Identification

PhytoHub ID
PHUB000672
Name
Kaempferol
Synonyms
  • 3,5,7,4'-Tetrahydroxyflavone
CAS Number
Not Available
Average Mass
286.2363
Monoisotopic Mass
286.047738052
Chemical Formula
C15H10O6
IUPAC Name
kaempferol
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(O1)C=C(O)C=C2O
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
27.594716193157314
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.9216266505038364
pKa (strongest acidic)
6.3798758258778765
FreewebChemaxon powered

Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra

Record IDSourceDescriptionView
BML00260MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00267MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00274MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML81510MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML81511MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
CE000172MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
CE000173MassBankLC-ESI-ITFT Spectrum - 45eV, unspecifiedView Spectra
CE000174MassBankLC-ESI-ITFT Spectrum - 55eV, unspecifiedView Spectra
CE000175MassBankLC-ESI-ITFT Spectrum - -, unspecifiedView Spectra
JP000687MassBankEI-B Spectrum - -, [M]+*View Spectra
ML004501MassBankLC-ESI-ITFT Spectrum - 50 % (nominal), unspecifiedView Spectra
OUF00285MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PB000164MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB000165MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB000166MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
PB000167MassBankLC-ESI-QTOF Spectrum - 55 eV, unspecifiedView Spectra
PB004121MassBankLC-ESI-QQ Spectrum - 25 eV, unspecifiedView Spectra
PB004122MassBankLC-ESI-QQ Spectrum - 30 eV, unspecifiedView Spectra
PB004123MassBankLC-ESI-QQ Spectrum - 35 eV, unspecifiedView Spectra
PB004141MassBankLC-ESI-QQ Spectrum - 30 eV, unspecifiedView Spectra
PB004142MassBankLC-ESI-QQ Spectrum - 35 eV, unspecifiedView Spectra
PB004143MassBankLC-ESI-QQ Spectrum - 40 eV, unspecifiedView Spectra
PB005702MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
PB005703MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB005704MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
PB005705MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB005706MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
PR040026MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]-View Spectra
PR040027MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040028MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040029MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PR100228MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100641MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS040201ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS040202ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS040203ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS040204ReSpectN/A Spectrum - 40, [M+H]+View Spectra
TY000225MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
Black teaTeas and herbal teas PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
Common cabbageVegetables, Cabbages PublicationsShow
OnionVegetables, Onion-family PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Kaempferol Kaempferol 3-glucuronidehumanplasma, urineC21H18O12462.07982602 Publications
Back