Structure Database (LMSD)

Systematic Name
3,7-Dimethoxyflavone
Synonyms
LM ID
LMPK12111546
Formula
C17H14O4
Exact Mass
Calculate m/z
282.08921
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/

String Representations

InChiKey (Click to copy)
CNDZOPXQZSXGSK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O4/c1-19-12-8-9-13-14(10-12)21-16(17(20-2)15(13)18)11-6-4-3-5-7-11/h3-10H,1-2H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=CC=CC=3)OC=1C=C(OC)C=C2

Other Databases

CHEBI ID
114184
METABOLOMICS ID
FL5F19NS0002
PubChem CID
688664

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 246.92
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.38
Molar Refractivity 81.13

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Updated at
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