| BioID | bio198119 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2048115 |
|---|
| Molecular Formula | C19H22O4 |
|---|
| Molecular Weight | 314.38 |
|---|
| Molecular Weight (Monoisotopic) | 314.1518 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Methoxyphenyl 4,5-Didehydrojasmonate |
|---|
| Smiles | CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)Oc1ccccc1OC |
|---|
| Inchi | InChI=1S/C19H22O4/c1-3-4-5-8-15-14(11-12-16(15)20)13-19(21)23-18-10-7-6-9-17(18)22-2/h4-7,9-12,14-15H,3,8,13H2,1-2H3/b5-4-/t14-,15+/m0/s1 |
|---|
| Inchi Key | BDSGESFJGDXIOL-ZYOQUQOHSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 1.19 |
|---|
| Records Key | ['10'] |
|---|
| Records Name | ['2-Methoxyphenyl 4,5-didehydrojasmonate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
