PhytoHub: Showing entry for resveratrol-3-O-glucuronide

resveratrol-3-O-glucuronide

Identification

PhytoHub ID

PHUB001481

Name

resveratrol-3-O-glucuronide

Systematic Name

Not Available

Synonyms

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]oxane-2-car
trans-resveratrol-3-O-β-D-glucuronide

CAS Number

Not Available

Average Mass

404.371

Monoisotopic Mass

404.110732224

Chemical Formula

C₂₀H₂₀O₉

IUPAC Name

3,4,5-trihydroxy-6-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid

InChI Key

QWSAYEBSTMCFKY-OWOJBTEDSA-N

InChI Identifier

InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+

SMILES

[H]\C(=C(\[H])C1=CC(O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 8.29e-01 g/l
LogS (ALOGPS): -2.69
LogP (ALOGPS): 1.31
Hydrogen Acceptors: 9
Hydrogen Donors: 6
Rotatable Bond Count: 5
Polar Surface Area: 156.90999999999997
Refractivity: 99.46729999999998
Polarizability: 39.91111517508056
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.6868267715644625
pKa (strongest acidic): 3.135361544264777
Number of Rings: 3
Rule of Five: No
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Metabolite

Family: (Poly)phenol metabolites
Class: Stilbene metabolites
Sub-class: Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Piceid (trans-)	Polyphenols	Stilbenes	Not Available	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
Piceid (trans-)	Almond	Nuts	Publications	Show
Piceid (trans-)	Apple	Fruit, Pomes	Publications	Show
Piceid (trans-)	Beer	Beverages, Alcoholic	Publications	Show
Piceid (trans-)	Chocolate	Cocoa and cocoa products	Publications	Show
Piceid (trans-)	Cocoa liquor	Cocoa and cocoa products	Publications	Show
Piceid (trans-)	Garden rhubarb	Vegetables, Other vegetables	Publications	Show
Piceid (trans-)	Itadori tea	Teas and herbal teas	Publications	Show
Piceid (trans-)	Lentil coat	Pulses and beans	Publications	Show
Piceid (trans-)	Lingonberry	Fruit, Berries	Publications	Show
Piceid (trans-)	Peanut	Nuts	Publications	Show
Piceid (trans-)	Pistachio	Nuts	Publications	Show
Piceid (trans-)	Pomace	Fruit, Other fruits	Publications	Show
Piceid (trans-)	Red grape juice	Beverages, Non-alcoholic	Publications	Show
Piceid (trans-)	Red wine	Beverages, Alcoholic	Publications	Show
Piceid (trans-)	Rosé wine	Beverages, Alcoholic	Publications	Show
Piceid (trans-)	Strawberry	Fruit, Berries	Publications	Show
Piceid (trans-)	Tomato	Vegetables, Fruit vegetables	Publications	Show
Piceid (trans-)	White grape juice	Beverages, Non-alcoholic	Publications	Show
Piceid (trans-)	White wine	Beverages, Alcoholic	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
	Piceid (trans-)		resveratrol-3-O-glucuronide	human in vitro (human) rat zebrafish	Caco-2 cells, plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for resveratrol-3-O-glucuronide