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ScientificNameLabel
(+)-gallocatechin
PHCD compound ID : 2056
Chemical Names :
(+)-gallocatechin
Molecular Formula : C15H14O7
Molecular Weight : 306.073953
More Details :
Names & Synonyms: (2R,3S)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol , (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol , (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol , (2R,3S)-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol , (2R,3S)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol
Smiles: Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O
InChi : InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
InChi Key : InChIKey=XMOCLSLCDHWDHP-SWLSCSKDSA-N
PubChem ID : 65084
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 7 Ionization potential : 8.660179
Hydrogen bond donor count : 6 Electric dipole moment : 3.660
XLogP : 1.2 VDW volume : 254.839687
Molecular weight : 306.073953 HOMO-LUMO gap : 8.681000
Herb list :
Refrences & Litretures:
  
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
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'
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