LIPID MAPS

Structure Database (LMSD)

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Common Name

Dipteryxin

Systematic Name

7,8-Dihydroxy-6,4'-dimethoxyisoflavone

Synonyms

LM ID

LMPK12050150

Formula

C₁₇H₁₄O₆

Exact Mass

Calculate m/z

314.07904

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/

Dipteryx odorata (#53873)

Magnoliopsida (#3398)

Isoflavones from Dipteryx odorata,
Phytochemistry, 1974

DOI: 10.1016/0031-9422(74)85121-6

String Representations

InChiKey (Click to copy)

BSXFDHHTXOAUGB-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-8-23-17-11(14(12)18)7-13(22-2)15(19)16(17)20/h3-8,19-20H,1-2H3

SMILES (Click to copy)

C1(O)=C(O)C2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C=C1OC

Other Databases

HMDB ID

HMDB0132851

METABOLOMICS ID

FLIA4ANS0001

PubChem CID

44257265

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 3

Aromatic Rings 3

Rotatable Bonds 3

Van der Waals Molecular Volume 264.50

Topological Polar Surface Area 89.13

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 3.79

Molar Refractivity 84.46

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Created at

Updated at

1st Aug 2025