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-WMHONMIKNA-N

InChI Identifier

InChI=1/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-/s2

SMILES

OC[[email protected]]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[[email protected]](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: Not Available
Metabolite Class: Not Available
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

Spectra from Online Resources

No spectra information available

Food Sources

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
Pistachio	Nuts	Publications	Show
Pomace	Fruit, Other fruits	Publications	Show
Red grape juice	Beverages, Non-alcoholic	Publications	Show
Red wine	Beverages, Alcoholic	Publications	Show
Rosé wine	Beverages, Alcoholic	Publications	Show
Strawberry	Fruit, Berries	Publications	Show
Tomato	Vegetables, Fruit vegetables	Publications	Show
White grape juice	Beverages, Non-alcoholic	Publications	Show
White wine	Beverages, Alcoholic	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Resveratrol (trans-)	Apple juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Beer	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Bilberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Black tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Blueberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Camomile tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Ceylon tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Chocolate	Cocoa and cocoa products	Publications	Show
Resveratrol (trans-)	Cocoa liquor	Cocoa and cocoa products	Publications	Show
Resveratrol (trans-)	Coffee	Coffee and coffee products	Publications	Show
Resveratrol (trans-)	Cranberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Cranberry juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Deerberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Dessert wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	European cranberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Green tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Itadori tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Lingonberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Mulberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Partridge berry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Peach juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Peanut	Nuts	Publications	Show
Resveratrol (trans-)	Pistachio	Nuts	Publications	Show
Resveratrol (trans-)	Pomace	Fruit, Other fruits	Publications	Show
Resveratrol (trans-)	Red champagne	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Red grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Red tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Red wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Red wine grape	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Rosé wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Sparkleberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Tilia tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Tomato	Vegetables, Fruit vegetables	Publications	Show
Resveratrol (trans-)	White grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	White wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	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
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	C₁₄H₁₂O₃	228.078644246	Publications
Piceid (trans-)	Piceid (cis-)	zebrafish	Not Available	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₂O₈	390.131467668	Publications
Piceid (trans-)	Dihydro-resveratrol	in vitro (rat)	gut microbiota	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₄H₁₄O₃	230.094294311	Publications
Piceid (trans-)	trans-Resveratrol 3-O-sulfate	human	LDL, plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	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	C₂₀H₂₀O₉	404.110732224	Publications
Piceid (trans-)	trans-resveratrol-5-O-glucuronide	in vitro (human)	liver	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Piceid (trans-)	trans-Resveratrol-4′-O-glucuronide	human in vitro (human)	Caco-2 cells, liver, plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Piceid (trans-)	trans-Resveratrol-3,5-disulfate	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₉S₂	387.992274314	Publications
Piceid (trans-)	trans-Resveratrol-3,4′-disulfate	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₉S₂	387.992274314	Publications
Piceid (trans-)	Piceid-glucuronide	rat	urine	host metabolism	Not Available	Not Available	Not Available	C₂₆H₃₀O₁₄	566.164
Piceid (trans-)	Piceid-sulfate	rat	urine	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₂O₁₁S	470.088	Publications
Piceid (trans-)	trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₂₆H₂₈O₁₅	580.142820202	Publications
Piceid (trans-)	trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₂₆H₂₈O₁₅	580.142820202	Publications
Piceid (trans-)	dihydro-piceid	in vitro (rat)	gut microbiota	gut microbiota metabolite	Not Available	Not Available	Not Available	C₂₀H₂₄O₈	392.147117733	Publications
Piceid (trans-)	resveratrol-sulfate	zebrafish	Not Available	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₆S	308.0355	Publications
Piceid (trans-)	Dihydro-resveratrol sulfate	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₄H₁₄O₆S	310.0511	Publications
Resveratrol (trans-)	Piceid (trans-)	A. denitrificans - NCTR 774 (in vitro) B. cereus - NCTR 466 (in vitro) E. coli - ATCC 47004 (in vitro) human zebrafish	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₂O₈	390.131467668	Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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Showing entry for Piceid (trans-)