(-)-Epicatechin Gallate

Catalog	BBC1257085
CAS	1257-08-5
Description	(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
Synonyms	(2R)-2α-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3β,5,7-triol 3-(3,4,5-trihydroxybenzoate)
IUPAC Name	[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	442.37
Molecular Formula	C22H18O10
Canonical 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
InChI	InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
InChI Key	LSHVYAFMTMFKBA-TZIWHRDSSA-N
Boiling Point	861.7±65.0 °C
Melting Point	257-258 °C
Purity	98%
Density	1.80±0.1 g/ml
Appearance	White powder
pKa	7.75±0.25