3-(4-Hydroxy-3,5-Dimethoxyphenyl)Acrylaldehyde
Representations & DB's id
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| ChEBI: | CHEBI:27949 | |
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| ChEMBL: | CHEMBL225067 | |
| PubChem: | 5280802 | |
| IUPAC: | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal | |
| Standard InChI: | InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+ | |
| Standard InChI Key: | CDICDSOGTRCHMG-ONEGZZNKSA-N | |
| SMILES: | COc1cc(/C=C/C=O)cc(c1O)OC | |
Molecular propeties
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| AlogP: | 1.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| 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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