3-(3,4-Dihydroxyphenyl)-2-Hydroxypropanoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:17807 | |
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| ChEMBL: | CHEMBL3392011 | |
| PubChem: | 439435 | |
| IUPAC: | 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid | |
| Standard InChI: | InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14) | |
| Standard InChI Key: | PAFLSMZLRSPALU-UHFFFAOYSA-N | |
| SMILES: | OC(=O)C(Cc1ccc(c(c1)O)O)O | |
Molecular propeties
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| AlogP: | 0.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 198.05 | |
| Topological polar surface area: | 98 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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