1.0 2010-04-08 22:15:44 UTC 2019-11-26 03:20:27 UTC FDB021495 Nb-trans-p-Coumaroylserotonin Alkaloid from Carthamus tinctorius (safflower). Nb-trans-p-Coumaroylserotonin is found in fats and oils and herbs and spices. Ipobscurine A N6-cis-P-Coumaroylserotonin Nb-p-Coumaroylserotonin Nb-trans-p-Coumaroylserotonin C19H18N2O3 322.3578 322.131742452 (2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide (2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide 68573-24-0 OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)C=C1 InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+ WLZPAFGVOWCVMG-FPYGCLRLSA-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 Azacyclic compounds Carbonyl compounds Cinnamic acid amides Coumaric acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Hydroxyindoles Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Styrenes Substituted pyrroles 1-hydroxy-2-unsubstituted benzenoid 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Cinnamic acid or derivatives Coumaric acid or derivatives Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyindole Indole Monocyclic benzene moiety N-acylserotonin Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Pyrrole Secondary carboxylic acid amide Styrene Substituted pyrrole logp 3.01 ALOGPS logs -4.76 ALOGPS solubility 5.62e-03 g/l ALOGPS logp 3.06 ChemAxon pka_strongest_acidic 9.18 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac (2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide ChemAxon average_mass 322.3578 ChemAxon mono_mass 322.131742452 ChemAxon smiles OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)C=C1 ChemAxon formula C19H18N2O3 ChemAxon inchi InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+ ChemAxon inchikey WLZPAFGVOWCVMG-FPYGCLRLSA-N ChemAxon polar_surface_area 85.35 ChemAxon refractivity 94.19 ChemAxon polarizability 35.27 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59622 Specdb::MsMs 59623 Specdb::MsMs 59624 Specdb::MsMs 115800 Specdb::MsMs 115801 Specdb::MsMs 115802 Specdb::MsMs 2338680 Specdb::MsMs 2338681 Specdb::MsMs 2338682 Specdb::MsMs 2623598 Specdb::MsMs 2623599 Specdb::MsMs 2623600 Specdb::CMs 12945 Specdb::CMs 45773 Specdb::CMs 133478 Specdb::CMs 141212 HMDB38340 #<Reference:0x000055ce32653cd0> Fats and oils Unknown generic Herbs and Spices Unknown generic