1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:02 UTC FDB010726 Nb-trans-Feruloylserotonin Alkaloid from Carthamus tinctorius (safflower). Nb-trans-Feruloylserotonin is found in fats and oils and herbs and spices. Moschamine N-(Feruloyl)-serotonin (I) N-Feruloylserotonin Nb-(E)-Feruloylserotonin Nb-trans-Feruloylserotonin Tryptamine, N-feruloyl C20H20N2O4 352.3838 352.142307138 (2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide 68573-23-9 COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)=CC=C1O InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+ WGHKJYWENWLOMY-XVNBXDOJSA-N belongs to the class of organic compounds known as n-acylserotonins. These are aromatic heterocyclic compounds containing a serotonin, in which the amine group is acylated. N-acylserotonins Organic compounds Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3-alkylindoles Alkyl aryl ethers Anisoles Azacyclic compounds Carbonyl compounds Cinnamic acid amides Heteroaromatic compounds Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Hydroxyindoles Methoxybenzenes Methoxyphenols Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides Styrenes Substituted pyrroles 1-hydroxy-2-unsubstituted benzenoid 3-alkylindole Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Cinnamic acid or derivatives Ether Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyindole Indole Methoxybenzene Methoxyphenol Monocyclic benzene moiety N-acylserotonin Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Pyrrole Secondary carboxylic acid amide Styrene Substituted pyrrole cinnamamides hydroxyindoles logp 2.91 ALOGPS logs -4.66 ALOGPS solubility 7.78e-03 g/l ALOGPS melting_point Mp 115-117° logp 2.9 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac (2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide ChemAxon average_mass 352.3838 ChemAxon mono_mass 352.142307138 ChemAxon smiles COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)=CC=C1O ChemAxon formula C20H20N2O4 ChemAxon inchi InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+ ChemAxon inchikey WGHKJYWENWLOMY-XVNBXDOJSA-N ChemAxon polar_surface_area 94.58 ChemAxon refractivity 100.66 ChemAxon polarizability 38.18 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25949 Specdb::CMs 42946 Specdb::CMs 134011 Specdb::CMs 141745 Specdb::MsMs 97488 Specdb::MsMs 97489 Specdb::MsMs 97490 Specdb::MsMs 162219 Specdb::MsMs 162220 Specdb::MsMs 162221 Specdb::MsMs 2735993 Specdb::MsMs 2735994 Specdb::MsMs 2735995 Specdb::MsMs 2973852 Specdb::MsMs 2973853 Specdb::MsMs 2973854 HMDB32759 #<Reference:0x000055ce30242080> Fats and oils Unknown generic Herbs and Spices Unknown generic