Bioactive Compound Details
| BioID | bio1401 |
|---|---|
| Name | ALPINDENOSIDE C |
| ChEMBL ID | CHEMBL538421 |
| Molecular Formula | C32H50O14 |
| Molecular Weight | 658.74 |
| Molecular Weight (Monoisotopic) | 658.3201 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Alpindenoside C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@H]5C[C@H](C6=CCOC6=O)OC(O)[C@@H]5CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C32H50O14/c1-13-21(34)23(36)25(38)29(42-13)46-26-24(37)22(35)18(12-33)44-30(26)45-20-7-9-32(4)16-11-17(15-8-10-41-27(15)39)43-28(40)14(16)5-6-19(32)31(20,2)3/h8,13-14,16-26,28-30,33-38,40H,5-7,9-12H2,1-4H3/t13-,14+,16+,17+,18+,19-,20-,21-,22+,23+,24-,25+,26+,28?,29-,30-,32+/m0/s1 |
| Inchi Key | RPQCAISSRKTLEA-BOWDQLTHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 3.03 |
| Records Key | ['3'] |
| Records Name | ['Alpindenoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
