(Z)-3-Ethylidene-7-Hydroxy-6-Methoxyphthalide
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL487289 | |
| PubChem: | 25135576 | |
| IUPAC: | (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one | |
| Standard InChI: | InChI=1S/C11H10O4/c1-3-7-6-4-5-8(14-2)10(12)9(6)11(13)15-7/h3-5,12H,1-2H3/b7-3- | |
| Standard InChI Key: | YCVXJZRPLHJINO-CLTKARDFSA-N | |
| SMILES: | C/C=C/1OC(=O)c2c1ccc(c2O)OC | |
Molecular propeties
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| AlogP: | 1.93 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 206.06 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.091 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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