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ScientificNameLabel
(-)-epicatechin
PHCD compound ID : 4107
Chemical Names :
(-)-epicatechin
Molecular Formula : C22H18O10
Molecular Weight : 442.089997
More Details :
Names & Synonyms: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate , 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester , [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate , [(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate , 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester
Smiles: Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)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 : InChIKey=LSHVYAFMTMFKBA-TZIWHRDSSA-N
PubChem ID : 107905
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 8.793790
Hydrogen bond donor count : 7 Electric dipole moment : 2.134
XLogP : 2.636 VDW volume : 368.479966
Molecular weight : 442.089997 HOMO-LUMO gap : 8.159000
Herb list :
Refrences & Litretures:
  
570.      Journal:'Food Research International'      Year:'2000'      Volume:'33'      Page:'423'      DOI:''      Title:'Review on polyphenols in Theobroma cacao: changes in composition during the manufacture of chocolate and methodology for identification and quantification'
885.      Journal:'Food Chemistry'      Year:'2010'      Volume:'120'      Page:'349'      DOI:'10.1016/j.foodchem.2009.09.063'      Title:'The importance of almond (Prunus amygdalus L.) and its by-products'
970.      Journal:'Biocatalysis and Agricultural Biotechnology'      Year:'2019'      Volume:'19'      Page:'101163'      DOI:'10.1016/j.bcab.2019.101163'      Title:'Datura innoxia and Dipsacus laciniatus: Biological activity and phenolic composition'
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