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ScientificNameLabel
Glabranin
PHCD compound ID : 3660
Chemical Names :
Glabranin , Glabranin isomer
Molecular Formula : C20H20O4
Molecular Weight : 324.136159
More Details :
Names & Synonyms: (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one , (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one , (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one , (2S)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
Smiles: CC(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccccc1)O)C
InChi : InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
InChi Key : InChIKey=DAWSYIQAGQMLFS-SFHVURJKSA-N
PubChem ID : 124049
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.937259
Hydrogen bond donor count : 2 Electric dipole moment : 2.249
XLogP : 3.127 VDW volume : 309.676012
Molecular weight : 324.136159 HOMO-LUMO gap : 8.648000
Herb list :
Refrences & Litretures:
  
511.      Journal:'Fitoterapia'      Year:'2011'      Volume:'82'      Page:'546'      DOI:'10.1016/j.?tote.2011.01.009'      Title:'Phytocomplexes from liquorice (Glycyrrhiza glabra L.) leaves — Chemical characterization and evaluation of their antioxidant, anti-genotoxic and anti-in?ammatory activity'
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
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