LIPID MAPS

Structure Database (LMSD)

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Common Name

Bavachromene

Systematic Name

(E)-1-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one

Synonyms

LM ID

LMPK12120080

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/

Cullen corylifolium (#429560)

Magnoliopsida (#3398)

New chromenochalcone bavachromene from the seeds of Psoralea corylifolia,
Curr Sci, 1972

String Representations

InChiKey (Click to copy)

LYPURLGLYLCBSU-VMPITWQZSA-N

InChi (Click to copy)

InChI=1S/C20H18O4/c1-20(2)10-9-14-11-16(18(23)12-19(14)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-12,21,23H,1-2H3/b8-5+

SMILES (Click to copy)

C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=CC2OC(C)(C)C=CC=2C=1

Other Databases

METABOLOMICS ID

FL1C1ANP0005

PubChem CID

5321800

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

18th Dec 2025