Coniferyl Aldehyde
Representations & DB's id
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| ChEBI: | CHEBI:16547 | |
|---|---|---|
| ChEMBL: | CHEMBL242529 | |
| PubChem: | 5280536 | |
| IUPAC: | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | |
| Standard InChI: | InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ | |
| Standard InChI Key: | DKZBBWMURDFHNE-NSCUHMNNSA-N | |
| SMILES: | O=C/C=C/c1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 1.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 178.06 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.1 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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