LIPID MAPS

Structure Database (LMSD)

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Common Name

Obovatin

Systematic Name

5-Hydroxy-6",6"-dimethylpyrano[2",3":7,8]flavanone

Synonyms

LM ID

LMPK12140208

Formula

C₂₀H₁₈O₄

Exact Mass

Calculate m/z

322.12051

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Tephrosia obovata (#185973)

Magnoliopsida (#3398)

Obovatin, Obovatin Methyl Ether and Obovatachalcone, New Piscicidal Flavonoids from Tephrosia obovata,
Agric Biol Chem, 1978

DOI: 10.1080/00021369.1978.10863380

String Representations

InChiKey (Click to copy)

VYVZELWVPQMZDE-INIZCTEOSA-N

InChi (Click to copy)

InChI=1S/C20H18O4/c1-20(2)9-8-13-17(24-20)11-15(22)18-14(21)10-16(23-19(13)18)12-6-4-3-5-7-12/h3-9,11,16,22H,10H2,1-2H3/t16-/m0/s1

SMILES (Click to copy)

C1C2OC(C)(C)C=CC=2C2O[C@H](C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID

68376

METABOLOMICS ID

FL2FA9NP0003

PubChem CID

13940733

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 4

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 297.36

Topological Polar Surface Area 59.90

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 4.57

Molar Refractivity 91.12

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Created at

Updated at

21st Oct 2026