Bioactive Compound Details
| BioID | bio1326 |
|---|---|
| Name | SCHIRUBRIDILACTONE C |
| ChEMBL ID | CHEMBL1076666 |
| Molecular Formula | C29H36O11 |
| Molecular Weight | 560.6 |
| Molecular Weight (Monoisotopic) | 560.2258 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Schirubridilactone C |
| Smiles | C[C@@H]1C(=O)[C@@]2(C)CC[C@]34C[C@]56OC(=O)C[C@H]5O[C@@](C)(CO)[C@@H]6CC[C@@]3(O)C(=O)[C@@]3(O[C@]5(C[C@H](C)C(=O)O5)[C@@H]1[C@H]32)O4 |
| Inchi | InChI=1S/C29H36O11/c1-13-10-28(38-21(13)33)18-14(2)20(32)23(3)7-8-25-11-26-15(24(4,12-30)36-16(26)9-17(31)37-26)5-6-27(25,35)22(34)29(39-25,40-28)19(18)23/h13-16,18-19,30,35H,5-12H2,1-4H3/t13-,14-,15-,16+,18-,19-,23-,24-,25-,26+,27+,28+,29+/m0/s1 |
| Inchi Key | KWZAQNBIRDZLHQ-AIIWDFQCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.65 |
| Records Key | ['3'] |
| Records Name | ['schirubridilactone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
