PhytoHub: Showing entry for Resveratrol (trans-)

Resveratrol (trans-)

Identification

PhytoHub ID

PHUB000324

Name

Resveratrol (trans-)

Systematic Name

Not Available

Synonyms

(E)-resveratrol
3,5,4'-Trihydroxystilbene

CAS Number

Not Available

Average Mass

228.247

Monoisotopic Mass

228.078644246

Chemical Formula

C₁₄H₁₂O₃

IUPAC Name

5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

InChI Key

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

InChI Identifier

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

SMILES

OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.88e-02 g/l
LogS (ALOGPS): -3.52
LogP (ALOGPS): 2.57
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 2
Polar Surface Area: 60.69
Refractivity: 67.45550000000001
Polarizability: 24.54619877509881
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -6.178025720766968
pKa (strongest acidic): 8.493489164415605
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

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
Piceid (trans-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical
Pinosylvin	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical
Resveratrol (trans-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Stilbenes
Super-class: Phenylpropanoids and polyketides
Sub-class: Not Available
Direct Parent Name: Stilbenes
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
External Descriptor Annotations: ["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "resveratrol"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]

Spectra from Phytohub

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Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View

GC-MS	GC-MS	Not Available	Not Available	View Spectrum
GC-MS	GC-MS	Not Available	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum

Showing 1 to 10 of 105 entries

Food Sources

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Name	Group
Apple juice	Beverages, Non-alcoholic	Publications	Show
Beer	Beverages, Alcoholic	Publications	Show
Bilberry	Fruit, Berries	Publications	Show
Black tea	Teas and herbal teas	Publications	Show
Blueberry	Fruit, Berries	Publications	Show
Camomile tea	Teas and herbal teas	Publications	Show
Ceylon tea	Teas and herbal teas	Publications	Show
Chocolate	Cocoa and cocoa products	Publications	Show
Cocoa liquor	Cocoa and cocoa products	Publications	Show
Coffee	Coffee and coffee products	Publications	Show

Showing 1 to 10 of 36 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 57 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
Pinosylvin	Resveratrol (trans-)	rat	plasma	host metabolism	Not Available	Not Available	Not Available	Publications
Resveratrol (trans-)	Piceatannol	in vitro (human)	lymphoblast	host metabolism	Not Available	Not Available	Not Available	Publications
Resveratrol (trans-)	Resveratrol (trans-)	human	plasma, serum	unchanged	1h-3h	0.5-2µmol/L	10-30%	Publications
Resveratrol (trans-)	Resveratrol (cis-)	pig zebrafish	blood, cerebellum, colon tissue, colorectal tissue, duodenum tissue, ileum tissue, jejunum tissue, LDL, plasma, stomach, urine	host metabolism	Not Available	Not Available	Not Available	Publications
Resveratrol (trans-)	Dihydro-resveratrol	B. uniformis - ATCC 8492 (in vitro) E. lenta - ATCC 43055 (in vitro) human in vitro (human) pig rat	colon tissue, colorectal tissue, feces, ileum tissue, liver, plasma, urine	gut microbiota metabolite	12h-24h	50-200 nmol/L	Not Available	Publications
Resveratrol (trans-)	trans-Resveratrol 3-O-glucuronide	human in vitro (human) in vitro (rat) mouse pig rat wolf zebrafish	adipose tissue, aorta tissue, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, hepatocytes, ileum tissue, kidneys, LDL, liver, plasma, stomach, urinary bladder, urine	host metabolism	1h-3h	200-500 nmol/L	Not Available	Publications
Resveratrol (trans-)	trans-Resveratrol 3-O-sulfate	B. bassiana - ATCC 9480 (in vitro) human in vitro (human) in vitro (rat) mouse P. chrysogenium - ATCC 9480 (in vitro) rat wolf	adipose tissue, colorectal tissue, feces, hepatocytes, kidneys, LDL, liver, plasma, urine	host metabolism	1h-3h	5-20 µmol/L	Not Available	Publications
Resveratrol (trans-)	Dihydro-resveratrol-3-O-glucuronide	pig	aorta tissue, bile, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, ileum tissue, jejunum tissue, kidneys, liver, lymph, lymphatic node, mesenteric fat, muscle, ovaries, perineal fat, plasma, spleen, stomach, subctuaneous fat, urine	gut microbiota metabolite	Not Available	Not Available	Not Available	Publications
Resveratrol (trans-)	Dihydro-resveratrol-3-O-sulfate	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	Publications

Showing 1 to 10 of 36 entries

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
No data available in table

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Showing entry for Resveratrol (trans-)

Identification

Structure for Resveratrol (trans-)

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Taxonomy as Metabolite

Taxonomy of its Food Phytochemical Precursor(s)

Classyfire Taxonomy

Spectra from Phytohub

Food Sources

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism