Structure Database (LMSD)

Systematic Name
5,7-Dimethoxy-3',4'-methylenedioxyflavone
Synonyms
LM ID
LMPK12111073
Formula
C18H14O6
Exact Mass
Calculate m/z
326.07904
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)
MGZNLFNSCDJZGJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O6/c1-20-11-6-16(21-2)18-12(19)8-14(24-17(18)7-11)10-3-4-13-15(5-10)23-9-22-13/h3-8H,9H2,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC4OCOC=4C=3)OC=1C=C(OC)C=C2OC

Other Databases

CHEBI ID
196331
METABOLOMICS ID
FL3FDCNS0001
PubChem CID
11681403

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 269.44
Topological Polar Surface Area 71.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.11
Molar Refractivity 87.26

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Updated at
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