Bioactive Compound Details
| BioID | bio1472 |
|---|---|
| Name | HALOXYSTEROL C |
| ChEMBL ID | CHEMBL382961 |
| Molecular Formula | C29H46O2 |
| Molecular Weight | 426.69 |
| Molecular Weight (Monoisotopic) | 426.3498 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Haloxysterol C |
| Smiles | CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C |
| Inchi | InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1 |
| Inchi Key | AHQRPBWVJHINRW-XHVUHYHXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.74 |
| Records Key | ['3'] |
| Records Name | ['haloxysterol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
