Bioactive Compound Details
| BioID | bio1414 |
|---|---|
| Name | USTUSOLATE C |
| ChEMBL ID | CHEMBL1079307 |
| Molecular Formula | C23H32O6 |
| Molecular Weight | 404.5 |
| Molecular Weight (Monoisotopic) | 404.2199 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Ustusolate C |
| Smiles | CC(O)C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 |
| Inchi | InChI=1S/C23H32O6/c1-15(24)9-6-5-7-10-18(25)29-17-13-16-14-28-20(26)23(16,27)22(4)12-8-11-21(2,3)19(17)22/h5-7,10,13,15,17,19,24,27H,8-9,11-12,14H2,1-4H3/b6-5+,10-7+/t15?,17-,19+,22+,23+/m1/s1 |
| Inchi Key | GWQSYRUODDDVOT-WMQXXUAISA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.05 |
| Records Key | ['6, Ustusolate C'] |
| Records Name | ['9alpha-hydroxy-6beta-(7-hydroxyocta-2E,4E-dienoyloxy)-5alpha-drim-7-en-11,12-olide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
