Structure Database (LMSD)

Systematic Name
5,7,2',5'-tetramethoxyflavone
Synonyms
LM ID
LMPK12110133
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
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)
LIOJFJYPMYGQFI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-11-5-6-15(23-3)13(7-11)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-10H,1-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(OC)C=CC=3OC)OC=1C=C(OC)C=C2OC

Other Databases

METABOLOMICS ID
FL3FA8NS0009
PubChem CID
44257616

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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Updated at
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