Structure Database (LMSD)

Systematic Name
4',5,7,8-Tetramethoxyflavone
Synonyms
  • 6-Demethoxytangeritin
LM ID
LMPK12111369
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
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)
DDGJUTBQQURRGE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(22-2)10-16(23-3)18(24-4)19(17)25-14/h5-10H,1-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(OC)=CC=3)OC=1C(OC)=C(OC)C=C2OC

Other Databases

METABOLOMICS ID
FL3FFANS0009
PubChem CID
629964

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 299.10
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.39
Molar Refractivity 94.24

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