LIPID MAPS

Structure Database (LMSD)

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Common Name

Podospicatin

Systematic Name

5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone

Synonyms

LM ID

LMPK12050363

Formula

C₁₇H₁₄O₇

Exact Mass

Calculate m/z

330.073955

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/

Prumnopitys taxifolia (#56903)

Pinopsida (#58019)

Chemistry of the podocarpaceae—I: Constituents of the heartwood of Podocarpus spicatus,
Tetrahedron, 1959

DOI: 10.1016/0040-4020(59)85006-7

String Representations

InChiKey (Click to copy)

OJZJQMVCYJGFGG-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C17H14O7/c1-22-8-3-4-11(18)9(5-8)10-7-24-13-6-12(19)17(23-2)16(21)14(13)15(10)20/h3-7,18-19,21H,1-2H3

SMILES (Click to copy)

C1(O)=CC2OC=C(C3C=C(OC)C=CC=3O)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID

FLIAE8NS0003

PubChem CID

12314411

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 3

Aromatic Rings 3

Rotatable Bonds 3

Van der Waals Molecular Volume 273.29

Topological Polar Surface Area 109.36

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 3.49

Molar Refractivity 86.13

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Created at

Updated at

8th Aug 2025