Glycycoumarin

ScientificNameLabel

Glycycoumarin
PHCD compound ID :	3695
Chemical Names :	Glycycoumarin
Molecular Formula :	C21H20O6
Molecular Weight :	368.125988

More Details :

Names & Synonyms:	3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chromen-2-one , 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-1-benzopyran-2-one , 3-[2,4-bis(oxidanyl)phenyl]-5-methoxy-6-(3-methylbut-2-enyl)-7-oxidanyl-chromen-2-one , 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)coumarin
Smiles:	COc1c(CC=C(C)C)c(O)cc2c1cc(c(=O)o2)c1ccc(cc1O)O
InChi :	InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3
InChi Key :	InChIKey=NZYSZZDSYIBYLC-UHFFFAOYSA-N
PubChem ID :	5317756

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	6	Ionization potential :	8.821817
Hydrogen bond donor count :	3	Electric dipole moment :	8.470
XLogP :	3.001	VDW volume :	341.915992
Molecular weight :	368.125988	HOMO-LUMO gap :	7.711000

Herb list :

Licorice, Liquorice - Glycyrrhiza glabra - شیرین بیان

Refrences & Litretures:


512. Journal:'Food Chemistry' Year:'1990' Volume:'38' Page:'119' DOI:'' Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us