Bioactive Compound Details
| BioID | bio879 |
|---|---|
| Name | YADANZIOSIDE C |
| ChEMBL ID | CHEMBL499465 |
| Molecular Formula | C34H46O17 |
| Molecular Weight | 726.73 |
| Molecular Weight (Monoisotopic) | 726.2735 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Yadanzioside C |
| Smiles | COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)(C)O)[C@@H]24 |
| Inchi | InChI=1S/C34H46O17/c1-12(31(3,4)45)7-18(36)51-24-26-33-11-47-34(26,30(44)46-6)27(42)23(41)25(33)32(5)9-15(19(37)13(2)14(32)8-17(33)50-28(24)43)48-29-22(40)21(39)20(38)16(10-35)49-29/h7,9,13-14,16-17,20-27,29,35,38-42,45H,8,10-11H2,1-6H3/b12-7+/t13-,14-,16+,17+,20+,21-,22+,23+,24+,25+,26+,27-,29+,32-,33+,34+/m0/s1 |
| Inchi Key | HOEZNQMKHRGGTI-HLPBMULKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.23 |
| Records Key | ['10', '6 (Yadanzioside-C)'] |
| Records Name | ['Yadanzioside C', 'Yadanzioside-C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
