1.0 2010-04-08 22:15:40 UTC 2019-11-26 03:20:18 UTC FDB021384 4,4''-bis(N-feruloyl)serotonin From Carthamus tinctorius oil cake. 4,4''-bis(N-feruloyl)serotonin is found in fats and oils and herbs and spices. (4-Chlorophenyl)-sulfamoyl azide (P-Chlorophenyl)-sulfamoyl azide (p-chlorophenyl)sulfamoyl azide 4-Chlorophenylaminosulfonyl azide 4,4''-Bi[N-(4-hydroxy-3-methoxycinnamoyl)serotonin] 4,4''-Bis(N-feruloyl)serotonin N-(p-chlorophenyl)sulfamoyl azide Sulfamoyl azide, (4-chlorophenyl)- Sulfamoyl azide, (4-chlorophenyl)- (9CI) Sulfamoyl azide, (p-chlorophenyl)- C40H38N4O8 702.7517 702.268964212 (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)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-hydroxy-3-methoxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}prop-2-enamide 175702-03-1 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(OC)=C(O)C=C2)=CN3)=C1 InChI=1S/C40H38N4O8/c1-51-33-19-23(3-9-29(33)45)5-13-35(49)41-17-15-25-21-43-27-7-11-31(47)39(37(25)27)40-32(48)12-8-28-38(40)26(22-44-28)16-18-42-36(50)14-6-24-4-10-30(46)34(20-24)52-2/h3-14,19-22,43-48H,15-18H2,1-2H3,(H,41,49)(H,42,50)/b13-5+,14-6+ URHRFQQPWDNDQE-ACFHMISVSA-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 logp 4.96 ALOGPS logs -5.76 ALOGPS solubility 1.22e-03 g/l ALOGPS melting_point Mp 158-160° logp 5.47 ChemAxon pka_strongest_acidic 8.68 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-hydroxy-3-methoxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}prop-2-enamide ChemAxon average_mass 702.7517 ChemAxon mono_mass 702.268964212 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(OC)=C(O)C=C2)=CN3)=C1 ChemAxon formula C40H38N4O8 ChemAxon inchi InChI=1S/C40H38N4O8/c1-51-33-19-23(3-9-29(33)45)5-13-35(49)41-17-15-25-21-43-27-7-11-31(47)39(37(25)27)40-32(48)12-8-28-38(40)26(22-44-28)16-18-42-36(50)14-6-24-4-10-30(46)34(20-24)52-2/h3-14,19-22,43-48H,15-18H2,1-2H3,(H,41,49)(H,42,50)/b13-5+,14-6+ ChemAxon inchikey URHRFQQPWDNDQE-ACFHMISVSA-N ChemAxon polar_surface_area 189.16 ChemAxon refractivity 200.39 ChemAxon polarizability 72.54 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 8 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 291811 Specdb::MsMs 291812 Specdb::MsMs 291813 Specdb::MsMs 331819 Specdb::MsMs 331820 Specdb::MsMs 331821 Specdb::MsMs 2395968 Specdb::MsMs 2395969 Specdb::MsMs 2395970 Specdb::MsMs 2539685 Specdb::MsMs 2539686 Specdb::MsMs 2539687 Specdb::CMs 65206 Specdb::CMs 749592 Specdb::CMs 749593 Specdb::CMs 749594 Specdb::CMs 749595 Specdb::CMs 749596 Specdb::CMs 749597 Specdb::CMs 749598 Specdb::CMs 749599 Specdb::CMs 749600 Specdb::CMs 749601 Specdb::CMs 749602 Specdb::CMs 749603 Specdb::CMs 749604 Specdb::CMs 749605 Specdb::CMs 749606 Specdb::CMs 749607 Specdb::CMs 749608 Specdb::CMs 749609 Specdb::CMs 749610 Specdb::CMs 749611 Specdb::CMs 749612 Specdb::CMs 749613 Specdb::CMs 749614 Specdb::CMs 749615 HMDB41433 #<Reference:0x000055ce33573c38> Fats and oils Unknown generic Herbs and Spices Unknown generic