Identification

PhytoHub ID
PHUB000694
Name
Myricetin
Synonyms
  • 3,5,7,3',4',5'-Hexahydroxyflavone
CAS Number
Not Available
Average Mass
318.2351
Monoisotopic Mass
318.037567296
Chemical Formula
C15H10O8
IUPAC Name
myricetin
InChI Key
IKMDFBPHZNJCSN-UHFFFAOYSA-N
InChI Identifier
InChI=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
SMILES
OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.01e-01 g/l
LogS (ALOGPS)
-3.02
LogP (ALOGPS)
1.66
Hydrogen Acceptors
8
Hydrogen Donors
6
Rotatable Bond Count
1
Polar Surface Area
147.68
Refractivity
78.8431
Polarizability
29.4723151682491
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.050760199655586
pKa (strongest acidic)
6.433059029268736
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra

Record IDSourceDescriptionView
BML81720MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML81721MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
FIO00185MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00186MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00187MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00188MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00189MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
FIO00190MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00191MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00192MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00193MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00194MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
OUF00360MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR040037MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]-View Spectra
PR040038MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040039MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040040MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PS040601ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS040602ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS040603ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS040604ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS040607ReSpectN/A Spectrum - 10, [M-H]-View Spectra
PS040608ReSpectN/A Spectrum - 20, [M-H]-View Spectra
PS040609ReSpectN/A Spectrum - 30, [M-H]-View Spectra
PS040610ReSpectN/A Spectrum - 40, [M-H]-View Spectra
TY000149MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra
TY000150MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
American cranberryFruit, Berries PublicationsShow
Black teaTeas and herbal teasShow
BlackberryFruit, Berries PublicationsShow
BlackcurrantFruit, BerriesShow
BroccoliVegetables, CabbagesShow
Common beanPulses and beansShow
Common cabbageVegetables, CabbagesShow
European cranberryFruit, Berries PublicationsShow
Red wineBeverages, AlcoholicShow
StrawberryFruit, Berries PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Myricetin Myricetin 3-O-glucuronideNot AvailableNot AvailableC21H18O14494.069655284
Myricetin Myricetin 5-O-glucuronideNot AvailableNot AvailableC21H18O14494.06965526
Myricetin Myricetin 7-O-glucuronideNot AvailableNot AvailableC21H18O14494.06965526
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