1.0 2010-04-08 22:05:00 UTC 2019-11-26 02:56:33 UTC FDB001524 Ipomoeamarone Ipomoeamarone, 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 (+)-Ngaione BOHLMANN 176 Ipomeamarone Ipomeamarone, (+)- Ipomeamorone Ngaione Ngaione, (+)- C15H22O3 250.338 250.156894568 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one 494-23-5 CC(C)CC(=O)CC1(C)CCC(O1)C1=COC=C1 InChI=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,4,6,8-9H2,1-3H3 WOFDWNOSFDVCDF-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 compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Dialkyl ethers Furans Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Tetrahydrofurans Aromatic heteromonocyclic compound Carbonyl group Dialkyl ether Ether Furan Heteroaromatic compound Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.39 ALOGPS logs -3.79 ALOGPS solubility 4.08e-02 g/l ALOGPS logp 3.27 ChemAxon pka_strongest_acidic 19.07 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one ChemAxon average_mass 250.338 ChemAxon mono_mass 250.156894568 ChemAxon smiles CC(C)CC(=O)CC1(C)CCC(O1)C1=COC=C1 ChemAxon formula C15H22O3 ChemAxon inchi InChI=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,4,6,8-9H2,1-3H3 ChemAxon inchikey WOFDWNOSFDVCDF-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 69.77 ChemAxon polarizability 28.24 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 6023 Specdb::MsMs 79899 Specdb::MsMs 79900 Specdb::MsMs 79901 Specdb::MsMs 140610 Specdb::MsMs 140611 Specdb::MsMs 140612 Specdb::MsMs 3597667 Specdb::MsMs 3597668 Specdb::MsMs 3597669 Specdb::MsMs 3598963 Specdb::MsMs 3598964 Specdb::MsMs 3598965 Sweet potato Type 1 specific Ipomoea batatas 4120