LIPID MAPS

Structure Database (LMSD)

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Common Name

Isoformononetin

Systematic Name

3-(4-Hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Synonyms

LM ID

LMPK12050039

Formula

C₁₆H₁₂O₄

Exact Mass

Calculate m/z

268.07356

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/

Glycine max (#3847)

Magnoliopsida (#3398)

Inducibly-formed isoflavonoids from leaves of soybean,
Phytochemistry, 1981

DOI: 10.1016/0031-9422(81)85177-1

String Representations

InChiKey (Click to copy)

LNIQZRIHAMVRJA-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3

SMILES (Click to copy)

C1(OC)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1

Other Databases

KEGG ID

C12125

HMDB ID

HMDB0033994

CHEBI ID

29608

METABOLOMICS ID

FLIA1ANS0003

PubChem CID

3764

PDB ID

HMO

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 3

Aromatic Rings 3

Rotatable Bonds 2

Van der Waals Molecular Volume 229.62

Topological Polar Surface Area 59.67

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 4.07

Molar Refractivity 76.24

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Created at

Updated at

7th Aug 2025