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ScientificNameLabel
Licoricidin
PHCD compound ID : 3665
Chemical Names :
Licoricidin
Molecular Formula : C26H32O5
Molecular Weight : 424.224974
More Details :
Names & Synonyms: 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol , 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol , 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol , 4-[(3R)-5-methoxy-6-(3-methylbut-2-enyl)-7-oxidanyl-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol , 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)resorcinol
Smiles: COc1c2C[C@@H](COc2cc(c1CC=C(C)C)O)c1ccc(c(c1O)CC=C(C)C)O
InChi : InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1
InChi Key : InChIKey=GBRZTUJCDFSIHM-KRWDZBQOSA-N
PubChem ID : 480865
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.478751
Hydrogen bond donor count : 3 Electric dipole moment : 3.646
XLogP : 4.587 VDW volume : 422.242147
Molecular weight : 424.224974 HOMO-LUMO gap : 8.506000
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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