LIPID MAPS

Structure Database (LMSD)

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Common Name

Glyasperin B

Systematic Name

3-(2,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one

Synonyms

LM ID

LMPK12113419

Formula

C₂₁H₂₂O₆

Exact Mass

Calculate m/z

370.14164

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Glycyrrhiza aspera (#74709)

Magnoliopsida (#3398)

Four New Prenylated Flavonoids, Glyasperins A, B, C, and D from the Roots of Glycyrrhiza aspera,
Heterocycles, 1992

DOI: 10.3987/com-91-5951

String Representations

InChiKey (Click to copy)

PDKHNRSRVURSHL-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C21H22O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-9,15,22-24H,6,10H2,1-3H3

SMILES (Click to copy)

C1(OC)=CC2OCC(C3C(O)=CC(O)=CC=3)C(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

PubChem CID

480784

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 3

Aromatic Rings 2

Rotatable Bonds 4

Van der Waals Molecular Volume 344.60

Topological Polar Surface Area 98.29

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 3.96

Molar Refractivity 100.62

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Created at

12th Jun 2026

Updated at