(-)-Epiafzelechin Gallate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL159706 | |
| PubChem: | 467295 | |
| IUPAC: | [(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | |
| Standard InChI: | InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)21-19(9-14-15(25)7-13(24)8-18(14)30-21)31-22(29)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1 | |
| Standard InChI Key: | SDZPYNMXGUHFMZ-TZIWHRDSSA-N | |
| SMILES: | Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C[C@H]1OC(=O)c1cc(O)c(c(c1)O)O)O | |
Molecular propeties
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| AlogP: | 2.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 426.1 | |
| Topological polar surface area: | 157 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.136 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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