1.0 2010-04-08 22:04:50 UTC 2025-11-18 22:28:05 UTC FDB001104 Tigloidine Alkaloid from Physalis alkekengi (winter cherry). Tigloidine is found in fruits. Tigloidine, BAN, INN C13H21NO2 223.3113 223.157228921 8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2E)-2-methylbut-2-enoate tigloidine 533-08-4 C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+ UVHGSMZRSVGWDJ-RUDMXATFSA-N belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. Tropane alkaloids Organic compounds Alkaloids and derivatives Tropane alkaloids Aliphatic heteropolycyclic compounds Amino acids and derivatives Azacyclic compounds Carbonyl compounds Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives N-alkylpyrrolidines Organic oxides Organopnictogen compounds Piperidines Trialkylamines Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Pyrrolidine Tertiary aliphatic amine Tertiary amine Tropane alkaloid Tropane alkaloids tropane alkaloid logp 2.41 ALOGPS logs -1.36 ALOGPS solubility 9.69e+00 g/l ALOGPS logp 2.25 ChemAxon pka_strongest_basic 9.42 ChemAxon iupac 8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 223.3113 ChemAxon mono_mass 223.157228921 ChemAxon smiles C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C ChemAxon formula C13H21NO2 ChemAxon inchi InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+ ChemAxon inchikey UVHGSMZRSVGWDJ-RUDMXATFSA-N ChemAxon polar_surface_area 29.54 ChemAxon refractivity 64.42 ChemAxon polarizability 25.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19573 Specdb::CMs 150061 Specdb::MsMs 65085 Specdb::MsMs 65086 Specdb::MsMs 65087 Specdb::MsMs 122418 Specdb::MsMs 122419 Specdb::MsMs 122420 Specdb::MsMs 2744898 Specdb::MsMs 2744899 Specdb::MsMs 2744900 Specdb::MsMs 2937439 Specdb::MsMs 2937440 Specdb::MsMs 2937441 Specdb::NmrOneD 110238 Specdb::NmrOneD 110239 Specdb::NmrOneD 110240 Specdb::NmrOneD 110241 Specdb::NmrOneD 110242 Specdb::NmrOneD 110243 Specdb::NmrOneD 110244 Specdb::NmrOneD 110245 Specdb::NmrOneD 110246 Specdb::NmrOneD 110247 Specdb::NmrOneD 110248 Specdb::NmrOneD 110249 Specdb::NmrOneD 110250 Specdb::NmrOneD 110251 Specdb::NmrOneD 110252 Specdb::NmrOneD 110253 Specdb::NmrOneD 110254 Specdb::NmrOneD 110255 Specdb::NmrOneD 110256 Specdb::NmrOneD 110257 HMDB0029875 Fruits Unknown generic