2-O-(3,4-Dihydroxybenzoyl)-2,4,6-Trihydroxyphenylacetic Acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL521876 | |
| PubChem: | 44583925 | |
| IUPAC: | 2-[2-(3,4-dihydroxybenzoyl)oxy-4,6-dihydroxyphenyl]acetic acid | |
| Standard InChI: | InChI=1S/C15H12O8/c16-8-4-11(18)9(6-14(20)21)13(5-8)23-15(22)7-1-2-10(17)12(19)3-7/h1-5,16-19H,6H2,(H,20,21) | |
| Standard InChI Key: | YTJJRAWFHJBAMT-UHFFFAOYSA-N | |
| SMILES: | OC(=O)Cc1c(cc(cc1O)O)OC(=O)c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.36 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 320.05 | |
| Topological polar surface area: | 145 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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