Quercetin
precursor
Showing entry for Quercetin
Identification
- PhytoHub ID
- PHUB000702
- Name
- Quercetin
- Systematic Name
- Not Available
- 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
- 302.238
- Monoisotopic Mass
- 302.042652662
- Chemical Formula
- C15H10O7
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
- 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=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
- Structure
Structure for Quercetin
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
- 28.51357629445238
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.9896446830151295
- pKa (strongest acidic)
- 6.379031589669055
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 5280343
- ChEBI
- 16243
- Chemistry Dashboard
- DTXSID4021218
- KNApSAcK
- C00004631
- MetaboLights
- MTBLC16243
- Phenol-Explorer
- 291
- FooDB (Compounds)
- FDB011904
- Exposome Explorer
- 2
- mzCloud
- 27
- PeakForestCompound
- 000554
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavonols
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Flavonoid metabolites
- Metabolite Sub-class
- Flavonols (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Rutin | Polyphenols | Flavonoids | Flavonols | Show Food Phytochemical |
| Quercetin | Polyphenols | Flavonoids | Flavonols | Show Food Phytochemical |
| Isoquercitrin | Polyphenols | Flavonoids | Flavonols | Show Food Phytochemical |
| Quercetin 4'-O-glucoside | Polyphenols | Flavonoids | Flavonols | Show Food Phytochemical |
| Onion flavonols | Polyphenols | Flavonoids | Flavonols | Show Food Phytochemical |
| Cranberry flavonols | Polyphenols | Flavonoids | Flavonols | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavones
- Direct Parent Name
- Flavonols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Catechols", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Polyols", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "pentahydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechol", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Polyol", "Pyran", "Pyranone", "Vinylogous acid"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| BML00143 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
| BML01862 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
| BML82025 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
| BML82026 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
| CE000168 | MassBank | LC-ESI-ITFT Spectrum - 35eV, unspecified | View Spectra |
| CE000169 | MassBank | LC-ESI-ITFT Spectrum - 45eV, unspecified | View Spectra |
| CE000170 | MassBank | LC-ESI-ITFT Spectrum - 55eV, unspecified | View Spectra |
| CE000171 | MassBank | LC-ESI-ITFT Spectrum - -, unspecified | View Spectra |
| FIO00272 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| FIO00273 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| FIO00274 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| FIO00275 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| FIO00276 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
| FIO00277 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| FIO00278 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| FIO00279 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| FIO00280 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| FIO00281 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
| ML005401 | MassBank | LC-ESI-ITFT Spectrum - 50 % (nominal), unspecified | View Spectra |
| PB000181 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
| PB000201 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
| PB000202 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| PB000221 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
| PB002409 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
| PB002410 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
| PB002411 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| PB002412 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
| PB004083 | MassBank | LC-ESI-QQ Spectrum - 25 eV, unspecified | View Spectra |
| PB004084 | MassBank | LC-ESI-QQ Spectrum - 30 eV, unspecified | View Spectra |
| PB004085 | MassBank | LC-ESI-QQ Spectrum - 35 eV, unspecified | View Spectra |
| PB004101 | MassBank | LC-ESI-QQ Spectrum - 20 eV, unspecified | View Spectra |
| PB004102 | MassBank | LC-ESI-QQ Spectrum - 25 eV, unspecified | View Spectra |
| PB004103 | MassBank | LC-ESI-QQ Spectrum - 30 eV, unspecified | View Spectra |
| PB006204 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| PB006205 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
| PB006206 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| PR040049 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]- | View Spectra |
| PR040050 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [2M-H]- | View Spectra |
| PR040051 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M-H]- | View Spectra |
| PR040052 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [2M-H]- | View Spectra |
| PR040053 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M+H]+ | View Spectra |
| PR040054 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+ | View Spectra |
| PR100233 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR100646 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PS040901 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
| PS040902 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
| PS040903 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
| PS040907 | ReSpect | N/A Spectrum - 10, [M-H]- | View Spectra |
| PS040908 | ReSpect | N/A Spectrum - 20, [M-H]- | View Spectra |
| TY000164 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| TY000165 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| TY000166 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Spectra from Phytohub
|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Acerola | Fruit, Tropical fruits | Publications | Show | |
| American cranberry | Fruit, Berries | Publications | Show | |
| Angelica | Herbs and Spices | Publications | Show | |
| Apple | Fruit, Pomes | Publications | Show | |
| Apple juice | Beverages, Non-alcoholic | Publications | Show | |
| Black tea | Teas and herbal teas | Publications | Show | |
| Blackberry | Fruit, Berries | Publications | Show | |
| Broccoli | Vegetables, Cabbages | Publications | Show | |
| Cherry tomato | Vegetables, Fruit vegetables | Publications | Show | |
| European cranberry | Fruit, Berries | Publications | Show | |
| Green tea | Teas and herbal teas | Publications | Show | |
| Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Onion | Vegetables, Onion-family | Publications | Show | |
| Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Parsnip | Vegetables, Root vegetables | Publications | Show | |
| Tomato | Vegetables, Fruit vegetables | Publications | Show |
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Quercetin | Benzoic acid | human | plasma, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C7H6O2 | 122.036779433 | Publications | |||
| Quercetin | Protocatechuic acid | in vitro (human) | duodenal juice | gut microbiota metabolite | Not Available | Not Available | Not Available | C7H6O4 | 154.026608673 | Publications | |||
| Quercetin | 3',4'-Dihydroxyphenylacetic acid | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C8H8O4 | 168.042258738 | Publications | |||
| Quercetin | 4-Ethylphenol | human | plasma, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C8H10O | 122.073164942 | Publications | |||
| Quercetin | 4'-Hydroxyphenylacetic acid | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C8H8O3 | 152.047344118 | Publications | |||
| Quercetin | Phloretic acid | human | urine | host metabolism | Not Available | Not Available | Not Available | C9H10O3 | 166.062994182 | Publications | |||
| Quercetin | Homovanillic acid | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C9H10O4 | 182.057908802 | Publications | |||
| Quercetin | Isorhamnetin | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C16H12O7 | 316.058302726 | Publications | |||
| Quercetin | Isorhamnetin 3-O-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C22H20O13 | 492.090390704 | Publications | |||
| Quercetin | Isorhamnetin 4'-O-glucoside | rat | serum | host metabolism | Not Available | Not Available | Not Available | C22H22O12 | 478.111126148 | Publications | |||
| Quercetin | Quercetin | human | plasma, urine | unchanged | 3h-5h | <20 nmol/L | 1-5% | C15H10O7 | 302.042652662 | Publications | |||
| Quercetin | Quercetin 3-O-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C21H18O13 | 478.07474064 | Publications | |||
| Quercetin | 3'-Hydroxyphenylacetic acid | human | Not Available | gut microbiota metabolite | Not Available | Not Available | Not Available | C8H8O3 | 152.047344118 | Publications | |||
| Quercetin | Phloroglucinol | in vitro (human) | duodenal juice | gut microbiota metabolite | Not Available | Not Available | Not Available | C6H6O3 | 126.031694053 | Publications | |||
| Quercetin | 2,4,6-Trihydroxybenzoic acid | in vitro (human) | duodenal juice | gut microbiota metabolite | Not Available | Not Available | Not Available | C7H6O5 | 170.021523293 | Publications | |||
| Quercetin | 2-Methoxyphenylacetic acid | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C9H10O3 | 166.062994182 | Publications | |||
| Quercetin | 4-Ethylbenzoic acid | human | plasma, urine | Not Available | Not Available | Not Available | Not Available | C9H10O2 | 150.068079562 | Publications | |||
| Quercetin | Isorhamnetin 7-O-glucuronide | in vitro (rat) | hepatocytes | host metabolism | Not Available | Not Available | Not Available | C22H20O13 | 492.090390704 | Publications | |||
| Quercetin | Quercetin 3'-O-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C21H18O13 | 478.07474064 | Publications | |||
| Quercetin | Quercetin 4'-O-glucuronide | human | urine | host metabolism | Not Available | Not Available | Not Available | C21H18O13 | 478.07474064 | Publications | |||
| Quercetin | Quercetin 7-O-glucuronide | human in vitro (rat) | hepatocytes, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C21H18O13 | 478.07474064 | Publications | |||
| Quercetin | Quercetin glucuronide | human | urine | host metabolism | Not Available | Not Available | Not Available | C21H18O13 | 478.3663081 | Publications | |||
| Quercetin | Tamarixetin | human | plasma, urine | gut microbiota metabolite | 5h-8h | 200-500 nmol/L | <1% | C16H14O7 | 318.073952791 | Publications | |||
| Quercetin | 3-Hydroxyhippuric acid | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C9H9NO4 | 195.053157774 | Publications | |||
| Quercetin | Quercetin diglucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C27H26O19 | Publications | ||||
| Quercetin | Methylquercetin diglucuronide | human | urine | host metabolism | Not Available | Not Available | Not Available | C28H28O19 | Publications | ||||
| Quercetin | Quercetin sulfo-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C21H18O16S | Publications | ||||
| Quercetin | Isorhamnetin 4'-O-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C22H20O13 | 492.090390704 | Publications | |||
| Quercetin | Quercetin 3'-O-sulfate | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C15H10O10S | 381.999467696 | Publications | |||
| Quercetin | Quercetin sulfate | human | plasma | host metabolism | Not Available | Not Available | Not Available | C15H10O10S | Publications | ||||
| Quercetin | 4-Hydroxyhippuric acid | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C9H9NO4 | 195.053157774 | Publications | |||
| Quercetin | Quercetin 7-O-sulfate | human | plasma | host metabolism | Not Available | Not Available | Not Available | C15H10O10S | 381.999467696 | Publications | |||
| Quercetin | Resorcinol glucuronide | human rat | plasma, serum, urine | host metabolism | 8h-12h | 200-500 nmol/L | <1% | C12H14O8 | 286.068867411 | Publications | |||
| Rutin | Quercetin | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C15H10O7 | 302.042652662 | Publications | |||
| Isoquercitrin | Quercetin | human | plasma, urine | host-gut microbiota co-metabolite | <1h | 2-5µmol/L | 1-5% | C15H10O7 | 302.042652662 | Publications | |||
| Quercetin 4'-O-glucoside | Quercetin | human | plasma, urine | host-gut microbiota co-metabolite | <1h | 2-5µmol/L | 1-5% | C15H10O7 | 302.042652662 | Publications | |||
| Onion flavonols | Quercetin | human | plasma, urine | unknown | <1h | 0.5-2µmol/L | Not Available | C15H10O7 | 302.042652662 | Publications | |||
| Cranberry flavonols | Quercetin | human | plasma, urine | unknown | 5h-8h | Not Available | Not Available | C15H10O7 | 302.042652662 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Quercetin | Quercetin | Age | No effect | Publications | ||
| Quercetin | Quercetin | Bmi | No effect | Publications | ||
| Quercetin | Quercetin | Genotype | Discordant | Publications | ||
| Quercetin | Quercetin | Sex | No effect | Publications |