theaflavin


SMILES C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O
InChIKey IPMYMEWFZKHGAX-ZKSIBHASSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 9
Rotatable bonds 2
Molecular weight (Da) 564.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAS2R39 T2R39 Human Taste 2 T2 pEC50 5.55 5.55 5.55 Guide to Pharmacology