1.02010-04-08 22:05:00 UTC2019-11-26 02:56:33 UTCFDB001524IpomoeamaroneIpomoeamarone, also known as ipomeamarone, (2r-cis)-isomer or ngaione, is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Ipomoeamarone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ipomoeamarone can be found in sweet potato, which makes ipomoeamarone a potential biomarker for the consumption of this food product. (+)-ipomeamarone(+)-NgaioneBOHLMANN 176IpomeamaroneIpomeamarone, (+)-IpomeamoroneNgaioneNgaione, (+)-C15H22O3250.338250.1568945681-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one494-23-5CC(C)CC(=O)CC1(C)CCC(O1)C1=COC=C1InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3WOFDWNOSFDVCDF-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.Heteroaromatic compoundsOrganic compoundsOrganoheterocyclic compoundsHeteroaromatic compoundsAromatic heteromonocyclic compoundsDialkyl ethersFuransHydrocarbon derivativesKetonesOrganic oxidesOxacyclic compoundsTetrahydrofuransAromatic heteromonocyclic compoundCarbonyl groupDialkyl etherEtherFuranHeteroaromatic compoundHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleTetrahydrofuranlogp3.39logs-3.79solubility4.08e-02 g/llogp3.27pka_strongest_acidic19.07pka_strongest_basic-2.9iupac1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-oneaverage_mass250.338mono_mass250.156894568smilesCC(C)CC(=O)CC1(C)CCC(O1)C1=COC=C1formulaC15H22O3inchiInChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3inchikeyWOFDWNOSFDVCDF-UHFFFAOYSA-Npolar_surface_area39.44refractivity69.77polarizability28.24rotatable_bond_count5acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs6023Specdb::MsMs79899Specdb::MsMs79900Specdb::MsMs79901Specdb::MsMs140610Specdb::MsMs140611Specdb::MsMs140612Specdb::MsMs3597667Specdb::MsMs3597668Specdb::MsMs3597669Specdb::MsMs3598963Specdb::MsMs3598964Specdb::MsMs3598965Sweet potatoType 1specificIpomoea batatas4120