3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3185646 | |
| PubChem: | 709 | |
| IUPAC: | 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) | |
| Standard InChI Key: | KSEBMYQBYZTDHS-UHFFFAOYSA-N | |
| SMILES: | COc1cc(C=CC(=O)O)ccc1O | |
Molecular propeties
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| AlogP: | 1.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 194.06 | |
| Topological polar surface area: | 66.8 | |
| 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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