SEQ2FUN

BioLiP

PDB CCD ID: EGT
Number of entries in BioLiP: 3
Chemical formula: C15 H14 O7
InChI: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
InChIKey: XMOCLSLCDHWDHP-IUODEOHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O
CACTVS 3.341O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
ACDLabs 10.04Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)O
CACTVS 3.341O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3cc(O)c(O)c(O)c3
Name:2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL;
EPIGALLOCATECHIN
ChEMBL: CHEMBL47386
DrugBank: DB03823
ZINC: ZINC000003870336
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).