Bioactive Compound Details
| BioID | bio199829 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL453564 |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.38 |
| Molecular Weight (Monoisotopic) | 292.1675 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Beta-Acetoxysubergoric Acid |
| Smiles | CC(=O)O[C@H]1C[C@H](C)[C@H]2CC[C@]3(C)C=C(C(=O)O)[C@@H](C)[C@]123 |
| Inchi | InChI=1S/C17H24O4/c1-9-7-14(21-11(3)18)17-10(2)12(15(19)20)8-16(17,4)6-5-13(9)17/h8-10,13-14H,5-7H2,1-4H3,(H,19,20)/t9-,10+,13+,14-,16+,17+/m0/s1 |
| Inchi Key | MVLDXYFDAJPYLM-PYULSUTASA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.07 |
| Records Key | ['2'] |
| Records Name | ['2-beta-acetoxysubergoric acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
