1.0 2010-04-08 22:10:55 UTC 2025-11-19 00:36:17 UTC FDB013820 Sporamin The major storage protein of sweet potato tubers Ipomoea batatas accounting for ca. 80% of total soluble protein. Possesses Trypsin inhibiting activity which may have a defense role against tuber damage. Sporamin is found in root vegetables. Ipomoein C21H30BrNO4 440.378 439.135821 (1S,2R,4S,5S)-9-butyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-9-ium bromide (1S,2R,4S,5S)-9-butyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-9-ium bromide [Br-].[H]C(CO)(C(=O)OC1([H])C[C@@]2([H])[C@@]3([H])O[C@@]3([H])[C@]([H])(C1)[N+]2(C)CCCC)C1=CC=CC=C1 InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16?,17-,18-,19-,20+,22?;/m0./s1 HOZOZZFCZRXYEK-GXLSIKBRSA-M belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aromatic heteropolycyclic compounds Amines Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Hydrocarbon derivatives Monocarboxylic acids and derivatives Morpholines N-alkylpyrrolidines Organic bromide salts Organic oxides Organic zwitterions Organopnictogen compounds Oxacyclic compounds Piperidines Primary alcohols Tetraalkylammonium salts Alcohol Amine Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Morpholine N-alkylpyrrolidine Organic bromide salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Oxirane Piperidine Primary alcohol Pyrrolidine Quaternary ammonium salt Tetraalkylammonium salt logp -0.60 ALOGPS logs -5.42 ALOGPS solubility 1.66e-03 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 15.15 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (1S,2R,4S,5S)-9-butyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-9-ium bromide ChemAxon average_mass 440.378 ChemAxon mono_mass 439.135821 ChemAxon smiles [Br-].[H]C(CO)(C(=O)OC1([H])C[C@@]2([H])[C@@]3([H])O[C@@]3([H])[C@]([H])(C1)[N+]2(C)CCCC)C1=CC=CC=C1 ChemAxon formula C21H30BrNO4 ChemAxon inchi InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16?,17-,18-,19-,20+,22?;/m0./s1 ChemAxon inchikey HOZOZZFCZRXYEK-GXLSIKBRSA-M ChemAxon polar_surface_area 59.06 ChemAxon refractivity 109.51 ChemAxon polarizability 0 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1232134 Specdb::MsMs 1232135 Specdb::MsMs 1232136 Specdb::MsMs 1347661 Specdb::MsMs 1347662 Specdb::MsMs 1347663 Root vegetables Unknown generic