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ScientificNameLabel
5-O-Methylglycyrol
PHCD compound ID : 3690
Chemical Names :
5-O-Methylglycyrol
Molecular Formula : C22H20O6
Molecular Weight : 380.125988
More Details :
Names & Synonyms: 9-hydroxy-1,3-dimethoxy-2-(3-methylbut-2-enyl)benzofuro[3,2-c]chromen-6-one , 9-hydroxy-1,3-dimethoxy-2-(3-methylbut-2-enyl)-6-benzofuro[3,2-c][1]benzopyranone , 9-hydroxy-1,3-dimethoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one , 1,3-dimethoxy-2-(3-methylbut-2-enyl)-9-oxidanyl-[1]benzofuro[3,2-c]chromen-6-one
Smiles: COc1cc2oc(=O)c3c(c2c(c1CC=C(C)C)OC)oc1c3ccc(c1)O
InChi : InChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3
InChi Key : InChIKey=ACDSUMGMZHXCRO-UHFFFAOYSA-N
PubChem ID : 5319666
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.559756
Hydrogen bond donor count : 1 Electric dipole moment : 4.865
XLogP : 3.512 VDW volume : 335.955518
Molecular weight : 380.125988 HOMO-LUMO gap : 7.470000
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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