Structure Database (LMSD)

Common Name
Liquiritigenin
Systematic Name
Synonyms
LM ID
LMPK12140061
Formula
C15H12O4
Exact Mass
Calculate m/z
256.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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/

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

KEGG ID
C09762
CHEBI ID
28777
METABOLOMICS ID
FL2F1ANS0001
PubChem CID
114829
PDB ID
DFV
GuidePharm ID
8899

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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