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ScientificNameLabel
Kumatakenin
PHCD compound ID : 3678
Chemical Names :
Kumatakenin
Molecular Formula : C17H14O6
Molecular Weight : 314.079038
More Details :
Names & Synonyms: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-1-benzopyran-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one , 2-(4-hydroxyphenyl)-3,7-dimethoxy-5-oxidanyl-chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromone
Smiles: COc1c(oc2c(c1=O)c(O)cc(c2)OC)c1ccc(cc1)O
InChi : InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
InChi Key : InChIKey=BJBUTJQYZDYRMJ-UHFFFAOYSA-N
PubChem ID : 5318869
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.737329
Hydrogen bond donor count : 2 Electric dipole moment : 3.202
XLogP : 1.699 VDW volume : 275.368512
Molecular weight : 314.079038 HOMO-LUMO gap : 7.866000
Herb list :
Refrences & Litretures:
  
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
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