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ScientificNameLabel
Glycyrin
PHCD compound ID : 3694
Chemical Names :
Glycyrin
Molecular Formula : C22H22O6
Molecular Weight : 382.141638
More Details :
Names & Synonyms: 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one , 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-1-benzopyran-2-one , 3-[2,4-bis(oxidanyl)phenyl]-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one , 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)coumarin
Smiles: COc1c(CC=C(C)C)c(OC)cc2c1cc(c(=O)o2)c1ccc(cc1O)O
InChi : InChI=1S/C22H22O6/c1-12(2)5-7-15-19(26-3)11-20-17(21(15)27-4)10-16(22(25)28-20)14-8-6-13(23)9-18(14)24/h5-6,8-11,23-24H,7H2,1-4H3
InChi Key : InChIKey=FWWGXZYUURXJLK-UHFFFAOYSA-N
PubChem ID : 480787
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.752236
Hydrogen bond donor count : 2 Electric dipole moment : 5.353
XLogP : 3.322 VDW volume : 359.211976
Molecular weight : 382.141638 HOMO-LUMO gap : 7.696000
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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