1.0 2010-04-08 22:11:08 UTC 2019-11-26 03:09:40 UTC FDB014211 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-dodecanone] Alkaloid from Houttuynia cordata (Yu Xing Cao). 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-dodecanone] is found in herbs and spices. 1-phenylsulfanyl-N,N-dipropan-2-yl-formamide 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-dodecanone], 9CI C38H69NO2 571.96 571.532830457 1-(5-dodecanoyl-4-nonyl-1,4-dihydropyridin-3-yl)dodecan-1-one 1-(5-dodecanoyl-4-nonyl-1,4-dihydropyridin-3-yl)dodecan-1-one 158528-02-0 CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCCCC InChI=1S/C38H69NO2/c1-4-7-10-13-16-18-21-24-27-30-37(40)35-32-39-33-36(34(35)29-26-23-20-15-12-9-6-3)38(41)31-28-25-22-19-17-14-11-8-5-2/h32-34,39H,4-31H2,1-3H3 CWQUIDDWEBMILK-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 10.03 ALOGPS logs -7.37 ALOGPS solubility 2.46e-05 g/l ALOGPS logp 13.46 ChemAxon pka_strongest_basic 2.65 ChemAxon iupac 1-(5-dodecanoyl-4-nonyl-1,4-dihydropyridin-3-yl)dodecan-1-one ChemAxon average_mass 571.96 ChemAxon mono_mass 571.532830457 ChemAxon smiles CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCCCC ChemAxon formula C38H69NO2 ChemAxon inchi InChI=1S/C38H69NO2/c1-4-7-10-13-16-18-21-24-27-30-37(40)35-32-39-33-36(34(35)29-26-23-20-15-12-9-6-3)38(41)31-28-25-22-19-17-14-11-8-5-2/h32-34,39H,4-31H2,1-3H3 ChemAxon inchikey CWQUIDDWEBMILK-UHFFFAOYSA-N ChemAxon polar_surface_area 46.17 ChemAxon refractivity 179.55 ChemAxon polarizability 77.4 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9507 Specdb::MsMs 64632 Specdb::MsMs 64633 Specdb::MsMs 64634 Specdb::MsMs 121848 Specdb::MsMs 121849 Specdb::MsMs 121850 Specdb::MsMs 2814523 Specdb::MsMs 2814524 Specdb::MsMs 2814525 Specdb::MsMs 2890944 Specdb::MsMs 2890945 Specdb::MsMs 2890946 HMDB35519 #<Reference:0x000055ce32c9c538> Herbs and Spices Unknown generic