Structure Database (LMSD)

Common Name
Fleminone
Systematic Name
(S)-2,3-Dihydro-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Synonyms
LM ID
LMPK12140509
Formula
C26H28O6
Exact Mass
Calculate m/z
436.188591
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/
Flemingia macrophylla (#520843)
Magnoliopsida (#3398)
Fleminone, a flavanone from the stems of Flemingia macrophylla,
Phytochemistry, 1983

String Representations

InChiKey (Click to copy)
BCGZYQZPALWTAY-NRFANRHFSA-N
InChi (Click to copy)
InChI=1S/C26H28O6/c1-14(2)6-8-17-23(29)22-20(28)13-21(16-9-7-15(30-5)12-19(16)27)31-25(22)18-10-11-26(3,4)32-24(17)18/h6-7,9-12,21,27,29H,8,13H2,1-5H3/t21-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1O[C@H](C3C(O)=CC(OC)=CC=3)CC(=O)C=1C(O)=C2C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FALNP0005
PubChem CID
101326868

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 416.10
Topological Polar Surface Area 89.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.79
Molar Refractivity 122.47

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Created at
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Updated at
14th Apr 2026