precursor metabolite

Showing entry for Eriodictyol

Identification

PhytoHub ID
PHUB000378
Name
Eriodictyol
Synonyms
  • 5,7,3',4'-Tetrahydroxyflavanone
CAS Number
Not Available
Average Mass
288.255
Monoisotopic Mass
288.063388106
Chemical Formula
C15H12O6
IUPAC Name
eriodictyol
InChI Key
SBHXYTNGIZCORC-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
SMILES
OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=C(O)C=C1
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
3.66e-01 g/l
LogS (ALOGPS)
-2.90
LogP (ALOGPS)
2.15
Hydrogen Acceptors
6
Hydrogen Donors
4
Rotatable Bond Count
1
Polar Surface Area
107.22000000000001
Refractivity
73.27069999999999
Polarizability
28.21958679194387
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.950235552435861
pKa (strongest acidic)
7.847641206936137
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

Record IDSourceDescriptionView
PR040011MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]-View Spectra
PR040012MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [2M-H]-View Spectra
PR040013MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040014MassBankLC-ESI-QTOF Spectrum - 30 eV, [2M-H]-View Spectra
PR040015MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040016MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PR100226MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100639MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS039801ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS039802ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS039803ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS039804ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS039805ReSpectN/A Spectrum - 50, [M+H]+View Spectra
PS039807ReSpectN/A Spectrum - 10, [M-H]-View Spectra
PS039808ReSpectN/A Spectrum - 20, [M-H]-View Spectra
PS039809ReSpectN/A Spectrum - 30, [M-H]-View Spectra
PS039810ReSpectN/A Spectrum - 40, [M-H]-View Spectra
PS039811ReSpectN/A Spectrum - 50, [M-H]-View Spectra
PS039812ReSpectN/A Spectrum - 60, [M-H]-View Spectra

Food Sources

PrecursorFood SourceFood Source Group
HesperetinLemonFruit, CitrusShow
HesperetinLimeFruit, CitrusShow
HesperetinOrange juiceBeverages, Non-alcoholicShow
HesperetinSweet orangeFruit, CitrusShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Eriodictyol Hesperetinratplasma, urineC16H14O6302.079038171 Publications
Eriodictyol Dihydrocaffeic acidin vitro (human) raturineC9H10O4182.057908808 Publications
Eriodictyol Dihydrocaffeic acid glucuronideraturineC15H18O10358.3021714 Publications
Eriodictyol Eriodictyol 7-O-glucuronidehuman raturine (major)C21H20O12464.095476084 Publications
Eriodictyol Hesperetin glucuronideraturineC22H22O12478.4099437 Publications
Eriodictyol HomoeriodictyolraturineC16H14O6302.07903818 Publications
Eriodictyol Homoeriodictyol glucuronideraturineC22H22O12478.4099437 Publications
Eriodictyol Phloroglucinolin vitro (human)Not AvailableC6H6O3126.031694058 Publications
Hesperetin Eriodictyolin vitro (pig)Not AvailableC15H12O6288.063388106 Publications
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