1.0 2010-04-08 22:11:08 UTC 2019-11-26 03:09:39 UTC FDB014209 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone] Alkaloid from Houttuynia cordata (Yu Xing Cao). 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone] is found in herbs and spices. 1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone], 9CI C34H61NO2 515.8536 515.470230201 1-(5-decanoyl-4-nonyl-1,4-dihydropyridin-3-yl)decan-1-one 1-(5-decanoyl-4-nonyl-1,4-dihydropyridin-3-yl)decan-1-one 158528-00-8 CCCCCCCCCC1C(=CNC=C1C(=O)CCCCCCCCC)C(=O)CCCCCCCCC InChI=1S/C34H61NO2/c1-4-7-10-13-16-19-22-25-30-31(33(36)26-23-20-17-14-11-8-5-2)28-35-29-32(30)34(37)27-24-21-18-15-12-9-6-3/h28-30,35H,4-27H2,1-3H3 WBCPDCHBBWAFSO-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 9.33 ALOGPS logs -7.07 ALOGPS solubility 4.42e-05 g/l ALOGPS logp 11.68 ChemAxon pka_strongest_basic 2.65 ChemAxon iupac 1-(5-decanoyl-4-nonyl-1,4-dihydropyridin-3-yl)decan-1-one ChemAxon average_mass 515.8536 ChemAxon mono_mass 515.470230201 ChemAxon smiles CCCCCCCCCC1C(=CNC=C1C(=O)CCCCCCCCC)C(=O)CCCCCCCCC ChemAxon formula C34H61NO2 ChemAxon inchi InChI=1S/C34H61NO2/c1-4-7-10-13-16-19-22-25-30-31(33(36)26-23-20-17-14-11-8-5-2)28-35-29-32(30)34(37)27-24-21-18-15-12-9-6-3/h28-30,35H,4-27H2,1-3H3 ChemAxon inchikey WBCPDCHBBWAFSO-UHFFFAOYSA-N ChemAxon polar_surface_area 46.17 ChemAxon refractivity 161.15 ChemAxon polarizability 68.78 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23508 Specdb::MsMs 106797 Specdb::MsMs 106798 Specdb::MsMs 106799 Specdb::MsMs 173631 Specdb::MsMs 173632 Specdb::MsMs 173633 Specdb::MsMs 2446998 Specdb::MsMs 2446999 Specdb::MsMs 2447000 Specdb::MsMs 2518326 Specdb::MsMs 2518327 Specdb::MsMs 2518328 HMDB35517 #<Reference:0x000055ce30d70e20> Herbs and Spices Unknown generic