LIPID MAPS

Structure Database (LMSD)

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Systematic Name

7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone

Synonyms

LM ID

LMPK12050138

Formula

C₂₂H₂₀O₆

Exact Mass

Calculate m/z

380.12599

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/

Calopogonium mucunoides (#132433)

Magnoliopsida (#3398)

Prenylated flavonoids from seeds of Calopogonium mucunoides,
Phytochemistry, 1982

DOI: 10.1016/S0031-9422(00)95305-6

String Representations

InChiKey (Click to copy)

ALIAPFPESXJZKP-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C22H20O6/c1-13(2)8-9-25-18-7-5-15-20(23)16(11-26-21(15)22(18)24-3)14-4-6-17-19(10-14)28-12-27-17/h4-8,10-11H,9,12H2,1-3H3

SMILES (Click to copy)

C1(OC/C=C(\C)/C)C=CC2C(=O)C(C3=CC4OCOC=4C=C3)=COC=2C=1OC

Other Databases

METABOLOMICS ID

FLIA3CNI0001

PubChem CID

44257261

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 4

Aromatic Rings 3

Rotatable Bonds 5

Van der Waals Molecular Volume 336.00

Topological Polar Surface Area 71.27

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 6

logP 5.73

Molar Refractivity 106.12

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Created at

Updated at

18th May 2025