epigallocatechin-3-gallate


SMILES Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O
InChIKey WMBWREPUVVBILR-WIYYLYMNSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 8
Rotatable bonds 3
Molecular weight (Da) 458.1

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 4.37 4.37 4.37 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 4.47 4.47 4.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAS2R5 TA2R5 Human Taste 2 T2 pEC50 4.91 4.91 4.91 Guide to Pharmacology