(Z)-3-Ethylidene-6,7-Dimethoxyphthalide
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL508455 | |
| PubChem: | 25135577 | |
| IUPAC: | (3Z)-3-ethylidene-6,7-dimethoxy-2-benzofuran-1-one | |
| Standard InChI: | InChI=1S/C12H12O4/c1-4-8-7-5-6-9(14-2)11(15-3)10(7)12(13)16-8/h4-6H,1-3H3/b8-4- | |
| Standard InChI Key: | TWRVIBBQOKJIPK-YWEYNIOJSA-N | |
| SMILES: | C/C=C/1OC(=O)c2c1ccc(c2OC)OC | |
Molecular propeties
| ||
| AlogP: | 2.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 220.07 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|