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 Phytohub

Spectrum TypeInstrument TypeTechnologyIon ModeCollision EnergyView
Predicted GC-MSGC-MSPredicted by CFMID-EI, energy0PositiveNot AvailableView Spectrum
Predicted GC-MSGC-MSPredicted by CFMID-EI, energy0EiNot AvailableView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+H]+ original_collision_energy 10 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarypositive10VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+H]+ original_collision_energy 30 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarypositive30VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+H]+ original_collision_energy 50 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarypositive50VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+H]+ original_collision_energy 6V CannabisDB spectra from MoNa 2020 June LC, Waters Acquity UPLC System; MS, Waters Xevo G2 Q-Tof MassBankpositive6VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M-H]- original_collision_energy 10 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarynegative10VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+FA-H]- original_collision_energy 10 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarynegative10VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M-H]- original_collision_energy 30 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarynegative30VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+FA-H]- original_collision_energy 30 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarynegative30VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+FA-H]- original_collision_energy 50 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarynegative50VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M-H]- original_collision_energy 50 eV CannabisDB spectra from MoNa 2020 June Waters Xevo G2 Q-Tof RIKEN PlaSMA Authentic Standard Librarynegative50VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M+HCOO]- original_collision_energy 6V CannabisDB spectra from MoNa 2020 June LC, Waters Acquity UPLC System; MS, Waters Xevo G2 Q-Tof MassBanknegative6VView Spectrum
LC-MS/MSLC-ESI-QTOFadduct_type [M-H]- original_collision_energy 6V CannabisDB spectra from MoNa 2020 June LC, Waters Acquity UPLC System; MS, Waters Xevo G2 Q-Tof MassBanknegative6VView Spectrum
LC-MS/MSNot AvailableNot AvailablePositive6VView Spectrum
LC-MS/MSNot AvailableNot AvailablePositive10VView Spectrum
LC-MS/MSNot AvailableNot AvailablePositive30VView Spectrum
LC-MS/MSNot AvailableNot AvailableNegative50VView Spectrum
LC-MS/MSNot AvailableNot AvailablePositive30VView Spectrum
LC-MS/MSNot AvailableNot AvailablePositive10VView Spectrum
LC-MS/MSNot AvailableNot AvailablePositive50VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDPositive10VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDPositive20VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDPositive40VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDNegative10VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDNegative20VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDNegative40VView 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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