1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:02 UTC FDB010728 Nb-trans-Feruloylserotonin glucoside Alkaloid from Carthamus tinctorius (safflower). Nb-trans-Feruloylserotonin glucoside is found in fats and oils and herbs and spices. Nb-(4-Hydroxy-3-methoxy-E-cinnamoyl)-5-hydroxytryptamine O-b-D-glucopyranoside Nb-trans-Feruloylserotonin glucoside Nb-trans-Feruloylserotonin O-b-D-glucopyranoside C26H30N2O9 514.5244 514.195130568 (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)=CC=C1O InChI=1S/C26H30N2O9/c1-35-20-10-14(2-6-19(20)30)3-7-22(31)27-9-8-15-12-28-18-5-4-16(11-17(15)18)36-26-25(34)24(33)23(32)21(13-29)37-26/h2-7,10-12,21,23-26,28-30,32-34H,8-9,13H2,1H3,(H,27,31)/b7-3+ RZBNXMNICVMBNE-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 1.59 ALOGPS logs -3.40 ALOGPS solubility 2.03e-01 g/l ALOGPS melting_point Mp 143-145° logp 0.63 ChemAxon pka_strongest_acidic 9.89 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide ChemAxon average_mass 514.5244 ChemAxon mono_mass 514.195130568 ChemAxon smiles COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)=CC=C1O ChemAxon formula C26H30N2O9 ChemAxon inchi InChI=1S/C26H30N2O9/c1-35-20-10-14(2-6-19(20)30)3-7-22(31)27-9-8-15-12-28-18-5-4-16(11-17(15)18)36-26-25(34)24(33)23(32)21(13-29)37-26/h2-7,10-12,21,23-26,28-30,32-34H,8-9,13H2,1H3,(H,27,31)/b7-3+ ChemAxon inchikey RZBNXMNICVMBNE-XVNBXDOJSA-N ChemAxon polar_surface_area 173.73 ChemAxon refractivity 132.8 ChemAxon polarizability 53.68 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11701 Specdb::CMs 42948 Specdb::MsMs 71916 Specdb::MsMs 71917 Specdb::MsMs 71918 Specdb::MsMs 130692 Specdb::MsMs 130693 Specdb::MsMs 130694 Specdb::MsMs 2832522 Specdb::MsMs 2832523 Specdb::MsMs 2832524 Specdb::MsMs 2850484 Specdb::MsMs 2850485 Specdb::MsMs 2850486 HMDB32761 #<Reference:0x000055ce335b7168> Fats and oils Unknown generic Herbs and Spices Unknown generic