1.02010-04-08 22:05:30 UTC2019-11-26 02:57:55 UTCFDB002758Pinocembrin(s)-pinocembrin, also known as 5,7-dihydroxyflavanone or dihydrochrysin, is a member of the class of compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3 (s)-pinocembrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-pinocembrin is a bitter tasting compound found in mexican oregano and tarragon, which makes (s)-pinocembrin a potential biomarker for the consumption of these food products. 2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CIPinocembrinC15H12O4256.257256.0735588665,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-onepinocembrin68745-38-0OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2URFCJEUYXNAHFI-UHFFFAOYSA-N belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.FlavanonesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavansAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersAryl alkyl ketonesBenzene and substituted derivativesChromonesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid5-hydroxyflavonoid7-hydroxyflavonoidAlkyl aryl etherAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranChromaneChromoneEtherFlavanoneHydrocarbon derivativeHydroxyflavonoidKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleVinylogous acidlogp2.85logs-3.14solubility1.88e-01 g/llogp3.14pka_strongest_acidic7.87pka_strongest_basic-5iupac5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneaverage_mass256.257mono_mass256.073558866smilesOC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1formulaC15H12O4inchiInChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2inchikeyURFCJEUYXNAHFI-UHFFFAOYSA-Npolar_surface_area66.76refractivity69.31polarizability26.27rotatable_bond_count1acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::CMs5832Specdb::CMs26873Specdb::CMs42178Specdb::CMs100563Specdb::MsMs11174Specdb::MsMs11175Specdb::MsMs11176Specdb::MsMs17846Specdb::MsMs17847Specdb::MsMs17848Specdb::MsMs374658Specdb::MsMs439461Specdb::MsMs439463Specdb::MsMs439465Specdb::MsMs439833Specdb::MsMs449513Specdb::MsMs449515Specdb::MsMs449517Specdb::MsMs450058Specdb::MsMs451291Specdb::MsMs452032Mexican oreganoType 1specificLippia graveolens10.010.59.5mg/100 gTarragonType 1specificArtemisia dracunculus72341bitteranesthetic62anti bacterial145A substance that kills or slows the growth of bacteria.anti leukemic393A substance that inhibits or prevents the proliferation of neoplasms.anti septic603A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.artemicide707candidicide756cytotoxic859A role played by the molecular entity or part thereof which causes the development of a pathological process.fungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.