Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 42
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Liquiritigenin
ScientificNameLabel
Liquiritigenin
PHCD compound ID :
3680
Chemical Names :
Liquiritigenin
Molecular Formula :
C15H12O4
Molecular Weight :
256.073559
More Details :
Names & Synonyms:
(2S)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one , (2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one , (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one , (2S)-2-(4-hydroxyphenyl)-7-oxidanyl-2,3-dihydrochromen-4-one
Smiles:
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2)O
InChi :
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChi Key :
InChIKey=FURUXTVZLHCCNA-AWEZNQCLSA-N
PubChem ID :
114829
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
9.378426
Hydrogen bond donor count :
2
Electric dipole moment :
2.163
XLogP :
0.871
VDW volume :
225.832548
Molecular weight :
256.073559
HOMO-LUMO gap :
8.853000
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