Bioactive Compound Details
| BioID | bio814 |
|---|---|
| Name | OXYTROFLAVOSIDE C |
| ChEMBL ID | CHEMBL2071419 |
| Molecular Formula | C34H40O19 |
| Molecular Weight | 752.68 |
| Molecular Weight (Monoisotopic) | 752.2164 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Oxytroflavoside C |
| Smiles | COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1 |
| Inchi | InChI=1S/C34H40O19/c1-13-23(41)25(43)26(44)32(48-13)53-31-27(45)29(51-21(40)11-34(2,46)10-20(38)39)19(12-35)50-33(31)52-30-24(42)22-17(37)8-16(47-3)9-18(22)49-28(30)14-4-6-15(36)7-5-14/h4-9,13,19,23,25-27,29,31-33,35-37,41,43-46H,10-12H2,1-3H3,(H,38,39)/t13-,19+,23-,25+,26+,27-,29-,31+,32-,33-,34-/m0/s1 |
| Inchi Key | CQADSNASXBHFTJ-RDPGBORESA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.07 |
| Records Key | ['3, Oxytroflavoside C'] |
| Records Name | ['rhamnocitrin-3-O-[(S)-3-hydroxy-3-methylglutaryl-(1->4)]-[alpha-L-rhamnopyranosyl-(1->2)]-beta-D-galactopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
