(S)-3-Ethyl-7-Hydroxy-6-Methoxyphthalide
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL502750 | |
| PubChem: | 25137302 | |
| IUPAC: | (3S)-3-ethyl-7-hydroxy-6-methoxy-3H-2-benzofuran-1-one | |
| Standard InChI: | InChI=1S/C11H12O4/c1-3-7-6-4-5-8(14-2)10(12)9(6)11(13)15-7/h4-5,7,12H,3H2,1-2H3/t7-/m0/s1 | |
| Standard InChI Key: | CJPMLOYFDLJAKU-ZETCQYMHSA-N | |
| SMILES: | CC[C@@H]1OC(=O)c2c1ccc(c2O)OC | |
Molecular propeties
| ||
| AlogP: | 2.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 208.07 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.273 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|