Kaempferol
precursor
Showing entry for Kaempferol
Identification
- PhytoHub ID
- PHUB000672
- Name
- Kaempferol
- Systematic Name
- Not Available
- Synonyms
- 3,5,7,4'-Tetrahydroxyflavone
- CAS Number
- Not Available
- Average Mass
- 286.239
- Monoisotopic Mass
- 286.047738042
- Chemical Formula
- C15H10O6
- IUPAC Name
- 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
- InChI Key
- IYRMWMYZSQPJKC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
- SMILES
OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.78e-01 g/l
- LogS (ALOGPS)
- -3.21
- LogP (ALOGPS)
- 1.99
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 1
- Polar Surface Area
- 107.22000000000001
- Refractivity
- 74.8813
- Polarizability
- 27.58839078559376
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.921626650503836
- pKa (strongest acidic)
- 6.3798758258778765
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 28499
- PubChem
- 5280863
- Chemistry Dashboard
- DTXSID7020768
- KNApSAcK
- C00004565
- MetaboLights
- MTBLC28499
- Phenol-Explorer
- 290
- FooDB (Compounds)
- FDB000633
- Exposome Explorer
- 20
- PeakForestCompound
- 000528
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavonols
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", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Polyols", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "tetrahydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "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 |
---|---|---|---|
BML00260 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00267 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00274 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
BML81510 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
BML81511 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
CE000172 | MassBank | LC-ESI-ITFT Spectrum - 35eV, unspecified | View Spectra |
CE000173 | MassBank | LC-ESI-ITFT Spectrum - 45eV, unspecified | View Spectra |
CE000174 | MassBank | LC-ESI-ITFT Spectrum - 55eV, unspecified | View Spectra |
CE000175 | MassBank | LC-ESI-ITFT Spectrum - -, unspecified | View Spectra |
JP000687 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
ML004501 | MassBank | LC-ESI-ITFT Spectrum - 50 % (nominal), unspecified | View Spectra |
OUF00285 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PB000164 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB000165 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
PB000166 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
PB000167 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
PB004121 | MassBank | LC-ESI-QQ Spectrum - 25 eV, unspecified | View Spectra |
PB004122 | MassBank | LC-ESI-QQ Spectrum - 30 eV, unspecified | View Spectra |
PB004123 | MassBank | LC-ESI-QQ Spectrum - 35 eV, unspecified | View Spectra |
PB004141 | MassBank | LC-ESI-QQ Spectrum - 30 eV, unspecified | View Spectra |
PB004142 | MassBank | LC-ESI-QQ Spectrum - 35 eV, unspecified | View Spectra |
PB004143 | MassBank | LC-ESI-QQ Spectrum - 40 eV, unspecified | View Spectra |
PB005702 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
PB005703 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB005704 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
PB005705 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
PB005706 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
PR040026 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]- | View Spectra |
PR040027 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M-H]- | View Spectra |
PR040028 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M+H]+ | View Spectra |
PR040029 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+ | View Spectra |
PR100228 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100641 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PS040201 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS040202 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS040203 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS040204 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
TY000225 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Acerola | Fruit, Tropical fruits | Publications | Show | |
Black tea | Teas and herbal teas | Publications | Show | |
Broccoli | Vegetables, Cabbages | Publications | Show | |
Common cabbage | Vegetables, Cabbages | Publications | Show | |
Onion | Vegetables, Onion-family | Publications | Show |
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kaempferol | Kaempferol 3-O-glucuronide | human | plasma, urine | gut microbiota metabolite | 1h-3h | 50-200 nmol/L | 10-30% | C21H18O12 | 462.07982602 | Publications | |||
Kaempferol | Kaempferol 3-glucuronide | human | plasma, urine | Not Available | Not Available | Not Available | Not Available | C21H18O12 | 462.07982602 | Publications | |||
Cranberry flavonols | Kaempferol | human | plasma | unknown | 8h-12h | Not Available | Not Available | C15H10O6 | 286.047738042 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
---|