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ScientificNameLabel
Licoricone
PHCD compound ID : 3675
Chemical Names :
Licoricone
Molecular Formula : C22H22O6
Molecular Weight : 382.141638
More Details :
Names & Synonyms: 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one , 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-1-benzopyran-4-one , 3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)-6-oxidanyl-phenyl]-7-oxidanyl-chromen-4-one , 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromone
Smiles: COc1c(CC=C(C)C)c(OC)cc(c1c1coc2c(c1=O)ccc(c2)O)O
InChi : InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3
InChi Key : InChIKey=GGWMNTNDTRKETA-UHFFFAOYSA-N
PubChem ID : 5319013
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.435067
Hydrogen bond donor count : 2 Electric dipole moment : 3.205
XLogP : 3.227 VDW volume : 359.211976
Molecular weight : 382.141638 HOMO-LUMO gap : 7.593000
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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