Identification

PhytoHub ID
PHUB001501
Name
3,4'-dihydroxy-trans-stilbene
Systematic Name
Not Available
Synonyms
  • 3,4′-Dihydroxystilbene; 3-[(E)-2-(4-Hydroxyphenyl)vinyl]phenol; phenol, 3-[(E)-2-(4-hydroxyphenyl)et
CAS Number
Not Available
Average Mass
212.248
Monoisotopic Mass
212.083729626
Chemical Formula
C14H12O2
IUPAC Name
4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenol
InChI Key
UFGKEFGYNRJIGO-SNAWJCMRSA-N
InChI Identifier
InChI=1S/C14H12O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10,15-16H/b5-4+
SMILES
OC1=CC=C(\C=C\C2=CC=CC(O)=C2)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
4.07e-02 g/l
LogS (ALOGPS)
-3.72
LogP (ALOGPS)
3.28
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
65.47460000000002
Polarizability
23.540391472876554
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.450093868779732
pKa (strongest acidic)
8.655242168646843
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
(Poly)phenol metabolites
Class
Stilbene metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
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", "Hydrocarbon derivatives", "Organooxygen compounds", "Styrenes"]
External Descriptor Annotations
Not Available
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", "Stilbene", "Styrene"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(105.0334912,8.607561494);(107.0491413,4.344930816);(119.0491413,3.966524166);(185.0960915,1.957802057);(195.0804414,3.379789324);(213.0910061,69.56070703)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(105.0334912,20.7911235);(107.0491413,7.969599955);(117.0334912,3.455683233);(119.0491413,9.866507373);(169.0647913,3.939613491);(171.0804414,3.816077187);(183.0804414,2.380794547);(185.0960915,2.594192425);(195.0804414,3.059046083);(213.0910061,23.32226535)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(49.00727645,5.027529677);(51.02292652,1.504108533);(63.02292652,4.54314145);(65.03857658,3.288593454);(75.02292652,4.618943665);(77.03857658,6.523949411);(79.01784114,1.445276059);(79.05422664,3.399525183);(89.03857658,3.117162813);(91.05422664,2.652610292);(101.0385766,2.578629563);(105.0334912,11.02579353);(107.0491413,5.273936616);(117.0334912,4.429898134);(119.0491413,2.897742361);(141.0334912,2.511727241);(143.0491413,2.643805371);(145.0647913,1.167193809);(155.0855268,1.216256901);(167.0491413,1.445628189);(167.0855268,2.238204641);(169.0647913,1.364767887);(171.0804414,1.478130207);(195.0804414,1.665870147);(197.0597059,1.994198589)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(93.03458836,0.1687503787);(181.0658885,0.350712317);(183.0815386,1.790798283);(185.0608031,0.2730769237);(193.0658885,1.53297861);(211.0764532,94.74728829)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(167.0502384,0.944231205);(169.0658885,1.757179042);(181.0658885,1.250887667);(183.0815386,10.16623316);(193.0658885,3.266280745);(211.0764532,75.71707093)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(63.02402368,1.986926602);(93.03458836,7.088722446);(117.0345884,3.366994746);(143.0502384,2.584855564);(153.0345884,1.654654071);(157.0658885,2.829934703);(165.0709739,2.991083558);(167.0502384,6.231503502);(169.0658885,7.048692751);(179.0502384,3.342840138);(181.0658885,6.771948422);(183.045153,1.675502294);(183.0815386,11.45477014);(185.0608031,3.221885842);(193.0658885,6.901420499);(195.045153,2.201095484);(211.0764532,9.861491346)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
Resveratrol (trans-)Apple juiceBeverages, Non-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
Resveratrol (trans-)ChocolateCocoa 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
Resveratrol (trans-)Green teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)Itadori teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)LingonberryFruit, Berries PublicationsShow
Resveratrol (trans-)MulberryFruit, Berries PublicationsShow
Resveratrol (trans-)Partridge berryFruit, Berries PublicationsShow
Resveratrol (trans-)Peach juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)PeanutNuts PublicationsShow
Resveratrol (trans-)PistachioNuts PublicationsShow
Resveratrol (trans-)PomaceFruit, Other fruits PublicationsShow
Resveratrol (trans-)Red champagneBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)Red grape juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)Red teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)Red wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)Red wine grapeBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)Rosé wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)SparkleberryFruit, Berries PublicationsShow
Resveratrol (trans-)Tilia teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)TomatoVegetables, Fruit vegetables PublicationsShow
Resveratrol (trans-)White grape juiceBeverages, Non-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
Resveratrol (trans-) 3,4'-dihydroxy-trans-stilbenehuman in vitro (human)feces, urinegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC14H12O2212.083729626 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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