1.0 2010-04-08 22:13:27 UTC 2019-11-26 03:15:34 UTC FDB018014 Acidissiminin epoxide Alkaloid from the fruit of Limonia acidissima (wood apple). Acidissiminin epoxide is found in beverages and fruits. 1-Hydroxy-5-oxo-2-phenylcyclohexanecarboxylic acid Acidissiminin epoxide Severine palmitate C43H65NO5 675.9799 675.486274195 (3E)-1-(3,3-dimethyloxiran-2-yl)-3-methyl-5-{4-[2-(phenylformamido)ethyl]phenoxy}pent-3-en-2-yl octadecanoate (3E)-1-(3,3-dimethyloxiran-2-yl)-3-methyl-5-{4-[2-(phenylformamido)ethyl]phenoxy}pent-3-en-2-yl octadecanoate 139083-09-3 CCCCCCCCCCCCCCCCCC(=O)OC(CC1OC1(C)C)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1 InChI=1S/C43H65NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(45)48-39(34-40-43(3,4)49-40)35(2)31-33-47-38-28-26-36(27-29-38)30-32-44-42(46)37-23-20-19-21-24-37/h19-21,23-24,26-29,31,39-40H,5-18,22,25,30,32-34H2,1-4H3,(H,44,46)/b35-31+ HFHPIKRMXPBEKX-JSLDZMDGSA-N belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. Benzamides Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteromonocyclic compounds Alkyl aryl ethers Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenol ethers Phenoxy compounds Secondary carboxylic acid amides Alkyl aryl ether Aromatic heteromonocyclic compound Benzamide Benzoyl Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxirane Phenol ether Phenoxy compound Secondary carboxylic acid amide logp 9.99 ALOGPS logs -7.59 ALOGPS solubility 1.74e-05 g/l ALOGPS melting_point Mp 113-114° logp 11.45 ChemAxon pka_strongest_acidic 15 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (3E)-1-(3,3-dimethyloxiran-2-yl)-3-methyl-5-{4-[2-(phenylformamido)ethyl]phenoxy}pent-3-en-2-yl octadecanoate ChemAxon average_mass 675.9799 ChemAxon mono_mass 675.486274195 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OC(CC1OC1(C)C)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1 ChemAxon formula C43H65NO5 ChemAxon inchi InChI=1S/C43H65NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(45)48-39(34-40-43(3,4)49-40)35(2)31-33-47-38-28-26-36(27-29-38)30-32-44-42(46)37-23-20-19-21-24-37/h19-21,23-24,26-29,31,39-40H,5-18,22,25,30,32-34H2,1-4H3,(H,44,46)/b35-31+ ChemAxon inchikey HFHPIKRMXPBEKX-JSLDZMDGSA-N ChemAxon polar_surface_area 77.16 ChemAxon refractivity 201.89 ChemAxon polarizability 84.78 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15640 Specdb::MsMs 60213 Specdb::MsMs 60214 Specdb::MsMs 60215 Specdb::MsMs 116508 Specdb::MsMs 116509 Specdb::MsMs 116510 Specdb::MsMs 2822888 Specdb::MsMs 2822889 Specdb::MsMs 2822890 Specdb::MsMs 2858795 Specdb::MsMs 2858796 Specdb::MsMs 2858797 HMDB38620 #<Reference:0x00007f08d4604ff8> Beverages Unknown generic Fruits Unknown generic