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ScientificNameLabel
Echinatin
PHCD compound ID : 3701
Chemical Names :
Echinatin
Molecular Formula : C16H14O4
Molecular Weight : 270.089209
More Details :
Names & Synonyms: (E)-3-(4-hydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one , (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one , (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one , (E)-1-(4-hydroxyphenyl)-3-(2-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one
Smiles: COc1cc(O)ccc1/C=C/C(=O)c1ccc(cc1)O
InChi : InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
InChi Key : InChIKey=QJKMIJNRNRLQSS-WEVVVXLNSA-N
PubChem ID : 6442675
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.893013
Hydrogen bond donor count : 2 Electric dipole moment : 4.338
XLogP : 1.35 VDW volume : 252.848533
Molecular weight : 270.089209 HOMO-LUMO gap : 8.200000
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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