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Licochalcone A
PHCD compound ID : 3699
Chemical Names :
Licochalcone A
Molecular Formula : C21H22O4
Molecular Weight : 338.151809
More Details :
Names & Synonyms: (E)-3-[5-(1,1-dimethylallyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one , (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)-2-propen-1-one , (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one , (E)-1-(4-hydroxyphenyl)-3-[2-methoxy-5-(2-methylbut-3-en-2-yl)-4-oxidanyl-phenyl]prop-2-en-1-one
Smiles: C=CC(c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC)(C)C
InChi : InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
InChi Key : InChIKey=KAZSKMJFUPEHHW-DHZHZOJOSA-N
PubChem ID : 5318998
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.969305
Hydrogen bond donor count : 2 Electric dipole moment : 2.096
XLogP : 3.733 VDW volume : 336.691997
Molecular weight : 338.151809 HOMO-LUMO gap : 8.292000
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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