precursor metabolite

Showing entry for 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

Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

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 IDSourceDescriptionView
BML00641MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00673MassBankLC-ESI-QTOF Spectrum - 10 ev, unspecifiedView Spectra
BML00681MassBankLC-ESI-QTOF Spectrum - 20 ev, unspecifiedView Spectra
BML00689MassBankLC-ESI-QTOF Spectrum - 40 ev, unspecifiedView Spectra
BML82055MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML82056MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
CE000093MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
CE000094MassBankLC-ESI-ITFT Spectrum - 45eV, unspecifiedView Spectra
CE000095MassBankLC-ESI-ITFT Spectrum - 55eV, unspecifiedView Spectra
CE000096MassBankLC-ESI-ITFT Spectrum - 70eV, unspecifiedView Spectra
CE000097MassBankLC-ESI-ITFT Spectrum - -, unspecifiedView Spectra
PB000641MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB000642MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB000643MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
PB000661MassBankLC-ESI-QTOF Spectrum - 55 eV, unspecifiedView Spectra
PB002421MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB002422MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB002423MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
PB002424MassBankLC-ESI-QTOF Spectrum - 55 eV, unspecifiedView Spectra
PB003661MassBankLC-ESI-QQ Spectrum - 20 eV, unspecifiedView Spectra
PB003662MassBankLC-ESI-QQ Spectrum - 25 eV, unspecifiedView Spectra
PB006261MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
PB006262MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB006263MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra

Food Sources

NameGroup
Apple juiceBeverages, Non-alcoholic PublicationsShow
BeerBeverages, Alcoholic PublicationsShow
BilberryFruit, Berries PublicationsShow
Black teaTeas and herbal teas PublicationsShow
BlueberryFruit, Berries PublicationsShow
Camomile teaTeas and herbal teas PublicationsShow
Ceylon teaTeas and herbal teas PublicationsShow
ChocolateCocoa and cocoa products PublicationsShow
Cocoa liquorCocoa and cocoa products PublicationsShow
CoffeeCoffee and coffee products PublicationsShow
CranberryFruit, Berries PublicationsShow
Cranberry juiceBeverages, Non-alcoholic PublicationsShow
DeerberryFruit, Berries PublicationsShow
Dessert wineBeverages, Alcoholic PublicationsShow
European cranberryFruit, Berries PublicationsShow
Green teaTeas and herbal teas PublicationsShow
Itadori teaTeas and herbal teas PublicationsShow
LingonberryFruit, Berries PublicationsShow
MulberryFruit, Berries PublicationsShow
Partridge berryFruit, Berries PublicationsShow
Peach juiceBeverages, Non-alcoholic PublicationsShow
PeanutNuts PublicationsShow
PistachioNuts PublicationsShow
PomaceFruit, Other fruits PublicationsShow
Red champagneBeverages, Alcoholic PublicationsShow
Red grape juiceBeverages, Non-alcoholic PublicationsShow
Red teaTeas and herbal teas PublicationsShow
Red wineBeverages, Alcoholic PublicationsShow
Red wine grapeFruit, Berries PublicationsShow
Rosé wineBeverages, Alcoholic PublicationsShow
SparkleberryFruit, Berries PublicationsShow
Tilia teaTeas and herbal teas PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
White grape juiceBeverages, Non-alcoholic PublicationsShow
White wineBeverages, Alcoholic PublicationsShow
White wine grapeFruit, Berries PublicationsShow
PrecursorFood SourceFood Source Group
Piceid (trans-)AlmondNuts PublicationsShow
Piceid (trans-)AppleFruit, Pomes PublicationsShow
Piceid (trans-)BeerBeverages, Alcoholic PublicationsShow
Piceid (trans-)ChocolateCocoa and cocoa products PublicationsShow
Piceid (trans-)Cocoa liquorCocoa and cocoa products PublicationsShow
Piceid (trans-)Garden rhubarbVegetables, Other vegetables PublicationsShow
PinosylvinGrapeFruit, Berries PublicationsShow
Piceid (trans-)Itadori teaTeas and herbal teas PublicationsShow
Piceid (trans-)Lentil coatPulses and beans PublicationsShow
Piceid (trans-)LingonberryFruit, Berries PublicationsShow
Piceid (trans-)PeanutNuts PublicationsShow
PinosylvinPeanutNuts PublicationsShow
Piceid (trans-)PistachioNuts PublicationsShow
Piceid (trans-)PomaceFruit, Other fruits PublicationsShow
Piceid (trans-)Red grape juiceBeverages, Non-alcoholic PublicationsShow
Piceid (trans-)Red wineBeverages, Alcoholic PublicationsShow
Piceid (trans-)Rosé wineBeverages, Alcoholic PublicationsShow
Piceid (trans-)StrawberryFruit, Berries PublicationsShow
Piceid (trans-)TomatoVegetables, Fruit vegetables PublicationsShow
Piceid (trans-)White grape juiceBeverages, Non-alcoholic PublicationsShow
Piceid (trans-)White wineBeverages, Alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Resveratrol (trans-) Piceatannolin vitro (human)lymphoblasthost metabolismC14H12O4244.073558866 Publications
Resveratrol (trans-) Piceid (trans-)A. denitrificans - NCTR 774 (in vitro) B. cereus - NCTR 466 (in vitro) E. coli - ATCC 47004 (in vitro) human zebrafishplasma, urinehost metabolismC20H22O8390.131467668 Publications
Resveratrol (trans-) Resveratrol (cis-)pig zebrafishblood, cerebellum, colon tissue, colorectal tissue, duodenum tissue, ileum tissue, jejunum tissue, LDL, plasma, stomach, urinehost metabolismC14H12O3228.078644246 Publications
Resveratrol (trans-) Dihydro-resveratrolB. uniformis - ATCC 8492 (in vitro) E. lenta - ATCC 43055 (in vitro) human in vitro (human) pig ratcolon tissue, colorectal tissue, faeces, ileum tissue, liver, plasma, urinegut microbiota metaboliteC14H14O3230.094294311 Publications
Resveratrol (trans-) trans-Resveratrol 3-O-glucuronidehuman in vitro (human) in vitro (rat) mouse pig rat wolf zebrafishadipose tissue, aorta tissue, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, hepatocytes, ileum tissue, kidneys, LDL, liver, plasma, stomach, urinary bladder, urinehost metabolismC20H20O9404.110732224 Publications
Resveratrol (trans-) trans-Resveratrol 3-O-sulfateB. bassiana - ATCC 9480 (in vitro) human in vitro (human) in vitro (rat) mouse P. chrysogenium - ATCC 9480 (in vitro) rat wolfadipose tissue, colorectal tissue, faeces, hepatocytes, kidneys, LDL, liver, plasma, urinehost metabolismC14H12O6S308.03545928 Publications
Resveratrol (trans-) Dihydro-resveratrol-3-O-glucuronidepigaorta 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, urinegut microbiota metaboliteC20H22O9406.126382288 Publications
Resveratrol (trans-) trans-resveratrol-5-O-glucuronideraturinehost metabolismC20H20O9404.110732224 Publications
Resveratrol (trans-) trans-Resveratrol-4′-O-glucuronidehuman pig zebrafishcolorectal tissue, LDL, plasma, urinehost metabolismC20H20O9404.110732224 Publications
Resveratrol (trans-) resveratrol-4′-O-sulfatehuman ratadipose tissue, colorectal tissue, faeces, liver, plasma, urinehost metabolismC14H12O6S308.03545928 Publications
Resveratrol (trans-) resveratrol sulfoglucuronidehuman pigbile, cerebellum, colorectal tissue, duodenum tissue, ileum tissue, jejunum tissue, kidneys, liver, ovaries, pancreas, plasma, stomach, urinehost metabolismC20H20O12S484.068 Publications
Resveratrol (trans-) trans-Resveratrol-3,5-disulfateratfaeces, plasma, urinehost metabolismC14H12O9S2387.992274314 Publications
Resveratrol (trans-) trans-Resveratrol-3,4′-disulfateratfaeces, liver, plasma, urinehost metabolismC14H12O9S2387.992274314 Publications
Resveratrol (trans-) trans-Resveratrol-3,4′,5-trisulfatepig ratbile, cerebellum, duodenum tissue, heart, ileum tissue, jejunum tissue, liver, lungs, ovaries, perineal fat, plasma, stomach, urinehost metabolismC14H12O12S3467.949089348 Publications
Resveratrol (trans-) Dihydro-resveratrol-trisulfatepigbile, ileum tissue, jejunum tissue, urinehost metabolismC14H14O12S3469.965 Publications
Resveratrol (trans-) Resveratrol ribosyl sulfatepigbile, ileum tissue, urinehost metabolismC19H20O10S440.078 Publications
Resveratrol (trans-) Dihydro-resveratrol-3,5-diglucuronidepigurinegut microbiota metaboliteC26H30O15582.158470266 Publications
Resveratrol (trans-) Dihydro-resveratrol-sulfoglucuronidepigbile, jejunum tissue, liver, pancreas, uterusgut microbiota metaboliteC20H22O12S486.083 Publications
Resveratrol (trans-) 5-methoxyresveratrol-3-O-β-glucosideB. bassiana - ATCC 9480 (in vitro)Not Availablehost metabolismC21H24O8404.147117733 Publications
Resveratrol (trans-) 5-methoxyresveratrol-3-O-sulphateP. chrysogenium - ATCC 9480 (in vitro)Not Availablehost metabolismC15H14O6S322.051109345 Publications
Resveratrol (trans-) Dihydro-resveratrol-disulfatepigbile, urinegut microbiota metaboliteC14H14O9S2390.007924379 Publications
Resveratrol (trans-) Resveratrol-glucoside-phosphate-glycerolB. cereus - NCTR 466 (in vitro)Not Availablehost metabolismC23H29O13P544.134577992 Publications
Resveratrol (trans-) Piceid-glucuronidehumanplasma, urinehost metabolismC26H30O14566.164 Publications
Resveratrol (trans-) Piceid-sulfatehumanplasma, urinehost metabolismC20H22O11S470.088 Publications
Resveratrol (trans-) resveratrol-glucoside-phosphateB. cereus - NCTR 466 (in vitro) K. pneumoniae - ATCC 13883 (in vitro)Not Availablehost metabolismC20H23O11P470.097798559 Publications
Resveratrol (trans-) Lunularinehuman in vitro (human) ratfaeces, urinegut microbiota metaboliteC14H14O2214.099379691 Publications
Resveratrol (trans-) 3,4'-dihydroxy-trans-stilbenehuman in vitro (human)faeces, urinegut microbiota metaboliteC14H12O2212.083729626 Publications
Resveratrol (trans-) cis-Resveratrol-3-sulfatehuman ratadipose tissue, LDL, urinehost metabolismC14H12O6S308.03545928 Publications
Resveratrol (trans-) cis-Resveratrol-4'-sulfatehumanLDL, urinehost metabolismC14H12O6S308.03545928 Publications
Resveratrol (trans-) cis-Resveratrol-3-O-glucuronidehuman in vitro (human)hepatocytes, LDL, plasma, urinehost metabolismC20H20O9404.110732224 Publications
Resveratrol (trans-) cis-Resveratrol-4'-O-glucuronidehuman ratLDL, liver, plasma, urinehost metabolismC20H20O9404.110732224 Publications
Resveratrol (trans-) ResveratrolosideA. denitrificans - NCTR 774 (in vitro) B. cereus - NCTR 466 (in vitro) E. coli - ATCC 47004 (in vitro) humanLDLhost metabolismC20H22O8390.131467668 Publications
Resveratrol (trans-) Dihydro-resveratrol sulfatehuman pig ratadipose 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, urinegut microbiota metaboliteC14H14O6S 310.0511 Publications
Resveratrol (trans-) Dihydro-resveratrol-glucuronidehuman ratadipose tissue, liver, urinegut microbiota metaboliteC20H22O9 406.1264 Publications
Resveratrol (trans-) trans-resveratrol-4'-O-β-sulfatehumanLDL, urinehost metabolismC14H12O6S308.03545928 Publications
Resveratrol (trans-) Resveratrol disulfatehuman pigbile, colorectal tissue, plasma, urinehost metabolismC14H12O9S2387.992 Publications
Resveratrol (trans-) resveratrol glucuronidepig ratbile, duodenum tissue, ileum tissue, jejunum tissue, kidneys, liver, lungs, plasma, testis, urinehost metabolismC20H20O9 404.111 Publications
Resveratrol (trans-) resveratrol sulfatehuman pig rat zebrafishaorta 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 cellshost metabolismC14H12O6S 308.035 Publications
Piceid (trans-) Resveratrol (trans-)in vitro (human) in vitro (rat) rat zebrafishCaco-2 cells, gut microbiota, plasma, urinehost metabolismC14H12O3228.078644246 Publications
Pinosylvin Resveratrol (trans-)ratplasmahost metabolismC14H12O3228.078644246 Publications
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