1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:12 UTC FDB020609 Acidissiminol epoxide Alkaloid from fruits of Limonia acidissima (wood apple). Acidissiminol epoxide is found in beverages and fruits. Acidissiminol epoxide Severine C25H31NO4 409.5179 409.225308485 N-[2-(4-{[(2E)-5-(3,3-dimethyloxiran-2-yl)-4-hydroxy-3-methylpent-2-en-1-yl]oxy}phenyl)ethyl]benzamide N-[2-(4-{[(2E)-5-(3,3-dimethyloxiran-2-yl)-4-hydroxy-3-methylpent-2-en-1-yl]oxy}phenyl)ethyl]benzamide 139165-01-8 C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC1OC1(C)C InChI=1S/C25H31NO4/c1-18(22(27)17-23-25(2,3)30-23)14-16-29-21-11-9-19(10-12-21)13-15-26-24(28)20-7-5-4-6-8-20/h4-12,14,22-23,27H,13,15-17H2,1-3H3,(H,26,28)/b18-14+ QQKKFVXSQXUHPI-NBVRZTHBSA-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 Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenol ethers Phenoxy compounds Secondary alcohols Secondary carboxylic acid amides Alcohol Alkyl aryl ether Aromatic heteromonocyclic compound Benzamide Benzoyl Carboxamide group Carboxylic acid derivative Dialkyl ether Ether Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxirane Phenol ether Phenoxy compound Secondary alcohol Secondary carboxylic acid amide logp 3.74 ALOGPS logs -5.37 ALOGPS solubility 1.76e-03 g/l ALOGPS melting_point Mp 146-149° (141-143°) logp 3.64 ChemAxon pka_strongest_acidic 14.4 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac N-[2-(4-{[(2E)-5-(3,3-dimethyloxiran-2-yl)-4-hydroxy-3-methylpent-2-en-1-yl]oxy}phenyl)ethyl]benzamide ChemAxon average_mass 409.5179 ChemAxon mono_mass 409.225308485 ChemAxon smiles C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC1OC1(C)C ChemAxon formula C25H31NO4 ChemAxon inchi InChI=1S/C25H31NO4/c1-18(22(27)17-23-25(2,3)30-23)14-16-29-21-11-9-19(10-12-21)13-15-26-24(28)20-7-5-4-6-8-20/h4-12,14,22-23,27H,13,15-17H2,1-3H3,(H,26,28)/b18-14+ ChemAxon inchikey QQKKFVXSQXUHPI-NBVRZTHBSA-N ChemAxon polar_surface_area 71.09 ChemAxon refractivity 119.09 ChemAxon polarizability 47.37 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18958 Specdb::CMs 46969 Specdb::CMs 146153 Specdb::MsMs 308122 Specdb::MsMs 308123 Specdb::MsMs 308124 Specdb::MsMs 352234 Specdb::MsMs 352235 Specdb::MsMs 352236 Specdb::MsMs 2366563 Specdb::MsMs 2366564 Specdb::MsMs 2366565 Specdb::MsMs 2599365 Specdb::MsMs 2599366 Specdb::MsMs 2599367 HMDB40793 #<Reference:0x000055ce330e3b00> Beverages Unknown generic Fruits Unknown generic