epicatechin gallate


SMILES C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChIKey LSHVYAFMTMFKBA-TZIWHRDSSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 3
Molecular weight (Da) 442.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pKi 4.02 4.02 4.02 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 4.33 4.33 4.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAS2R39 T2R39 Human Taste 2 T2 pEC50 4.67 4.67 4.67 Guide to Pharmacology