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ScientificNameLabel
Licoisoflavone A
PHCD compound ID : 3673
Chemical Names :
Licoisoflavone A
Molecular Formula : C20H18O6
Molecular Weight : 354.110338
More Details :
Names & Synonyms: 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one , 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-1-benzopyran-4-one , 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one , 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one , 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromone
Smiles: CC(=CCc1c(O)ccc(c1O)c1coc2c(c1=O)c(O)cc(c2)O)C
InChi : InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChi Key : InChIKey=KCUZCRLRQVRBBV-UHFFFAOYSA-N
PubChem ID : 5281789
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.684868
Hydrogen bond donor count : 4 Electric dipole moment : 5.032
XLogP : 2.585 VDW volume : 324.620007
Molecular weight : 354.110338 HOMO-LUMO gap : 8.086000
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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