Bioactive Compound Details
| BioID | bio1104 |
|---|---|
| Name | SUTHERLANDIOSIDE C |
| ChEMBL ID | CHEMBL499425 |
| Molecular Formula | C36H58O10 |
| Molecular Weight | 650.85 |
| Molecular Weight (Monoisotopic) | 650.403 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Sutherlandioside C |
| Smiles | C[C@H](CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC(=O)[C@@]45C[C@@]35C(=O)C[C@]12C |
| Inchi | InChI=1S/C36H58O10/c1-18(8-11-23(38)32(4,5)46-30-29(44)28(43)27(42)20(16-37)45-30)19-12-13-33(6)22-10-9-21-31(2,3)24(39)14-25(40)35(21)17-36(22,35)26(41)15-34(19,33)7/h18-24,27-30,37-39,42-44H,8-17H2,1-7H3/t18-,19-,20-,21+,22+,23+,24-,27-,28+,29-,30+,33+,34-,35-,36+/m1/s1 |
| Inchi Key | SVWHPFGWCGIUTH-SBIZFOGGSA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 2.62 |
| Records Key | ['3, Sutherlandioside C'] |
| Records Name | ['3R,24S,25-trihydroxycycloartane-1,11-dione 25-O-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
