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Substrate Report for: Epicatechin-gallate

Name Class
Epicatechin-gallateTypeDerivative of Gallate
Natural
Polyphenol
Benzoate
Other_Name (9)
Chemical_Nomenclature[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
FormulaC22H18O10
CAS_number1257-08-5
MW442.4
Paper (8)
CommentA natural product found in Parapiptadenia rigida. It has a role as a metabolite, an EC 3.2.1.1 (alpha-amylase) inhibitor and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. One Hydroxy less than Epigallocatechin-gallate
Gene_locus (7)
CID107905
FamilyAlphaBeta_hydrolase
Plant_carboxylesterase
InChIKeyLSHVYAFMTMFKBA-TZIWHRDSSA-N
CanonicalSMILESC1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChIInChI=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

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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