Identification

PhytoHub ID
PHUB002146
Name
5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide
Systematic Name
5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
384.337
Monoisotopic Mass
384.105646844
Chemical Formula
C17H20O10
IUPAC Name
Not Available
InChI Key
UVGDTVGPBRLMQY-ZGMZSDQWNA-N
InChI Identifier
InChI=1/C17H20O10/c18-9-3-1-7(5-8-2-4-11(19)25-8)6-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8-,12+,13+,14-,15+,17-/s2
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2O)O[C@@H]([C@H]1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Red Grape pomace Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC17H20O10384.105646844 Detailed Intervention Studies
Hazelnut Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h50-200 nmol/L5-10%C17H20O10384.105646844 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC17H20O10384.105646844 Detailed Intervention Studies
Cranberry Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC17H20O10384.105646844 Detailed Intervention Studies
Black tea Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h20-50 nmol/L1-5%C17H20O10384.105646844 Detailed Intervention Studies Publications
Almond Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC17H20O10384.105646844 Detailed Intervention Studies
(-)-Epicatechin 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h0.5-2µmol/L5-10%C17H20O10384.105646844 Detailed Intervention Studies Publications
(-)-Epigallocatechin 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h50-200 nmol/L1-5%C17H20O10384.105646844 Publications
Apple Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h50-200 nmol/L1-5%C17H20O10384.105646844 Publications
Green tea Flavan-3-ols 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronidehumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available1-5%C17H20O10384.105646844 Publications
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