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ScientificNameLabel
Licoisoflavanone
PHCD compound ID : 3685
Chemical Names :
Licoisoflavanone
Molecular Formula : C20H18O6
Molecular Weight : 354.110338
More Details :
Names & Synonyms: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chroman-4-one , 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-3,4-dihydro-2H-1-benzopyran-4-one , 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one , 3-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
Smiles: Oc1cc(O)c2c(c1)OC[C@H](C2=O)c1ccc2c(c1O)C=CC(O2)(C)C
InChi : InChI=1S/C20H18O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-8,13,21-23H,9H2,1-2H3/t13-/m0/s1
InChi Key : InChIKey=JNDPLDZUOFZXIG-ZDUSSCGKSA-N
PubChem ID : 392443
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.531685
Hydrogen bond donor count : 3 Electric dipole moment : 3.257
XLogP : 1.551 VDW volume : 314.900007
Molecular weight : 354.110338 HOMO-LUMO gap : 7.915000
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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