Structure Database (LMSD)

Common Name
Scutellarein 5,6,7,4'-tetramethyl ether
Systematic Name
5,6,7,4'-Tetramethoxyflavone
Synonyms
  • 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
LM ID
LMPK12111167
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/

String Representations

InChiKey (Click to copy)
URSUMOWUGDXZHU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(OC)=C1OC

Other Databases

KEGG ID
C14472
HMDB ID
HMDB0030575
CHEBI ID
34357
METABOLOMICS ID
FL3FEANS0009
PubChem CID
96118

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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