1.02010-04-08 22:04:32 UTC2019-11-26 02:54:38 UTCFDB0003364-Vinylsyringol4-vinylsyringol is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4-vinylsyringol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-vinylsyringol can be found in rape, which makes 4-vinylsyringol a potential biomarker for the consumption of this food product. 4-vinylsyringol is a phenolic compound found in crude canola oil. It is produced by decarboxylation of sinapic acid during canola seed roasting .2,6-Dimethoxy-4-vinylphenol4-hydroxy-3,5-dimethoxystyrene4-Vinyl-2,6-dimethoxyphenol4-Vinyl-2,6-dimethoxyphenol (4-vinylsyringol)CanololPhenol, 4-ethenyl, 2,6-dimethoxyC15H14O3242.2699242.0942943143-methoxy-5-[(E)-2-phenylethenyl]benzene-1,2-diol3-methoxy-5-[(E)-2-phenylethenyl]benzene-1,2-diolCOC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1OInChI=1S/C15H14O3/c1-18-14-10-12(9-13(16)15(14)17)8-7-11-5-3-2-4-6-11/h2-10,16-17H,1H3/b8-7+WBBHYMRWGHBXLS-BQYQJAHWSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.StilbenesOrganic compoundsPhenylpropanoids and polyketidesStilbenesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAlkyl aryl ethersAnisolesCatecholsHydrocarbon derivativesMethoxybenzenesMethoxyphenolsPhenoxy compoundsStyrenes1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAlkyl aryl etherAnisoleAromatic homomonocyclic compoundBenzenoidCatecholEtherHydrocarbon derivativeMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenolPhenol etherPhenoxy compoundStilbeneStyrenelogp3.16logs-3.68solubility5.05e-02 g/llogp3.55pka_strongest_acidic9.46pka_strongest_basic-4.9iupac3-methoxy-5-[(E)-2-phenylethenyl]benzene-1,2-diolaverage_mass242.2699mono_mass242.094294314smilesCOC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1OformulaC15H14O3inchiInChI=1S/C15H14O3/c1-18-14-10-12(9-13(16)15(14)17)8-7-11-5-3-2-4-6-11/h2-10,16-17H,1H3/b8-7+inchikeyWBBHYMRWGHBXLS-BQYQJAHWSA-Npolar_surface_area49.69refractivity71.94polarizability26.46rotatable_bond_count3acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::CMs5824Specdb::MsMs89997Specdb::MsMs89998Specdb::MsMs89999Specdb::MsMs153054Specdb::MsMs153055Specdb::MsMs153056Specdb::MsMs3597079Specdb::MsMs3597080Specdb::MsMs3597081Specdb::MsMs3597082Specdb::MsMs3597083Specdb::MsMs3597084BlackberryType 1specificRubusEvergreen blackberryType 1specificRubus laciniatusRapeType 1specificBrassica napus var. napus13801114.43422714.43422651814.434226518mg/100 g