1.02010-04-08 22:07:34 UTC2019-11-26 03:01:38 UTCFDB007359GentianineGentianine, also known as 4-(2-hydroxyethyl)-5-vinylnicotinate g-lactone, is a member of the class of compounds known as pyranopyridines. Pyranopyridines are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring. Gentianine is soluble (in water) and a strong basic compound (based on its pKa). Gentianine is a bitter tasting compound found in fenugreek, which makes gentianine a potential biomarker for the consumption of this food product.4-(2-hydroxyethyl)-5-vinylnicotinic acid gamma-lactone5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-oneFrom schultesia guianensis malme (mata-zombando)GencianinaGentianineC10H9NO2175.184175.0633285375-ethenyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-onegentianine439-89-4C=CC1=C2CCOC(=O)C2=CN=C1InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2DFNZYFAJQPLJFI-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.PyranopyridinesOrganic compoundsOrganoheterocyclic compoundsPyranopyridinesAromatic heteropolycyclic compoundsAzacyclic compoundsCarboxylic acid estersHeteroaromatic compoundsHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOrganonitrogen compoundsOrganooxygen compoundsOrganopnictogen compoundsOxacyclic compoundsPyridinecarboxylic acidsAromatic heteropolycyclic compoundAzacycleCarboxylic acid derivativeCarboxylic acid esterHeteroaromatic compoundHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacyclePyranopyridinePyridinePyridine carboxylic acidlactonepyranopyridinepyridine alkaloidlogp1.01logs-0.96solubility1.94e+01 g/llogp1.34pka_strongest_basic3.01iupac5-ethenyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-oneaverage_mass175.184mono_mass175.063328537smilesC=CC1=C2CCOC(=O)C2=CN=C1formulaC10H9NO2inchiInChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2inchikeyDFNZYFAJQPLJFI-UHFFFAOYSA-Npolar_surface_area39.19refractivity48.92polarizability17.61rotatable_bond_count1acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs5658Specdb::MsMs86151Specdb::MsMs86152Specdb::MsMs86153Specdb::MsMs148404Specdb::MsMs148405Specdb::MsMs148406Specdb::MsMs3603953Specdb::MsMs3603954Specdb::MsMs3603955Specdb::MsMs3603956Specdb::MsMs3603957Specdb::MsMs360395828981FenugreekType 1specificTrigonella foenum-graecum78534bitteranalgesic56An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.anti anaphylactic111Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti arthritic131Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti bacterial145A substance that kills or slows the growth of bacteria.anti edemic248anti histaminic331Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.anti inflammatory370A substance that reduces or suppresses inflammation.anti meningitic428Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti psychotic564Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.anti rheumatic585Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti shigellic610A substance that kills or slows the growth of bacteria.anti staphylococcic627A substance that kills or slows the growth of bacteria.anti streptococcic631A substance that kills or slows the growth of bacteria.ataractic713central nervous system paralytic814A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.central nervous system stimulant816A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.corticosterogenic837emetic899hypoglycemic1017A drug which lowers the blood glucose level.hypotensive1021myorelaxant1134neurotoxic1160A poison that interferes with the functions of the nervous system.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.sedative1311A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.