1.0 2010-04-08 22:15:39 UTC 2019-11-26 03:20:18 UTC FDB021383 4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin From Carthamus tinctorius oil cake. 4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin is found in fats and oils and herbs and spices. 4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin Glutathione diethyl ester Glycine, n-(n-l-gamma-glutamyl-l-cysteinyl)-, diethyl ester C39H36N4O7 672.7257 672.258399526 (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}prop-2-enamide (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}prop-2-enamide 175702-02-0 COC1=C(O)C=CC(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)=CN3)=C1 InChI=1S/C39H36N4O7/c1-50-33-20-24(4-11-30(33)45)6-15-35(49)41-19-17-26-22-43-29-10-13-32(47)39(37(26)29)38-31(46)12-9-28-36(38)25(21-42-28)16-18-40-34(48)14-5-23-2-7-27(44)8-3-23/h2-15,20-22,42-47H,16-19H2,1H3,(H,40,48)(H,41,49)/b14-5+,15-6+ ZPNFTINOYMQICL-PWSZKDBUSA-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 Coumaric acids and derivatives Heteroaromatic compounds Hydrocarbon 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 Coumaric 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 logp 4.95 ALOGPS logs -5.81 ALOGPS solubility 1.05e-03 g/l ALOGPS melting_point Mp 179-181° logp 5.63 ChemAxon pka_strongest_acidic 8.63 ChemAxon pka_strongest_basic 1.51 ChemAxon iupac (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}prop-2-enamide ChemAxon average_mass 672.7257 ChemAxon mono_mass 672.258399526 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)NCCC2=CNC3=C2C(=C(O)C=C3)C2=C(O)C=CC3=C2C(CCNC(=O)\C=C\C2=CC=C(O)C=C2)=CN3)=C1 ChemAxon formula C39H36N4O7 ChemAxon inchi InChI=1S/C39H36N4O7/c1-50-33-20-24(4-11-30(33)45)6-15-35(49)41-19-17-26-22-43-29-10-13-32(47)39(37(26)29)38-31(46)12-9-28-36(38)25(21-42-28)16-18-40-34(48)14-5-23-2-7-27(44)8-3-23/h2-15,20-22,42-47H,16-19H2,1H3,(H,40,48)(H,41,49)/b14-5+,15-6+ ChemAxon inchikey ZPNFTINOYMQICL-PWSZKDBUSA-N ChemAxon polar_surface_area 179.93 ChemAxon refractivity 193.93 ChemAxon polarizability 69.79 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 7 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 64094 Specdb::CMs 704057 Specdb::CMs 704058 Specdb::CMs 704059 Specdb::CMs 704060 Specdb::CMs 704061 Specdb::CMs 704062 Specdb::CMs 704063 Specdb::CMs 704064 Specdb::CMs 704065 Specdb::CMs 704066 Specdb::CMs 704067 Specdb::CMs 704068 Specdb::CMs 704069 Specdb::CMs 704070 Specdb::CMs 704071 Specdb::CMs 704072 Specdb::CMs 704073 Specdb::CMs 704074 Specdb::CMs 704075 Specdb::CMs 704076 Specdb::CMs 704077 Specdb::CMs 704078 Specdb::CMs 704079 Specdb::CMs 704080 Specdb::MsMs 310420 Specdb::MsMs 310421 Specdb::MsMs 310422 Specdb::MsMs 355141 Specdb::MsMs 355142 Specdb::MsMs 355143 Specdb::MsMs 2672723 Specdb::MsMs 2672724 Specdb::MsMs 2672725 Specdb::MsMs 3032480 Specdb::MsMs 3032481 Specdb::MsMs 3032482 HMDB41432 #<Reference:0x000055ce304bcce8> Fats and oils Unknown generic Herbs and Spices Unknown generic