PhytoHub: Showing entry for Piceid (trans-)

Piceid (trans-)

Identification

PhytoHub ID

PHUB000325

Name

Piceid (trans-)

Systematic Name

Not Available

Synonyms

Polydatin
Resveratrol 3-O-glucoside

CAS Number

Not Available

Average Mass

390.388

Monoisotopic Mass

390.131467668

Chemical Formula

C₂₀H₂₂O₈

IUPAC Name

(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI Key

HSTZMXCBWJGKHG-CUYWLFDKSA-N

InChI Identifier

InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

SMILES

OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 7.66e-01 g/l
LogS (ALOGPS): -2.71
LogP (ALOGPS): 0.65
Hydrogen Acceptors: 8
Hydrogen Donors: 6
Rotatable Bond Count: 5
Polar Surface Area: 139.84
Refractivity: 99.5999
Polarizability: 39.81077696913084
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.981092343730565
pKa (strongest acidic): 8.602215116349766
Number of Rings: 3
Rule of Five: No
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 76155
ChEBI: 8198

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Stilbenes
Sub-class: Not Available

Taxonomy as Metabolite

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

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Resveratrol (trans-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical
Piceid (trans-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical

Spectra from Phytohub

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	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View
No data available in table

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Food Sources

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Name	Group
Almond	Nuts	Publications	Show
Apple	Fruit, Pomes	Publications	Show
Beer	Beverages, Alcoholic	Publications	Show
Chocolate	Cocoa and cocoa products	Publications	Show
Cocoa liquor	Cocoa and cocoa products	Publications	Show
Garden rhubarb	Vegetables, Other vegetables	Publications	Show
Itadori tea	Teas and herbal teas	Publications	Show
Lentil coat	Pulses and beans	Publications	Show
Lingonberry	Fruit, Berries	Publications	Show
Peanut	Nuts	Publications	Show

Showing 1 to 10 of 19 entries

Food Sources of its Food Phytochemical(s)

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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

Showing 1 to 10 of 55 entries

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

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Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion
Piceid (trans-)	Resveratrol (trans-)	in vitro (human) in vitro (rat) rat zebrafish	Caco-2 cells, gut microbiota, plasma, urine	host metabolism	Not Available	Not Available	Not Available	Publications
Piceid (trans-)	Piceid (trans-)	human	plasma, urine	unchanged	1h-3h	<20 nmol/L	Not Available	Publications
Piceid (trans-)	Piceid (cis-)	zebrafish	Not Available	host metabolism	Not Available	Not Available	Not Available	Publications
Piceid (trans-)	Dihydro-resveratrol	in vitro (rat)	gut microbiota	gut microbiota metabolite	Not Available	Not Available	Not Available	Publications
Piceid (trans-)	trans-Resveratrol 3-O-glucuronide	human	plasma	host metabolism	5h-8h	50-200 nmol/L	Not Available	Publications
Piceid (trans-)	trans-Resveratrol 3-O-sulfate	human	LDL, plasma, urine	host metabolism	1h-3h	0.5-2µmol/L	Not Available	Publications
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	Publications
Piceid (trans-)	trans-resveratrol-5-O-glucuronide	in vitro (human)	liver	host metabolism	Not Available	Not Available	Not Available	Publications
Piceid (trans-)	trans-Resveratrol-4'-O-glucuronide	human in vitro (human)	Caco-2 cells, liver, plasma, urine	host metabolism	5h-8h	50-200 nmol/L	Not Available	Publications
Piceid (trans-)	trans-Resveratrol-3,5-disulfate	human	plasma, urine	host metabolism	8h-12h	0.5-2µmol/L	Not Available	Publications

Showing 1 to 10 of 17 entries

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
No data available in table

Back

Showing entry for Piceid (trans-)

Identification

Structure for Piceid (trans-)

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Taxonomy as Metabolite

Taxonomy of its Food Phytochemical Precursor(s)

Spectra from Phytohub

Food Sources

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism