Structure Database (LMSD)

Systematic Name
6,3'-Dimethoxyflavone
Synonyms
LM ID
LMPK12110103
Formula
C17H14O4
Exact Mass
Calculate m/z
282.08921
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)
LLLIKVGWTVPYAL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3
SMILES (Click to copy)
C1=CC2OC(C3C=C(OC)C=CC=3)=CC(=O)C=2C=C1OC

Other Databases

CHEBI ID
107657
METABOLOMICS ID
FL3F99NS0007
PubChem CID
676293

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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