Methyl Ferulate
Representations & DB's id
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| ChEBI: | CHEBI:67379 | |
|---|---|---|
| ChEMBL: | CHEMBL32969 | |
| PubChem: | 5357283 | |
| IUPAC: | methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+ | |
| Standard InChI Key: | AUJXJFHANFIVKH-GQCTYLIASA-N | |
| SMILES: | COC(=O)/C=C/c1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 1.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 208.07 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.182 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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