Structure Database (LMSD)
Common Name
Liquiritigenin
Systematic Name
Synonyms
3D model of Liquiritigenin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
FURUXTVZLHCCNA-AWEZNQCLSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)CC(=O)C2=CC=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
3
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
225.86
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.80
Molar Refractivity
68.53
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Updated at
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