Record Information
Version1.0
Creation date2015-10-09 22:33:07 UTC
Update date2017-01-19 02:36:39 UTC
FoodComEx IDPC000863
FoodDB RecordFDB012724
Chemical Information
NameMyricetin
DescriptionMyricetin, also known as cannabiscetin or myricetol, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, myricetin is considered to be a flavonoid lipid molecule. A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. Myricetin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Myricetin is found, on average, in the highest concentration within a few different foods, such as common walnuts, carobs, and fennels and in a lower concentration in welsh onions, yellow bell peppers, and jutes. Myricetin has also been detected, but not quantified in, several different foods, such as napa cabbages, sesames, mixed nuts, lichee, and garden cress. This could make myricetin a potential biomarker for the consumption of these foods.
CAS Number529-44-2
Structure
Thumb
Synonyms
SynonymSource
3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-onebiospider
3,3',4',5,5',7-Hexahydroxy-(8ci)- flavoneHMDB
3,3',4',5,5',7-HexahydroxyflavoneChEBI
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 9CIdb_source
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-onebiospider
3,5,7,3',4',5'-hexahydroxyflavonebiospider
3',4',5,5',7-Pentahydroxyflavonoldb_source
Cannabiscetindb_source
Flavone, 3,3',4',5,5',7-hexahydroxy-biospider
Myricetindb_source
Myricetoldb_source
Myricitinbiospider
Chemical FormulaC15H10O8
IUPAC name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
InChI IdentifierInChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChI KeyIKMDFBPHZNJCSN-UHFFFAOYSA-N
Isomeric SMILESOC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
Average Molecular Weight318.2351
Monoisotopic Molecular Weight318.037567296
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavones
Direct ParentFlavonols
Alternative Parents
Substituents
  • 3-hydroxyflavone
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Benzenetriol
  • Pyrogallol derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Benzenoid
  • Monocyclic benzene moiety
  • Pyran
  • Heteroaromatic compound
  • Vinylogous acid
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 357-360° dec.DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 10 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci J10595
AKSci V0305
AKSci HMDB0002755
Cayman Chemical 10012600
Glentham GL5441
MetaSci HMDB0002755
Toronto Research Chemicals M884100