PhytoHub: Showing entry for Dihydroisoferulic acid-3'-glucuronide

Dihydroisoferulic acid-3'-glucuronide

Identification

PhytoHub ID

PHUB001434

Name

Dihydroisoferulic acid-3'-glucuronide

Systematic Name

3-(4'-methoxyphenyl)propanoic acid-3'-glucuronide

Synonyms

3-(4-methoxyphenyl)propanoic acid-3-glucuronide
3-(4-methoxyphenyl)propionic acid-3-glucuronide
3-(4'-Methoxyphenyl)propionic acid-3'-O-glucuronide
Dihydroisoferulic acid-3'-glucuronide
Dihydroisoferulic acid-3'-O-glucuronide

CAS Number

1187945-72-7

Average Mass

372.326

Monoisotopic Mass

372.105646844

Chemical Formula

C₁₆H₂₀O₁₀

IUPAC Name

Not Available

InChI Key

SYLIYWIQUHQCPY-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H20O9/c1-7-2-3-8(4-5-10(17)18)6-9(7)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h2-3,6,11-14,16,19-21H,4-5H2,1H3,(H,17,18)(H,22,23)

SMILES

COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(CCC(O)=O)C=C1

Structure

Similar Structures

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

External Links

PubChem: 49844035

Taxonomy as Metabolite

Family: (Poly)phenol metabolites
Class: Phenolic acid metabolites
Sub-class: Phenylpropanoic acids

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Coffee hydroxycinnamates	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Hesperetin	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Caffeic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Orange flavanones	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Coffee Chlorogenic acids	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Yerba mate Chlorogenic acids	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Caffeic acid	American cranberry	Fruit, Berries	Publications	Show
Caffeic acid	Apple	Fruit, Pomes	Publications	Show
Caffeic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
Caffeic acid	Beer	Beverages, Alcoholic	Publications	Show
Caffeic acid	Blackberry	Fruit, Berries	Publications	Show
Caffeic acid	Blueberry	Fruit, Berries	Publications	Show
Caffeic acid	Broccoli	Vegetables, Cabbages	Publications	Show
Caffeic acid	Carrot	Vegetables, Root vegetables	Publications	Show
Caffeic acid	Cider	Beverages, Alcoholic	Publications	Show
Caffeic acid	Coffee	Coffee and coffee products	Publications	Show
Caffeic acid	Common wheat	Cereals and cereal products	Publications	Show
Caffeic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	European cranberry	Fruit, Berries	Publications	Show
Caffeic acid	European plum	Fruit, Drupes	Publications	Show
Hesperetin	Lemon	Fruit, Citrus		Show
Hesperetin	Lime	Fruit, Citrus		Show
Caffeic acid	Mate	Teas and herbal teas	Publications	Show
Caffeic acid	Olive, black	Fruit, Drupes	Publications	Show
Caffeic acid	Olive, green	Fruit, Drupes	Publications	Show
Hesperetin	Orange juice	Beverages, Non-alcoholic		Show
Caffeic acid	Pear	Fruit, Pomes	Publications	Show
Caffeic acid	Strawberry	Fruit, Berries	Publications	Show
Caffeic acid	Sweet cherry	Fruit, Drupes	Publications	Show
Hesperetin	Sweet orange	Fruit, Citrus		Show
Caffeic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	White wine grape	Fruit, Berries	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
Coffee hydroxycinnamates	Dihydroisoferulic acid-3'-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₆H₂₀O₁₀	372.105646844		Publications
Hesperetin	Dihydroisoferulic acid-3'-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₁₆H₂₀O₁₀	372.105646844		Publications
Caffeic acid	Dihydroisoferulic acid-3'-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₆H₂₀O₁₀	372.105646844		Publications
Orange flavanones	Dihydroisoferulic acid-3'-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	<20 nmol/L	1-5%	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications
Coffee Chlorogenic acids	Dihydroisoferulic acid-3'-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	20-50 nmol/L	<1%	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications
Yerba mate Chlorogenic acids	Dihydroisoferulic acid-3'-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	20-50 nmol/L	<1%	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
	Coffee Chlorogenic acids		Dihydroisoferulic acid-3'-glucuronide	Microbiota	Effect, clusters	Publications

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Showing entry for Dihydroisoferulic acid-3'-glucuronide