Structure Database (LMSD)

Systematic Name
3,5-Dimethoxy-6,7-methylenedioxyflavone
Synonyms
LM ID
LMPK12112811
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)
FMGYNNLSADZXSW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O6/c1-20-17-13-11(8-12-16(17)23-9-22-12)24-15(18(21-2)14(13)19)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
SMILES (Click to copy)
C12OCOC1=C(OC)C1C(=O)C(OC)=C(C3C=CC=CC=3)OC=1C=2

Other Databases

CHEBI ID
196323
METABOLOMICS ID
FL5FE9NS0010
PubChem CID
477645

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 87.25

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Updated at
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