1.0 2010-04-08 22:09:41 UTC 2019-11-26 03:05:03 UTC FDB011533 Pipermethystine Alkaloid from the leaves of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Pipermethystine is an alkaloid present in the aerial (aboveground) portions of the kava plant. Pipermethystine is found in beverages. 5-Acetoxy-5,6-dihydro-1-(3-phenylpropanoyl)-2(1H)-pyridone C16H17NO4 287.3105 287.115758037 6-oxo-1-(3-phenylpropanoyl)-1,2,3,6-tetrahydropyridin-3-yl acetate 6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl acetate 71627-22-0 CC(=O)OC1CN(C(=O)CCC2=CC=CC=C2)C(=O)C=C1 InChI=1S/C16H17NO4/c1-12(18)21-14-8-10-16(20)17(11-14)15(19)9-7-13-5-3-2-4-6-13/h2-6,8,10,14H,7,9,11H2,1H3 JLNNQCUATONMIT-UHFFFAOYSA-N belongs to the class of organic compounds known as hydropyridines. Hydropyridines are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.). Hydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aromatic heteromonocyclic compounds Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Dicarboximides Hydrocarbon derivatives Monocarboxylic acids and derivatives N-substituted carboxylic acid imides Organic oxides Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Carboxylic acid imide Carboxylic acid imide, n-substituted Dicarboximide Hydrocarbon derivative Hydropyridine Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 1.78 ALOGPS logs -4.00 ALOGPS solubility 2.85e-02 g/l ALOGPS logp 1.65 ChemAxon pka_strongest_acidic 15 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 6-oxo-1-(3-phenylpropanoyl)-1,2,3,6-tetrahydropyridin-3-yl acetate ChemAxon average_mass 287.3105 ChemAxon mono_mass 287.115758037 ChemAxon smiles CC(=O)OC1CN(C(=O)CCC2=CC=CC=C2)C(=O)C=C1 ChemAxon formula C16H17NO4 ChemAxon inchi InChI=1S/C16H17NO4/c1-12(18)21-14-8-10-16(20)17(11-14)15(19)9-7-13-5-3-2-4-6-13/h2-6,8,10,14H,7,9,11H2,1H3 ChemAxon inchikey JLNNQCUATONMIT-UHFFFAOYSA-N ChemAxon polar_surface_area 63.68 ChemAxon refractivity 77.2 ChemAxon polarizability 30.04 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17095 Specdb::CMs 151302 Specdb::MsMs 12584 Specdb::MsMs 12585 Specdb::MsMs 12586 Specdb::MsMs 19256 Specdb::MsMs 19257 Specdb::MsMs 19258 Specdb::MsMs 2282251 Specdb::MsMs 2282252 Specdb::MsMs 2282253 Specdb::MsMs 3086110 Specdb::MsMs 3086111 Specdb::MsMs 3086112 HMDB33486 #<Reference:0x000055ce31e4d8b0> Beverages Unknown generic