Bioactive Compound Details
| BioID | bio198360 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1163507 |
| Molecular Formula | C17H26O3 |
| Molecular Weight | 278.39 |
| Molecular Weight (Monoisotopic) | 278.1882 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Acetaxyacorenone |
| Smiles | CC(=O)O[C@@H]1C[C@H](C)[C@@]2(CC=C(C)C(=O)C2)[C@@H]1C(C)C |
| Inchi | InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3/t12-,15+,16+,17-/m0/s1 |
| Inchi Key | LDEHIZSFHFOEKN-DXEWXGHRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.05 |
| Records Key | ['2-acetaxyacorenone'] |
| Records Name | ['2-acetaxyacorenone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
