Structure Database (LMSD)

Systematic Name
7,2',4',5'-Tetramethoxyflavone
Synonyms
LM ID
LMPK12110054
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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/
Calliandra californica (#247896)
Magnoliopsida (#3398)
Two new flavones from Calliandra californica.,
J Nat Prod, 1994
Pubmed ID: 7798967

String Representations

InChiKey (Click to copy)
WNAGNQBPWYEERY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-11-5-6-12-14(20)9-17(25-16(12)7-11)13-8-18(23-3)19(24-4)10-15(13)22-2/h5-10H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(OC)=CC(OC)=C(OC)C=3)=CC(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FL3F1LNS0001
PubChem CID
9974636

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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Created at
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Updated at
21st Apr 2022