metabolite

Showing entry for Tamarixetin

Identification

PhytoHub ID
PHUB001146
Name
Tamarixetin
Systematic Name
Not Available
Synonyms
  • 4'-O-Methyl quercetin
CAS Number
Not Available
Average Mass
318.281
Monoisotopic Mass
318.073952791
Chemical Formula
C16H14O7
IUPAC Name
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
KQNGHARGJDXHKF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H14O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3
SMILES
COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
7.47e-01 g/l
LogS (ALOGPS)
-2.63
LogP (ALOGPS)
1.32
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
2
Polar Surface Area
116.45000000000002
Refractivity
79.09120000000003
Polarizability
31.062657637728257
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.041072263405652
pKa (strongest acidic)
7.753962358114247
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
(Poly)phenol metabolites
Class
Flavonoid metabolites
Sub-class
Flavonols (parent and host metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Quercetin 4'-O-glucosidePolyphenolsFlavonoidsFlavonolsShow Food Phytochemical
QuercetinPolyphenolsFlavonoidsFlavonolsShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
QuercetinAcerolaFruit, Tropical fruits PublicationsShow
QuercetinAmerican cranberryFruit, Berries PublicationsShow
QuercetinAngelicaHerbs and Spices PublicationsShow
QuercetinAppleFruit, Pomes PublicationsShow
QuercetinApple juiceBeverages, Non-alcoholic PublicationsShow
QuercetinBlack teaTeas and herbal teas PublicationsShow
QuercetinBlackberryFruit, Berries PublicationsShow
QuercetinBroccoliVegetables, Cabbages PublicationsShow
QuercetinCherry tomatoVegetables, Fruit vegetables PublicationsShow
QuercetinEuropean cranberryFruit, Berries PublicationsShow
QuercetinGreen teaTeas and herbal teas PublicationsShow
QuercetinLettuceVegetables, Leaf vegetables PublicationsShow
Quercetin 4'-O-glucosideOnionVegetables, Onion-family PublicationsShow
QuercetinOnionVegetables, Onion-family PublicationsShow
QuercetinOrange juiceBeverages, Non-alcoholic PublicationsShow
QuercetinParsnipVegetables, Root vegetables PublicationsShow
QuercetinTomatoVegetables, Fruit vegetables PublicationsShow
Quercetin 4'-O-glucosidered onionVegetables, Onion-family PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Quercetin 4'-O-glucoside Tamarixetinhumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC16H14O7318.073952791 Publications
Quercetin Tamarixetinhumanplasma, urinegut microbiota metabolite5h-8h200-500 nmol/L<1%C16H14O7318.073952791 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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