1.02010-04-08 22:11:33 UTC2019-11-26 03:10:57 UTCFDB014926Menthofuran(r)-menthofuran, also known as 4,5,6,7-tetrahydro-3,6-dimethylbenzofuran or 3,9-epoxy-P-mentha-3,8-diene, is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring (r)-menthofuran is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-menthofuran is a coffee, earthy, and musty tasting compound found in herbs and spices, mentha (mint), and orange mint, which makes (r)-menthofuran a potential biomarker for the consumption of these food products (r)-menthofuran can be found primarily in saliva. 3,9-Epoxy-p-mentha-3,8-diene4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran, 9CIFEMA 3235C10H14O150.2176150.104465073,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran3,9-epoxy-p-mentha-3,8-diene494-90-6CC1CCC2=C(C1)OC=C2CInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3YGWKXXYGDYYFJU-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.Aromatic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAromatic heteropolycyclic compoundsBenzofuransBicyclic monoterpenoidsFuransHeteroaromatic compoundsHydrocarbon derivativesOrganooxygen compoundsOxacyclic compoundsAromatic heteropolycyclic compoundAromatic monoterpenoidBenzofuranBicyclic monoterpenoidFuranHeteroaromatic compoundHydrocarbon derivativeMenthofuran monoterpenoidOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycle1-benzofuransIridoidsMenthane monoterpenoidsa monoterpenoidmonoterpenoidlogp3.98logs-3.31solubility7.28e-02 g/llogp3.13pka_strongest_basic-1.4iupac3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuranaverage_mass150.2176mono_mass150.10446507smilesCC1CCC2=C(C1)OC=C2CformulaC10H14OinchiInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3inchikeyYGWKXXYGDYYFJU-UHFFFAOYSA-Npolar_surface_area13.14refractivity45.67polarizability18.04rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsIr7086Specdb::MsIr7087Specdb::CMs18606Specdb::CMs29084Specdb::CMs101783Specdb::CMs134166Specdb::CMs141900Specdb::MsMs7337Specdb::MsMs7338Specdb::MsMs7339Specdb::MsMs12614Specdb::MsMs12615Specdb::MsMs12616Specdb::MsMs14009Specdb::MsMs14010Specdb::MsMs14011Specdb::MsMs19286Specdb::MsMs19287Specdb::MsMs19288Specdb::MsMs2288022Specdb::MsMs2288023Specdb::MsMs2288024Specdb::MsMs2646990Specdb::MsMs2646991Specdb::MsMs2646992CornmintType 1specificMentha arvensis292239421.6840.03.2mg/100 gMenthaType 1specificMentha21819Orange mintType 1specificMentha aquatica190902203.85380.627.1mg/100 gPeppermintType 1specificMentha X piperita34256110.0110.0110.0mg/100 gSpearmintType 1specificMentha spicata29719366.85728.55.2mg/100 gcalcium antagonist748Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.hepatotoxic984A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.nematicide1141A substance used to destroy pests of the phylum Nematoda (roundworms).pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.pulmonotoxic1274A role played by the molecular entity or part thereof which causes the development of a pathological process.