Structure Database (LMSD)

Systematic Name
5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
Synonyms
LM ID
LMPK12111277
Formula
C20H18O8
Exact Mass
Calculate m/z
386.10017
Status
Curated
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)
RDZNHJODRABSNK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O8/c1-22-14-5-10(6-15(23-2)18(14)24-3)12-7-11(21)17-13(28-12)8-16-19(20(17)25-4)27-9-26-16/h5-8H,9H2,1-4H3
SMILES (Click to copy)
C12OCOC1=C(OC)C1C(=O)C=C(C3C=C(OC)C(OC)=C(OC)C=3)OC=1C=2

Other Databases

METABOLOMICS ID
FL3FEGNS0011
PubChem CID
14704647

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 321.62
Topological Polar Surface Area 89.73
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 4.12
Molar Refractivity 100.36

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Updated at
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