| PDB CCD ID: | 28E |
| Number of entries in BioLiP: | 13 |
| Chemical formula: | C15 H14 O6 |
| InChI: | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 |
| InChIKey: | PFTAWBLQPZVEMU-UKRRQHHQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O | | OpenEye OEToolkits 1.7.6 | c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O | | ACDLabs 12.01 | Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O | | CACTVS 3.385 | O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 | | CACTVS 3.385 | O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3 |
|
| Name: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;
Epicatechin |
| ChEMBL: | CHEMBL583912 |
| DrugBank: | DB12039 |
| ZINC: | ZINC000000119988 |
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