1.0 2010-04-08 22:09:40 UTC 2019-11-26 03:04:57 UTC FDB011471 (S)-Homostachydrine Isolated from seeds of Medicago sativa (alfalfa)and is also from Achillea millefolium (yarrow). (S)-Homostachydrine is found in alfalfa, herbs and spices, and pulses. Homostachydrine C8H15NO2 157.2102 157.110278729 (2S)-1,1-dimethylpiperidin-1-ium-2-carboxylate homostachydrine 472-22-0 C[N+]1(C)CCCC[C@H]1C([O-])=O InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1 XULZWQRXYTVUTE-ZETCQYMHSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-alpha-amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Amines Azacyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organopnictogen compounds Piperidinecarboxylic acids Tetraalkylammonium salts Aliphatic heteromonocyclic compound Amine Azacycle Carbonyl group Carboxylic acid Carboxylic acid salt Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Piperidinecarboxylic acid Quaternary ammonium salt Tetraalkylammonium salt Pyrrolidine alkaloids logp -1.95 ALOGPS logs -3.19 ALOGPS solubility 1.37e-01 g/l ALOGPS melting_point Mp 300° dec. logp -3.4 ChemAxon pka_strongest_acidic 2.39 ChemAxon iupac (2S)-1,1-dimethylpiperidin-1-ium-2-carboxylate ChemAxon average_mass 157.2102 ChemAxon mono_mass 157.110278729 ChemAxon smiles C[N+]1(C)CCCC[C@H]1C([O-])=O ChemAxon formula C8H15NO2 ChemAxon inchi InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1 ChemAxon inchikey XULZWQRXYTVUTE-ZETCQYMHSA-N ChemAxon polar_surface_area 40.13 ChemAxon refractivity 64.71 ChemAxon polarizability 16.92 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6086 Specdb::MsIr 6087 Specdb::CMs 14222 Specdb::CMs 132155 Specdb::CMs 139889 Specdb::MsMs 297358 Specdb::MsMs 297359 Specdb::MsMs 297360 Specdb::MsMs 338866 Specdb::MsMs 338867 Specdb::MsMs 338868 Specdb::MsMs 2732427 Specdb::MsMs 2732428 Specdb::MsMs 2732429 Specdb::MsMs 2976638 Specdb::MsMs 2976639 Specdb::MsMs 2976640 Specdb::NmrOneD 119878 Specdb::NmrOneD 119879 Specdb::NmrOneD 119880 Specdb::NmrOneD 119881 Specdb::NmrOneD 119882 Specdb::NmrOneD 119883 Specdb::NmrOneD 119884 Specdb::NmrOneD 119885 Specdb::NmrOneD 119886 Specdb::NmrOneD 119887 Specdb::NmrOneD 119888 Specdb::NmrOneD 119889 Specdb::NmrOneD 119890 Specdb::NmrOneD 119891 Specdb::NmrOneD 119892 Specdb::NmrOneD 119893 Specdb::NmrOneD 119894 Specdb::NmrOneD 119895 Specdb::NmrOneD 119896 Specdb::NmrOneD 119897 HMDB33433 #<Reference:0x000055ce32552b60> Alfalfa Type 1 specific Medicago sativa 3879 Herbs and Spices Unknown generic Pulses Unknown generic