1.0 2010-04-08 22:11:08 UTC 2019-11-26 03:09:39 UTC FDB014210 1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone Alkaloid from Houttuynia cordata (Yu Xing Cao). 1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone is found in herbs and spices. 1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone, 9CI C36H65NO2 543.9068 543.501530329 1-(5-decanoyl-4-nonyl-1,4-dihydropyridin-3-yl)dodecan-1-one 1-(5-decanoyl-4-nonyl-1,4-dihydropyridin-3-yl)dodecan-1-one 158528-01-9 CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCC InChI=1S/C36H65NO2/c1-4-7-10-13-16-17-20-23-26-29-36(39)34-31-37-30-33(32(34)27-24-21-18-14-11-8-5-2)35(38)28-25-22-19-15-12-9-6-3/h30-32,37H,4-29H2,1-3H3 YBWDZBFATGBRLG-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyridines. Dihydropyridines are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds. Dihydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aliphatic heteromonocyclic compounds Allylamines Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Ketones Organic oxides Organopnictogen compounds Vinylogous amides Aliphatic heteromonocyclic compound Allylamine Amine Azacycle Carbonyl group Dihydropyridine Enamine Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Vinylogous amide logp 9.72 ALOGPS logs -7.23 ALOGPS solubility 3.22e-05 g/l ALOGPS logp 12.57 ChemAxon pka_strongest_basic 2.65 ChemAxon iupac 1-(5-decanoyl-4-nonyl-1,4-dihydropyridin-3-yl)dodecan-1-one ChemAxon average_mass 543.9068 ChemAxon mono_mass 543.501530329 ChemAxon smiles CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCC ChemAxon formula C36H65NO2 ChemAxon inchi InChI=1S/C36H65NO2/c1-4-7-10-13-16-17-20-23-26-29-36(39)34-31-37-30-33(32(34)27-24-21-18-14-11-8-5-2)35(38)28-25-22-19-15-12-9-6-3/h30-32,37H,4-29H2,1-3H3 ChemAxon inchikey YBWDZBFATGBRLG-UHFFFAOYSA-N ChemAxon polar_surface_area 46.17 ChemAxon refractivity 170.35 ChemAxon polarizability 73.09 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23867 Specdb::MsMs 95142 Specdb::MsMs 95143 Specdb::MsMs 95144 Specdb::MsMs 159330 Specdb::MsMs 159331 Specdb::MsMs 159332 Specdb::MsMs 2321206 Specdb::MsMs 2321207 Specdb::MsMs 2321208 Specdb::MsMs 2614408 Specdb::MsMs 2614409 Specdb::MsMs 2614410 HMDB35518 #<Reference:0x000055ce31802708> Herbs and Spices Unknown generic