Bioactive Compound Details
| BioID | bio198439 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2048116 |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.31 |
| Molecular Weight (Monoisotopic) | 252.1362 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Hydroxyethyl 4,5-Didehydrojasmonate |
| Smiles | CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OCCO |
| Inchi | InChI=1S/C14H20O4/c1-2-3-4-5-12-11(6-7-13(12)16)10-14(17)18-9-8-15/h3-4,6-7,11-12,15H,2,5,8-10H2,1H3/b4-3-/t11-,12+/m0/s1 |
| Inchi Key | XFFWFACAYAWUET-RRNNCXACSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.9 |
| Records Key | ['11'] |
| Records Name | ['2-Hydroxyethyl 4,5-didehydrojasmonate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
