Bioactive Compound Details
| BioID | bio1294 |
|---|---|
| Name | GELLIUSTEROL C |
| ChEMBL ID | CHEMBL460038 |
| Molecular Formula | C27H40O2 |
| Molecular Weight | 396.62 |
| Molecular Weight (Monoisotopic) | 396.3028 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | CC(C)C#CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Inchi | InChI=1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,8-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| Inchi Key | KGLIARATBBHHHP-ABXCMAEBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.79 |
| Records Key | ['4, (gelliusterols C)'] |
| Records Name | ['cholest-5-en-23-yn-3beta,7-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
