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ScientificNameLabel
Licocoumarone
PHCD compound ID : 3693
Chemical Names :
Licocoumarone
Molecular Formula : C20H20O5
Molecular Weight : 340.131074
More Details :
Names & Synonyms: 4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)benzofuran-2-yl]benzene-1,3-diol , 4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-2-benzofuranyl]benzene-1,3-diol , 4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol , 4-[4-methoxy-5-(3-methylbut-2-enyl)-6-oxidanyl-1-benzofuran-2-yl]benzene-1,3-diol , 4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)benzofuran-2-yl]resorcinol
Smiles: COc1c(CC=C(C)C)c(O)cc2c1cc(o2)c1ccc(cc1O)O
InChi : InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3
InChi Key : InChIKey=CNPMAFLUEHEXRE-UHFFFAOYSA-N
PubChem ID : 503731
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.008654
Hydrogen bond donor count : 3 Electric dipole moment : 4.673
XLogP : 3.387 VDW volume : 307.566239
Molecular weight : 340.131074 HOMO-LUMO gap : 7.517000
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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