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ScientificNameLabel
4'-O-Methylglabridin
PHCD compound ID : 3668
Chemical Names :
4'-O-Methylglabridin
Molecular Formula : C21H22O4
Molecular Weight : 338.151809
More Details :
Names & Synonyms: 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxy-phenol , 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f][1]benzopyran-3-yl)-5-methoxyphenol , 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C
InChi : InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3/t14-/m0/s1
InChi Key : InChIKey=ZZAIPFIGEGQNHP-AWEZNQCLSA-N
PubChem ID : 5319664
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.331447
Hydrogen bond donor count : 1 Electric dipole moment : 3.371
XLogP : 2.587 VDW volume : 317.251997
Molecular weight : 338.151809 HOMO-LUMO gap : 8.307000
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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