LIPID MAPS

Structure Database (LMSD)

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Common Name

Flemichapparin A

Systematic Name

(E)-1-(5,8-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-2-propen-1-one

Synonyms

LM ID

LMPK12120134

Formula

C₂₀H₁₈O₄

Exact Mass

Calculate m/z

322.12051

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Flemingia chappar (#2595076)

Magnoliopsida (#3398)

New natural chalcones from flemingia chappar ham,
Tetrahedron Letts, 1970

DOI: 10.1016/S0040-4039(00)89487-3

String Representations

InChiKey (Click to copy)

HZEJNIAQUFJSBF-CMDGGOBGSA-N

InChi (Click to copy)

InChI=1S/C20H18O4/c1-20(2)11-10-14-18(23)15(12-17(22)19(14)24-20)16(21)9-8-13-6-4-3-5-7-13/h3-12,22-23H,1-2H3/b9-8+

SMILES (Click to copy)

C1=CC=CC=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=C(O)C=1

Other Databases

METABOLOMICS ID

FL1C29NP0001

PubChem CID

11110066

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 3

Aromatic Rings 2

Rotatable Bonds 3

Van der Waals Molecular Volume 307.08

Topological Polar Surface Area 68.83

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 4.46

Molar Refractivity 93.83

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Created at

Updated at

27th May 2026