Structure Database (LMSD)

Common Name
Patuletin
Systematic Name
3,5,7,3',4'-Pentahydroxy-6-methoxyflavone
Synonyms
  • 6-Methoxyquercetin
LM ID
LMPK12112986
Formula
C16H12O8
Exact Mass
Calculate m/z
332.05322
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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/

String Representations

InChiKey (Click to copy)
JMIFIYIEXODVTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC

Other Databases

Wikipedia
Patuletin
KEGG ID
C10118
HMDB ID
HMDB0030802
CHEBI ID
75164
METABOLOMICS ID
FL5FECNS0005
PubChem CID
5281678

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 264.78
Topological Polar Surface Area 140.59
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.90
Molar Refractivity 82.90

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Updated at
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