Structure Database (LMSD)

Common Name
Gnaphaliin
Systematic Name
5,7-Dihydroxy-3,8-dimethoxyflavone
Synonyms
  • 3-O-Methyl-8-methoxygalangin
LM ID
LMPK12113093
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
OWQLBLNRUZULFV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=CC=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0030544
CHEBI ID
168044
METABOLOMICS ID
FL5FF9NS0006
PubChem CID
9972910

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 264.50
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.79
Molar Refractivity 84.46

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Updated at
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