Bioactive Compound Details
| BioID | bio184 |
|---|---|
| Name | DIOSBULBISIN C |
| ChEMBL ID | CHEMBL1080471 |
| Molecular Formula | C27H40O5 |
| Molecular Weight | 444.61 |
| Molecular Weight (Monoisotopic) | 444.2876 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Diosbulbisin C |
| Smiles | C[C@@H]1[C@@]2(CC[C@@](C)(CO)O2)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]21O |
| Inchi | InChI=1S/C27H40O5/c1-16-26(12-11-23(2,15-28)32-26)31-22-14-21-19-6-5-17-13-18(29)7-9-24(17,3)20(19)8-10-25(21,4)27(16,22)30/h13,16,19-22,28,30H,5-12,14-15H2,1-4H3/t16-,19-,20+,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| Inchi Key | MJWCLSBMPLOHJT-BHRXFIPESA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.04 |
| Records Key | ['3, Diosbulbisin C'] |
| Records Name | ['(22S,25S)-17alpha,26-dihydroxy-22,25-epoxyfurost-4-en-3-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
