVRAM-QVHYGTEESA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 1.21 |
| Records Key | ['3', '3, lapathoside C'] |
| Records Name | ['Lapathoside C', 6-mono-O-feruloyl-3',6'-di-O-coumaroylsucrose"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
