Structure Database (LMSD)

Common Name
Isoliquiritigenin
Systematic Name
Synonyms
LM ID
LMPK12120096
Formula
Exact Mass
Calculate m/z
256.07356
Status
Active



Main

Classification

String Representations

InChiKey (Click to copy)
DXDRHHKMWQZJHT-FPYGCLRLSA-N
InChi (Click to copy)
InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
SMILES (Click to copy)
C1(O)=CC=C(C(=O)/C=C/C2C=CC(O)=CC=2)C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 235.58
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 2.70
Molar Refractivity 71.24

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Created at
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Updated at
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