Structure Database (LMSD)

Common Name
Licoisoflavone B
Systematic Name
5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one
Synonyms
LM ID
LMPK12050309
Formula
C20H16O6
Exact Mass
Calculate m/z
352.09469
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]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Glycyrrhiza (#46347)
Magnoliopsida (#3398)
A New Isoflavone and the Corresponding Isoflavanone of Licorice Root,
Chem Pharm Bull, 1978

String Representations

InChiKey (Click to copy)
KIZPADOTOCPASX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-9,21-23H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC4OC(C)(C)C=CC=4C=3O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIAALNP0002
PubChem CID
5481234

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 301.40
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.95
Molar Refractivity 97.28

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Created at
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Updated at
1st Aug 2025