Structure Database (LMSD)

Common Name
Kenusanone B
Systematic Name
(2S)-2α-(2,4,6-Trihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
Synonyms
LM ID
LMPK12140475
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183506
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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/
Echinosophora koreensis (#228658)
Magnoliopsida (#3398)
Three 2′,4′,6′-Trioxygenated flavanones in roots of Echinosophora koreensis,
Phytochemistry, 1992

String Representations

InChiKey (Click to copy)
IHBZIMVYBKLCGV-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(8-6-13(3)4)25-22(24(15)31)19(29)11-20(32-25)21-17(27)9-14(26)10-18(21)28/h5-6,9-10,20,26-28,30-31H,7-8,11H2,1-4H3/t20-/m0/s1
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C2O[C@H](C3C(O)=CC(O)=CC=3O)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNI0014
PubChem CID
15138470

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 419.95
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.94
Molar Refractivity 119.79

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Created at
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Updated at
28th May 2026