1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:07 UTC FDB019110 N-Jasmonoyltyrosine Constituent of the flowers of Vicia faba. N-Jasmonoyltyrosine is found in pulses. N-Jasmonoyltyrosine C21H27NO5 373.4428 373.188922979 3-(4-hydroxyphenyl)-2-(2-{3-oxo-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetamido)propanoic acid 3-(4-hydroxyphenyl)-2-(2-{3-oxo-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetamido)propanoic acid 105801-18-1 CC\C=C\CC1C(CC(=O)NC(CC2=CC=C(O)C=C2)C(O)=O)CCC1=O InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3+ SLWSWKGGZQCLDU-ONEGZZNKSA-N belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tyrosine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Amphetamines and derivatives Carboxylic acids Cyclic ketones Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Secondary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Cyclic ketone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety 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 Phenol Phenylalanine or derivatives Secondary carboxylic acid amide Tyrosine or derivatives logp 2.80 ALOGPS logs -4.18 ALOGPS solubility 2.44e-02 g/l ALOGPS logp 3.23 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -0.34 ChemAxon iupac 3-(4-hydroxyphenyl)-2-(2-{3-oxo-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetamido)propanoic acid ChemAxon average_mass 373.4428 ChemAxon mono_mass 373.188922979 ChemAxon smiles CC\C=C\CC1C(CC(=O)NC(CC2=CC=C(O)C=C2)C(O)=O)CCC1=O ChemAxon formula C21H27NO5 ChemAxon inchi InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3+ ChemAxon inchikey SLWSWKGGZQCLDU-ONEGZZNKSA-N ChemAxon polar_surface_area 103.7 ChemAxon refractivity 102.45 ChemAxon polarizability 39.78 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16455 Specdb::CMs 46437 Specdb::CMs 157877 Specdb::MsMs 59598 Specdb::MsMs 59599 Specdb::MsMs 59600 Specdb::MsMs 115764 Specdb::MsMs 115765 Specdb::MsMs 115766 Specdb::MsMs 2796584 Specdb::MsMs 2796585 Specdb::MsMs 2796586 Specdb::MsMs 2886257 Specdb::MsMs 2886258 Specdb::MsMs 2886259 HMDB39503 #<Reference:0x000055ce33624d08> Pulses Unknown generic