Bioactive Compound Details
| BioID | bio62 |
|---|---|
| Name | PHOMADECALIN C |
| ChEMBL ID | CHEMBL447417 |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.3 |
| Molecular Weight (Monoisotopic) | 262.1205 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Phomadecalin C |
| Smiles | C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=C[C@H]2O)C=CC(=O)[C@@H]1C |
| Inchi | InChI=1S/C15H18O4/c1-8(7-16)15-12(18)6-10-4-5-11(17)9(2)14(10,3)13(15)19-15/h4-6,9,12-13,16,18H,1,7H2,2-3H3/t9-,12+,13+,14+,15-/m0/s1 |
| Inchi Key | XUTGMBDRFZBAHV-BGJHODNPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.67 |
| Records Key | ['3'] |
| Records Name | ['phomadecalin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
