Structure Database (LMSD)

Common Name
Licoleafol
Systematic Name
(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone
Synonyms
LM ID
LMPK12140410
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
Field Survey of Glycyrrhiza Plants in Central Asia (2). Characterization of Phenolics and Their Variation in the Leaves of Glycyrrhiza Plants Collected in Kazakhstan,
Chem Pharm Bull, 2003

String Representations

InChiKey (Click to copy)
CIJATEIGJFIOPE-OUOXKOSGSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-10(9-21)2-4-12-14(23)7-16(25)19-17(26)8-18(27-20(12)19)11-3-5-13(22)15(24)6-11/h2-3,5-7,18,21-25H,4,8-9H2,1H3/b10-2+/t18-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/CO)=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
197079
METABOLOMICS ID
FL2FACNI0016
PubChem CID
11111496

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 336.09
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.98
Molar Refractivity 96.90

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Created at
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Updated at
4th Aug 2026