Structure Database (LMSD)

Common Name
Kaempferol 3,5-dimethyl ether
Systematic Name
7,4'-Dihydroxy-3,5-dimethoxyflavone
Synonyms
LM ID
LMPK12112689
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
XMCNEMKKAQGVGK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-12-7-11(19)8-13-14(12)15(20)17(22-2)16(23-13)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL5FDANS0002
PubChem CID
10470863
NP-MRD ID(NMR)
NP0052862

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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