Structure Database (LMSD)

Common Name
Strobochrysin
Systematic Name
5,7-Dihydroxy-6-methylflavone
Synonyms
  • 5,7-Dihydroxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one
LM ID
LMPK12110170
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

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Pinus strobus (#3348)
Pinopsida (#58019)
Constituents of Pine Heartwood. XXIV. Investigations on Strobopinin, Cryptostrobin, and Two New Substances, Strobobanksin and Strobochrysin, from the Heartwood of Pinus strobus L.,
Acta Chem Scand, 1951

String Representations

InChiKey (Click to copy)
XRJWLVUOUWIPHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
193244
METABOLOMICS ID
FL3FA9NM0001
PubChem CID
11536318

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.08
Molar Refractivity 76.09

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Created at
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Updated at
15th Sep 2026