Bioactive Compound Details
| BioID | bio154 |
|---|---|
| Name | VOLVALERENAL C |
| ChEMBL ID | CHEMBL1224788 |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.38 |
| Molecular Weight (Monoisotopic) | 292.1675 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Volvalerenal C |
| Smiles | CC(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC/C(C=O)=C\[C@H]2[C@@H]1C2(C)C |
| Inchi | InChI=1S/C17H24O4/c1-10(19)20-13-8-17(4)14(21-17)6-5-11(9-18)7-12-15(13)16(12,2)3/h7,9,12-15H,5-6,8H2,1-4H3/b11-7+/t12-,13-,14+,15-,17+/m0/s1 |
| Inchi Key | YMAUHVYKJCCITR-HJNLJHLQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.28 |
| Records Key | ['4'] |
| Records Name | ['Volvalerenal C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
