Beta-Hydroxypropiovanillone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL485875 | |
| PubChem: | 75142 | |
| IUPAC: | 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one | |
| Standard InChI: | InChI=1S/C10H12O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,11,13H,4-5H2,1H3 | |
| Standard InChI Key: | NXCPMSUBVRGTSE-UHFFFAOYSA-N | |
| SMILES: | OCCC(=O)c1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 0.97 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 196.07 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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