Identification

PhytoHub ID
PHUB000702
Name
Quercetin
Synonyms
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
  • 3,5,7,3',4'-Pentahydroxyflavone
  • Meletin
  • Quercetine
  • Quercetol
  • Sophoretin
CAS Number
117-39-5
Average Mass
302.2357
Monoisotopic Mass
302.042652674
Chemical Formula
C15H10O7
IUPAC Name
quercetin
InChI Key
REFJWTPEDVJJIY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILES
OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.61e-01 g/l
LogS (ALOGPS)
-3.06
LogP (ALOGPS)
1.81
Hydrogen Acceptors
7
Hydrogen Donors
5
Rotatable Bond Count
1
Polar Surface Area
127.45000000000002
Refractivity
76.8622
Polarizability
28.53520769784926
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.98964468301513
pKa (strongest acidic)
6.4401740887197505
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra

Record IDSourceDescriptionView
BML00143MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML01862MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML82025MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML82026MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
CE000168MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
CE000169MassBankLC-ESI-ITFT Spectrum - 45eV, unspecifiedView Spectra
CE000170MassBankLC-ESI-ITFT Spectrum - 55eV, unspecifiedView Spectra
CE000171MassBankLC-ESI-ITFT Spectrum - -, unspecifiedView Spectra
FIO00272MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00273MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00274MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00275MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00276MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
FIO00277MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00278MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00279MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00280MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00281MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
ML005401MassBankLC-ESI-ITFT Spectrum - 50 % (nominal), unspecifiedView Spectra
PB000181MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB000201MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB000202MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
PB000221MassBankLC-ESI-QTOF Spectrum - 55 eV, unspecifiedView Spectra
PB002409MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB002410MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB002411MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
PB002412MassBankLC-ESI-QTOF Spectrum - 55 eV, unspecifiedView Spectra
PB004083MassBankLC-ESI-QQ Spectrum - 25 eV, unspecifiedView Spectra
PB004084MassBankLC-ESI-QQ Spectrum - 30 eV, unspecifiedView Spectra
PB004085MassBankLC-ESI-QQ Spectrum - 35 eV, unspecifiedView Spectra
PB004101MassBankLC-ESI-QQ Spectrum - 20 eV, unspecifiedView Spectra
PB004102MassBankLC-ESI-QQ Spectrum - 25 eV, unspecifiedView Spectra
PB004103MassBankLC-ESI-QQ Spectrum - 30 eV, unspecifiedView Spectra
PB006204MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
PB006205MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB006206MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
PR040049MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]-View Spectra
PR040050MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [2M-H]-View Spectra
PR040051MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040052MassBankLC-ESI-QTOF Spectrum - 30 eV, [2M-H]-View Spectra
PR040053MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040054MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PR100233MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100646MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS040901ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS040902ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS040903ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS040907ReSpectN/A Spectrum - 10, [M-H]-View Spectra
PS040908ReSpectN/A Spectrum - 20, [M-H]-View Spectra
TY000164MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra
TY000165MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra
TY000166MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
American cranberryFruit, Berries PublicationsShow
AppleFruit, Pomes PublicationsShow
Apple juiceBeverages, Non-alcoholic PublicationsShow
Black teaTeas and herbal teas PublicationsShow
BlackberryFruit, Berries PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
Cherry tomatoVegetables, Fruit vegetables PublicationsShow
European cranberryFruit, Berries PublicationsShow
Green teaTeas and herbal teas PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
OnionVegetables, Onion-family PublicationsShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
ParsnipVegetables, Root vegetables PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
PrecursorFood SourceFood Source Group
RutinApple juiceBeverages, Non-alcoholic PublicationsShow
RutinApricotFruit, Drupes PublicationsShow
RutinAsparagusVegetables, Other vegetables PublicationsShow
RutinBlack teaTeas and herbal teas PublicationsShow
RutinBlackberryFruit, Berries PublicationsShow
RutinCherry tomatoVegetables, Fruit vegetables PublicationsShow
RutinGreen teaTeas and herbal teas PublicationsShow
RutinOlive, blackFruit, Drupes PublicationsShow
RutinSweet cherryFruit, Drupes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Quercetin Benzoic acidhumanplasma, urine Publications
Quercetin Protocatechuic acidin vitro (human)duodenal juice Publications
Quercetin 3',4'-Dihydroxyphenylacetic acidhumanurine Publications
Quercetin 4-Ethylphenolhumanplasma, urine Publications
Quercetin 4'-Hydroxyphenylacetic acidhumanurine Publications
Quercetin Dihydro-p-coumaric acidhumanurine Publications
Quercetin Homovanillic acidhumanurine Publications
Quercetin Isorhamnetinhumanplasma, urine Publications
Quercetin Isorhamnetin 3-O-glucuronidehumanplasma, urine Publications
Quercetin Quercetin 3-O-glucuronidehumanplasma, urine Publications
Quercetin 3'-Hydroxyphenylacetic acidhumanNot Available Publications
Quercetin Phloroglucinolin vitro (human)duodenal juice Publications
Quercetin 2,4,6-Trihydroxybenzoic acidin vitro (human)duodenal juice Publications
Quercetin 2-Methoxyphenylacetic acidhumanurine Publications
Quercetin 4-Ethylbenzoic acidhumanplasma, urine Publications
Quercetin Isorhamnetin 7-O-glucuronidein vitro (rat)hepatocytes Publications
Quercetin Quercetin 3'-O-glucuronidehumanplasma, urine Publications
Quercetin Quercetin 4'-O-glucuronidehumanurine Publications
Quercetin Quercetin 7-O-glucuronidehuman in vitro (rat)hepatocytes, plasma, urine Publications
Quercetin Quercetin glucuronidehumanurine Publications
Quercetin 3-Hydroxyhippuric acidhumanurine Publications
Quercetin Quercetin diglucuronidehumanplasma, urine Publications
Quercetin Methylquercetin diglucuronidehumanurine Publications
Quercetin Quercetin glucuronide sulfatehumanplasma, urine Publications
Quercetin Isorhamnetin 4'-O-glucuronidehumanplasma, urine Publications
Quercetin Quercetin 3'-O-sulfatehumanplasma, urine Publications
Quercetin Quercetin sulfatehumanplasma Publications
Quercetin 4-Hydroxyhippuric acidhumanurine Publications
Quercetin Quercetin 7-O-sulfatehumanplasma Publications
Rutin Quercetinhumanurine Publications
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