SEQ2FUN

BioLiP

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:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O
ACDLabs 12.01Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O
CACTVS 3.385O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
CACTVS 3.385O[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
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).