1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:02 UTC FDB010727 Nb-trans-p-Coumaroylserotonin glucoside Alkaloid from Carthamus tinctorius (safflower) [DFC]. Nb-trans-p-Coumaroylserotonin glucoside is found in fats and oils and herbs and spices. 5-Hydroxytryptamine Nb-(4-Hydroxy-E-cinnamoyl)-5-hydroxytryptamine O-b-D-glucopyranoside Nb-(4-Hydroxy-E-cinnamoyl)-serotonin O-b-D-glucopyranoside Nb-trans-p-Coumaroylserotonin glucoside Nb-trans-p-Coumaroylserotonin O-b-D-glucopyranoside C25H28N2O8 484.4984 484.184565882 (2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide (2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide 76423-56-8 OCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+ LPGWQGDUKIPAME-FPYGCLRLSA-N belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Arginine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Guanidines Hydrocarbon derivatives Imines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Arginine or derivatives Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Guanidine Hydrocarbon derivative Imine N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide logp 1.48 ALOGPS logs -3.32 ALOGPS solubility 2.31e-01 g/l ALOGPS melting_point Mp 240-242° logp 0.79 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac (2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide ChemAxon average_mass 484.4984 ChemAxon mono_mass 484.184565882 ChemAxon smiles OCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O ChemAxon formula C25H28N2O8 ChemAxon inchi InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+ ChemAxon inchikey LPGWQGDUKIPAME-FPYGCLRLSA-N ChemAxon polar_surface_area 164.5 ChemAxon refractivity 126.34 ChemAxon polarizability 50.82 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93942 Specdb::MsMs 93943 Specdb::MsMs 93944 Specdb::MsMs 157827 Specdb::MsMs 157828 Specdb::MsMs 157829 Specdb::MsMs 2366983 Specdb::MsMs 2366984 Specdb::MsMs 2366985 Specdb::MsMs 2598214 Specdb::MsMs 2598215 Specdb::MsMs 2598216 Specdb::CMs 20487 Specdb::CMs 42947 Specdb::CMs 131065 Specdb::CMs 138799 HMDB32760 #<Reference:0x000055ce332f0a10> #<Reference:0x000055ce332f0808> Fats and oils Unknown generic Herbs and Spices Unknown generic