3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:36281 | |
|---|---|---|
| ChEMBL: | CHEMBL3181904 | |
| PubChem: | 2518 | |
| IUPAC: | 3-(3,4-dihydroxyphenyl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) | |
| Standard InChI Key: | QAIPRVGONGVQAS-UHFFFAOYSA-N | |
| SMILES: | OC(=O)C=Cc1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 180.04 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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