theaflavin-3′-O-gallate


SMILES C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C3C=C(C=C(C4=O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O
InChIKey KMJPKUVSXFVQGZ-WQLSNUALSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 11
Rotatable bonds 4
Molecular weight (Da) 716.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAS2R39 T2R39 Human Taste 2 T pEC50 6.17 6.17 6.17 Guide to Pharmacology