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

resveratrol

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

External Links

ChEBI: 45713
PubChem: 445154
Chemistry Dashboard: DTXSID4031980
MetaboLights: MTBLC45713
FooDB (Foods): FDB031212
HMDB: HMDB0003747
KNApSAcK: C00002903

Taxonomy as Precursor

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 Precursor(s)

Precursor	Family	Class	Sub-class
Piceid (trans-)	Polyphenols	Stilbenes	Not Available	Show Precursor
Pinosylvin	Polyphenols	Stilbenes	Not Available	Show Precursor

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

Record ID	Source	Description	View
BML00641	MassBank	LC-ESI-QTOF Spectrum - 10 ev, unspecified	View Spectra
BML00673	MassBank	LC-ESI-QTOF Spectrum - 10 ev, unspecified	View Spectra
BML00681	MassBank	LC-ESI-QTOF Spectrum - 20 ev, unspecified	View Spectra
BML00689	MassBank	LC-ESI-QTOF Spectrum - 40 ev, unspecified	View Spectra
BML82055	MassBank	LC-ESI-QTOF Spectrum - -, unspecified	View Spectra
BML82056	MassBank	LC-ESI-QTOF Spectrum - -, unspecified	View Spectra
CE000093	MassBank	LC-ESI-ITFT Spectrum - 35eV, unspecified	View Spectra
CE000094	MassBank	LC-ESI-ITFT Spectrum - 45eV, unspecified	View Spectra
CE000095	MassBank	LC-ESI-ITFT Spectrum - 55eV, unspecified	View Spectra
CE000096	MassBank	LC-ESI-ITFT Spectrum - 70eV, unspecified	View Spectra
CE000097	MassBank	LC-ESI-ITFT Spectrum - -, unspecified	View Spectra
PB000641	MassBank	LC-ESI-QTOF Spectrum - 15 eV, unspecified	View Spectra
PB000642	MassBank	LC-ESI-QTOF Spectrum - 25 eV, unspecified	View Spectra
PB000643	MassBank	LC-ESI-QTOF Spectrum - 40 eV, unspecified	View Spectra
PB000661	MassBank	LC-ESI-QTOF Spectrum - 55 eV, unspecified	View Spectra
PB002421	MassBank	LC-ESI-QTOF Spectrum - 15 eV, unspecified	View Spectra
PB002422	MassBank	LC-ESI-QTOF Spectrum - 25 eV, unspecified	View Spectra
PB002423	MassBank	LC-ESI-QTOF Spectrum - 40 eV, unspecified	View Spectra
PB002424	MassBank	LC-ESI-QTOF Spectrum - 55 eV, unspecified	View Spectra
PB003661	MassBank	LC-ESI-QQ Spectrum - 20 eV, unspecified	View Spectra
PB003662	MassBank	LC-ESI-QQ Spectrum - 25 eV, unspecified	View Spectra
PB006261	MassBank	LC-ESI-QTOF Spectrum - 10 eV, unspecified	View Spectra
PB006262	MassBank	LC-ESI-QTOF Spectrum - 15 eV, unspecified	View Spectra
PB006263	MassBank	LC-ESI-QTOF Spectrum - 20 eV, unspecified	View Spectra

Food Sources

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
Cranberry	Fruit, Berries	Publications	Show
Cranberry juice	Beverages, Non-alcoholic	Publications	Show
Deerberry	Fruit, Berries	Publications	Show
Dessert wine	Beverages, Alcoholic	Publications	Show
European cranberry	Fruit, Berries	Publications	Show
Green tea	Teas and herbal teas	Publications	Show
Itadori tea	Teas and herbal teas	Publications	Show
Lingonberry	Fruit, Berries	Publications	Show
Mulberry	Fruit, Berries	Publications	Show
Partridge berry	Fruit, Berries	Publications	Show
Peach juice	Beverages, Non-alcoholic	Publications	Show
Peanut	Nuts	Publications	Show
Pistachio	Nuts	Publications	Show
Pomace	Fruit, Other fruits	Publications	Show
Red champagne	Beverages, Alcoholic	Publications	Show
Red grape juice	Beverages, Non-alcoholic	Publications	Show
Red tea	Teas and herbal teas	Publications	Show
Red wine	Beverages, Alcoholic	Publications	Show
Red wine grape	Fruit, Berries	Publications	Show
Rosé wine	Beverages, Alcoholic	Publications	Show
Sparkleberry	Fruit, Berries	Publications	Show
Tilia tea	Teas and herbal teas	Publications	Show
Tomato	Vegetables, Fruit vegetables	Publications	Show
White grape juice	Beverages, Non-alcoholic	Publications	Show
White wine	Beverages, Alcoholic	Publications	Show
White wine grape	Fruit, Berries	Publications	Show

Precursor	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
Pinosylvin	Grape	Fruit, Berries	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
Pinosylvin	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

Metabolism

Precursor	Metabolite	Species	Biofluids	Origin	TMax	CMax	Formula	Monoisotopic mass
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	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224	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, faeces, hepatocytes, kidneys, LDL, liver, plasma, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	Publications
Resveratrol (trans-)	trans-resveratrol-5-O-glucuronide	rat	urine	host metabolism	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Resveratrol (trans-)	trans-Resveratrol-4′-O-glucuronide	human pig zebrafish	colorectal tissue, LDL, plasma, urine	host metabolism	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Resveratrol (trans-)	resveratrol-4′-O-sulfate	human rat	adipose tissue, colorectal tissue, faeces, liver, plasma, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	Publications
Resveratrol (trans-)	resveratrol sulfoglucuronide	human pig	bile, cerebellum, colorectal tissue, duodenum tissue, ileum tissue, jejunum tissue, kidneys, liver, ovaries, pancreas, plasma, stomach, urine	host metabolism	Not Available	Not Available	C₂₀H₂₀O₁₂S	484.068	Publications
Resveratrol (trans-)	trans-Resveratrol-3,5-disulfate	rat	faeces, plasma, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₉S₂	387.992274314	Publications
Resveratrol (trans-)	trans-Resveratrol-3,4′-disulfate	rat	faeces, liver, plasma, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₉S₂	387.992274314	Publications
Resveratrol (trans-)	trans-Resveratrol-3,4′,5-trisulfate	pig rat	bile, cerebellum, duodenum tissue, heart, ileum tissue, jejunum tissue, liver, lungs, ovaries, perineal fat, plasma, stomach, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₁₂S₃	467.949089348	Publications
Resveratrol (trans-)	5-methoxyresveratrol-3-O-β-glucoside	B. bassiana - ATCC 9480 (in vitro)	Not Available	host metabolism	Not Available	Not Available	C₂₁H₂₄O₈	404.147117733	Publications
Resveratrol (trans-)	5-methoxyresveratrol-3-O-sulphate	P. chrysogenium - ATCC 9480 (in vitro)	Not Available	host metabolism	Not Available	Not Available	C₁₅H₁₄O₆S	322.051109345	Publications
Resveratrol (trans-)	Resveratrol-glucoside-phosphate-glycerol	B. cereus - NCTR 466 (in vitro)	Not Available	host metabolism	Not Available	Not Available	C₂₃H₂₉O₁₃P	544.134577992	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	C₂₀H₂₂O₈	390.131467668	Publications
Resveratrol (trans-)	Piceid-glucuronide	human	plasma, urine	host metabolism	Not Available	Not Available	C₂₆H₃₀O₁₄	566.164	Publications
Resveratrol (trans-)	Piceid-sulfate	human	plasma, urine	host metabolism	Not Available	Not Available	C₂₀H₂₂O₁₁S	470.088	Publications
Resveratrol (trans-)	resveratrol-glucoside-phosphate	B. cereus - NCTR 466 (in vitro) K. pneumoniae - ATCC 13883 (in vitro)	Not Available	host metabolism	Not Available	Not Available	C₂₀H₂₃O₁₁P	470.097798559	Publications
Resveratrol (trans-)	Lunularine	human in vitro (human) rat	faeces, urine	gut microbiota metabolite	Not Available	Not Available	C₁₄H₁₄O₂	214.099379691	Publications
Resveratrol (trans-)	3,4'-dihydroxy-trans-stilbene	human in vitro (human)	faeces, urine	gut microbiota metabolite	Not Available	Not Available	C₁₄H₁₂O₂	212.083729626	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	C₁₄H₁₂O₃	228.078644246	Publications
Resveratrol (trans-)	cis-Resveratrol-3-sulfate	human rat	adipose tissue, LDL, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	Publications
Resveratrol (trans-)	cis-Resveratrol-4'-sulfate	human	LDL, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	Publications
Resveratrol (trans-)	cis-Resveratrol-3-O-glucuronide	human in vitro (human)	hepatocytes, LDL, plasma, urine	host metabolism	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Resveratrol (trans-)	cis-Resveratrol-4'-O-glucuronide	human rat	LDL, liver, plasma, urine	host metabolism	Not Available	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Resveratrol (trans-)	Resveratroloside	A. denitrificans - NCTR 774 (in vitro) B. cereus - NCTR 466 (in vitro) E. coli - ATCC 47004 (in vitro) human	LDL	host metabolism	Not Available	Not Available	C₂₀H₂₂O₈	390.131467668	Publications
Resveratrol (trans-)	Piceatannol	in vitro (human)	lymphoblast	host metabolism	Not Available	Not Available	C₁₄H₁₂O₄	244.073558866	Publications
Resveratrol (trans-)	Dihydro-resveratrol-trisulfate	pig	bile, ileum tissue, jejunum tissue, urine	host metabolism	Not Available	Not Available	C₁₄H₁₄O₁₂S₃	469.965	Publications
Resveratrol (trans-)	trans-resveratrol-4'-O-β-sulfate	human	LDL, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	Publications
Resveratrol (trans-)	Resveratrol disulfate	human pig	bile, colorectal tissue, plasma, urine	host metabolism	Not Available	Not Available	C₁₄H₁₂O₉S₂	387.992	Publications
Resveratrol (trans-)	Resveratrol ribosyl sulfate	pig	bile, ileum tissue, urine	host metabolism	Not Available	Not Available	C₁₉H₂₀O₁₀S	440.078	Publications
Resveratrol (trans-)	resveratrol glucuronide	pig rat	bile, duodenum tissue, ileum tissue, jejunum tissue, kidneys, liver, lungs, plasma, testis, urine	host metabolism	Not Available	Not Available	C₂₀H₂₀O₉	404.111	Publications
Resveratrol (trans-)	resveratrol sulfate	human pig rat zebrafish	aorta tissue, bile, brain, cerebellum, cerebrospinal fluid, colon tissue, colorectal tissue, duodenum tissue, heart, ileum tissue, intestine, jejunum tissue, kidneys, liver, lungs, lymph, lymphatic node, mesenteric fat, muscle, ovaries, pancreas, perineal fat, plasma, red blood cells, spleen, stomach, subctuaneous fat, testis, urinary bladder, urine, uterus, white blood cells	host metabolism	Not Available	Not Available	C₁₄H₁₂O₆S	308.035	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	C₂₀H₂₂O₉	406.126382288	Publications
Resveratrol (trans-)	Dihydro-resveratrol-glucuronide	human rat	adipose tissue, liver, urine	gut microbiota metabolite	Not Available	Not Available	C₂₀H₂₂O₉	406.1264	Publications
Resveratrol (trans-)	Dihydro-resveratrol-3,5-diglucuronide	pig	urine	gut microbiota metabolite	Not Available	Not Available	C₂₆H₃₀O₁₅	582.158470266	Publications
Resveratrol (trans-)	Dihydro-resveratrol sulfate	human pig rat	adipose tissue, aorta tissue, bile, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, ileum tissue, jejunum tissue, kidneys, liver, lungs, lymph, lymphatic node, mesenteric fat, muscle, ovaries, perineal fat, plasma, red blood cells, spleen, stomach, urinary bladder, urine	gut microbiota metabolite	Not Available	Not Available	C₁₄H₁₄O₆S	310.0511	Publications
Resveratrol (trans-)	Dihydro-resveratrol-sulfoglucuronide	pig	bile, jejunum tissue, liver, pancreas, uterus	gut microbiota metabolite	Not Available	Not Available	C₂₀H₂₂O₁₂S	486.083	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, faeces, ileum tissue, liver, plasma, urine	gut microbiota metabolite	Not Available	Not Available	C₁₄H₁₄O₃	230.094294311	Publications
Resveratrol (trans-)	Dihydro-resveratrol-disulfate	pig	bile, urine	gut microbiota metabolite	Not Available	Not Available	C₁₄H₁₄O₉S₂	390.007924379	Publications
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	C₁₄H₁₂O₃	228.078644246	Publications
Pinosylvin	Resveratrol (trans-)	rat	plasma	host metabolism	Not Available	Not Available	C₁₄H₁₂O₃	228.078644246	Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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Showing entry for Resveratrol (trans-)