Structure Database (LMSD)

Common Name
Liquiritin
Systematic Name
(2S)-2,3-Dihydro-7-hydroxy-2-[4-(β-D-glucopyranosyloxy)phenyl]-4H-1-benzopyran-4-one
Synonyms
  • 7-Hydroxyflavanone 4'-O-glucoside
LM ID
LMPK12140021
Formula
C21H22O9
Exact Mass
Calculate m/z
418.126385
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Glycyrrhiza uralensis (#74613)
Magnoliopsida (#3398)
Flavonoid glycosides of the roots of Glycyrrhiza uralensis,
Phytochemistry, 1985

String Representations

InChiKey (Click to copy)
DEMKZLAVQYISIA-ZRWXNEIDSA-N
InChi (Click to copy)
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)CC(=O)C=2C=C1

Other Databases

CHEBI ID
80845
METABOLOMICS ID
FL2F1AGS0001
PubChem CID
503737
PDB ID
A1ETR

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 361.25
Topological Polar Surface Area 150.05
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 1.99
Molar Refractivity 104.31

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Created at
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Updated at
15th Jul 2026