Structure Database (LMSD)

Common Name
Kushenol C
Systematic Name
3,5,7,2',4'-Pentahydroxy-8-lavandulylflavone
Synonyms
LM ID
LMPK12112514
Formula
C25H26O7
Exact Mass
Calculate m/z
438.167856
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]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Sophora flavescens (#49840)
Magnoliopsida (#3398)
Studies on the Constituents of Sophora flavescens AITON. II,
Chem Pharm Bull (Tokyo), 1985

String Representations

InChiKey (Click to copy)
WAAPHYJTKSTXSX-CQSZACIVSA-N
InChi (Click to copy)
InChI=1S/C25H26O7/c1-12(2)5-6-14(13(3)4)9-17-19(28)11-20(29)21-22(30)23(31)25(32-24(17)21)16-8-7-15(26)10-18(16)27/h5,7-8,10-11,14,26-29,31H,3,6,9H2,1-2,4H3/t14-/m1/s1
SMILES (Click to copy)
C1(O)=C(C[C@@H](C/C=C(\C)/C)C(=C)C)C2OC(C3C(O)=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FALNI0001
PubChem CID
5481237

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 406.41
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 5.98
Molar Refractivity 122.41

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Created at
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Updated at
9th Dec 2025