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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:43 UTC
Update Date2022-03-07 02:52:36 UTC
HMDB IDHMDB0030575
Secondary Accession Numbers
  • HMDB30575
Metabolite Identification
Common NameTetramethylscutellarein
DescriptionTetramethylscutellarein, also known as 4',5,6,7-tetramethoxyflavone or 5-methoxysalvigenin, belongs to the class of organic compounds known as 7-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, tetramethylscutellarein is considered to be a flavonoid lipid molecule. Tetramethylscutellarein is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, tetramethylscutellarein is found, on average, in the highest concentration within sweet oranges. Tetramethylscutellarein has also been detected, but not quantified, in herbs, spices, tea. This could make tetramethylscutellarein a potential biomarker for the consumption of these foods. Tetramethylscutellarein is isolated from Salvia officinalis (sage) leaves.
Structure
Thumb
Synonyms
Chemical FormulaC19H18O6
Average Molecular Weight342.3426
Monoisotopic Molecular Weight342.110338308
IUPAC Name5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Traditional Name4',5,6,7-tetramethoxyflavone
CAS Registry Number1168-42-9
SMILES
COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1
InChI Identifier
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
InChI KeyURSUMOWUGDXZHU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassO-methylated flavonoids
Direct Parent7-O-methylated flavonoids
Alternative Parents
Substituents
  • 4p-methoxyflavonoid-skeleton
  • 5-methoxyflavonoid-skeleton
  • 6-methoxyflavonoid-skeleton
  • 7-methoxyflavonoid-skeleton
  • Flavone
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Phenoxy compound
  • Methoxybenzene
  • Anisole
  • Phenol ether
  • Pyranone
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous ester
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point166 - 167 °CNot Available
Boiling Point525.70 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility15.52 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP3.260 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID244
FooDB IDFDB002465
KNApSAcK IDC00003841
Chemspider ID86762
KEGG Compound IDC14472
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound96118
PDB IDNot Available
ChEBI ID34357
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1698851
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .