1.0 2010-04-08 22:14:20 UTC 2015-07-21 06:35:38 UTC FDB019414 Pandamarilactone 31 Food flavouring. Alkaloid from leaves of Pandanus amaryllifolius C19H25NO4 331.4061 331.178358293 6-methoxy-6-methyl-1-{4-[(2E)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-5-one 6-methoxy-6-methyl-1-{4-[(2E)-4-methyl-5-oxofuran-2-ylidene]butyl}-2H,3H,4H,7H-cyclopenta[b]pyridin-5-one 152606-64-9 COC1(C)CC2=C(CCCN2CCC\C=C2\OC(=O)C(C)=C2)C1=O InChI=1S/C19H25NO4/c1-13-11-14(24-18(13)22)7-4-5-9-20-10-6-8-15-16(20)12-19(2,23-3)17(15)21/h7,11H,4-6,8-10,12H2,1-3H3/b14-7+ DJRTYVRGVQFHJR-VGOFMYFVSA-N belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. Tetrahydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aliphatic heteropolycyclic compounds Amino acids and derivatives Azacyclic compounds Butenolides Dialkyl ethers Enamines Enoate esters Enol esters Hydrocarbon derivatives Ketones Lactones Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Trialkylamines Vinylogous amides 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enamine Enoate ester Enol ester Ether Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Tertiary aliphatic amine Tertiary amine Tetrahydropyridine Vinylogous amide logp 2.85 ALOGPS logs -3.36 ALOGPS solubility 1.45e-01 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_basic 7.6 ChemAxon iupac 6-methoxy-6-methyl-1-{4-[(2E)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-5-one ChemAxon average_mass 331.4061 ChemAxon mono_mass 331.178358293 ChemAxon smiles COC1(C)CC2=C(CCCN2CCC\C=C2\OC(=O)C(C)=C2)C1=O ChemAxon formula C19H25NO4 ChemAxon inchi InChI=1S/C19H25NO4/c1-13-11-14(24-18(13)22)7-4-5-9-20-10-6-8-15-16(20)12-19(2,23-3)17(15)21/h7,11H,4-6,8-10,12H2,1-3H3/b14-7+ ChemAxon inchikey DJRTYVRGVQFHJR-VGOFMYFVSA-N ChemAxon polar_surface_area 55.84 ChemAxon refractivity 95.56 ChemAxon polarizability 37.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12447 Specdb::CMs 172204 Specdb::MsMs 79677 Specdb::MsMs 79678 Specdb::MsMs 79679 Specdb::MsMs 140325 Specdb::MsMs 140326 Specdb::MsMs 140327 Specdb::MsMs 2397648 Specdb::MsMs 2397649 Specdb::MsMs 2397650 Specdb::MsMs 2541563 Specdb::MsMs 2541564 Specdb::MsMs 2541565 HMDB39766 #<Reference:0x000055ce2ef17438>