1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:10 UTC FDB020591 Aegle marmelos Alkaloid C Alkaloid from leaves of Aegle marmelos (bael). Aegle marmelos Alkaloid C is found in fruits. Aegle marmelos Alkaloid C C23H27NO3 365.4654 365.199093735 (2Z)-N-(2-methoxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-phenylprop-2-enamide (2Z)-N-(2-methoxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-phenylprop-2-enamide 70546-92-8 COC(CNC(=O)\C=C/C1=CC=CC=C1)C1=CC=C(OCC=C(C)C)C=C1 InChI=1S/C23H27NO3/c1-18(2)15-16-27-21-12-10-20(11-13-21)22(26-3)17-24-23(25)14-9-19-7-5-4-6-8-19/h4-15,22H,16-17H2,1-3H3,(H,24,25)/b14-9- MLCNANOYWKNAAF-ZROIWOOFSA-N belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Cinnamic acid amides Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid amides Aromatic homomonocyclic compounds Alkyl aryl ethers Benzylethers Carbonyl compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Secondary carboxylic acid amides Styrenes Alkyl aryl ether Aromatic homomonocyclic compound Benzenoid Benzylether Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Dialkyl ether Ether Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary carboxylic acid amide Styrene logp 3.92 ALOGPS logs -5.67 ALOGPS solubility 7.84e-04 g/l ALOGPS melting_point Mp 110° logp 4.49 ChemAxon pka_strongest_acidic 15.55 ChemAxon pka_strongest_basic 1.11 ChemAxon iupac (2Z)-N-(2-methoxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-phenylprop-2-enamide ChemAxon average_mass 365.4654 ChemAxon mono_mass 365.199093735 ChemAxon smiles COC(CNC(=O)\C=C/C1=CC=CC=C1)C1=CC=C(OCC=C(C)C)C=C1 ChemAxon formula C23H27NO3 ChemAxon inchi InChI=1S/C23H27NO3/c1-18(2)15-16-27-21-12-10-20(11-13-21)22(26-3)17-24-23(25)14-9-19-7-5-4-6-8-19/h4-15,22H,16-17H2,1-3H3,(H,24,25)/b14-9- ChemAxon inchikey MLCNANOYWKNAAF-ZROIWOOFSA-N ChemAxon polar_surface_area 47.56 ChemAxon refractivity 110.69 ChemAxon polarizability 42.05 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16148 Specdb::CMs 170094 Specdb::MsMs 301792 Specdb::MsMs 301793 Specdb::MsMs 301794 Specdb::MsMs 344356 Specdb::MsMs 344357 Specdb::MsMs 344358 Specdb::MsMs 2381837 Specdb::MsMs 2381838 Specdb::MsMs 2381839 Specdb::MsMs 2581275 Specdb::MsMs 2581276 Specdb::MsMs 2581277 HMDB40775 #<Reference:0x000055ce3215f760> Fruits Unknown generic