precursor metabolite

Showing entry for Dihydro-resveratrol

Identification

PhytoHub ID
PHUB001323
Name
Dihydro-resveratrol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
230.263
Monoisotopic Mass
230.094294311
Chemical Formula
C14H14O3
IUPAC Name
5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
InChI Key
HITJFUSPLYBJPE-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
SMILES
OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.12e-02 g/l
LogS (ALOGPS)
-3.45
LogP (ALOGPS)
2.45
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
60.69
Refractivity
66.33890000000001
Polarizability
24.844332473856483
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.442613297531203
pKa (strongest acidic)
9.30352527101386
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 PhytochemicalFamilyClassSub-class
Piceid (trans-)PolyphenolsStilbenesNot AvailableShow Food Phytochemical
Resveratrol (trans-)PolyphenolsStilbenesNot AvailableShow 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", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols"]
External Descriptor Annotations
["Bibenzyls", "Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "stilbenol"]
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"]

Spectra from Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0adi-3920000000-719fe242334d208b9ba62017-07-27View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 10V, positivesplash10-0019-0930000000-98789a2bfadb2e5294f92020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 30V, positivesplash10-0a4i-3900000000-8401a4b05cec11937e912020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 50V, positivesplash10-0a4i-1900000000-63077beabbd74f9667da2020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 6V, positivesplash10-0019-0930000000-d89311ce59a12d10e3502020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 10V, negativesplash10-00fr-0940000000-e764d7f7fec0ad95522d2020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 10V, negativesplash10-004i-0590000000-c0d04f560a51a3bb619d2020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 30V, negativesplash10-001i-9500000000-361c896f8255aa9a4a1d2020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 30V, negativesplash10-00di-3900000000-71299800417044263bbb2020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 50V, negativesplash10-001i-9000000000-35af2f10fc300befdb212020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 50V, negativesplash10-003r-9100000000-ac6d40eae4eba92c915d2020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 6V, negativesplash10-004i-0590000000-c0d04f560a51a3bb619d2020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF 6V, negativesplash10-00fr-0940000000-ef1a37528e823253c1b32020-07-21View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 6V, Positivesplash10-0019-0930000000-5350f748bb4caf143bc62021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 10V, Positivesplash10-001i-0490000000-ad670ae9686c694e73c12021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-0a4i-3900000000-e4d975cfe5ed55a80b232021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 50V, Negativesplash10-00ar-5930000000-21f41106079ae20bf0962021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-0a4i-3900000000-1d5073ba2d9174c455dd2021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 10V, Positivesplash10-053i-0940000000-ac0deac644455c15b41c2021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 50V, Positivesplash10-0a4i-1900000000-6510d3485dd518836d052021-09-20View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0190000000-dbff90b6a63d99897a082017-06-28View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-053r-0950000000-1f3064cc04762cbfb39f2017-06-28View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a6r-5900000000-e5b4f11464b84f6190ef2017-06-28View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0090000000-3f1af4fc1138d28d1e8f2017-06-28View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0190000000-b3b2e29cac9a8f7c4f142017-06-28View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0553-1920000000-bc1898e08955e5b6385a2017-06-28View Spectrum

Food Sources

NameGroup
Red wineBeverages, Alcoholic PublicationsShow
White wineBeverages, Alcoholic PublicationsShow

Food Sources of its Food Phytochemical(s)

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

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Dihydro-resveratrol Dihydro-resveratrol-3-O-glucuronideNot AvailableNot Availablehost metabolismNot AvailableNot AvailableNot AvailableC20H22O9406.126382288
Dihydro-resveratrol Dihydro-resveratrol-3-O-sulfateNot AvailableNot Availablehost metabolismNot AvailableNot AvailableNot AvailableC14H14O6S310.051109345
Dihydro-resveratrol Dihydro-resveratrol sulfateratplasmahost metabolismNot AvailableNot AvailableNot AvailableC14H14O6S 310.0511 Publications
Dihydro-resveratrol Dihydro-resveratrol-glucuronideratplasmahost metabolismNot AvailableNot AvailableNot AvailableC20H22O9 406.1264 Publications
Piceid (trans-) Dihydro-resveratrolin vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC14H14O3230.094294311 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, feces, ileum tissue, liver, plasma, urinegut microbiota metabolite12h-24h50-200 nmol/LNot AvailableC14H14O3230.094294311 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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