1.0 2010-04-08 22:07:27 UTC 2025-11-18 23:03:54 UTC FDB007113 Isodityrosine Isodityrosine belongs to tyrosine and derivatives class of compounds. Those 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. Isodityrosine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Isodityrosine can be found in potato, which makes isodityrosine a potential biomarker for the consumption of this food product. L-tyrosine, O-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)- C18H20N2O6 360.3612 360.132136382 (2S)-2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl}propanoic acid (2S)-2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl}propanoic acid N[C@@H](CC1=CC=C(OC2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O InChI=1S/C18H20N2O6/c19-13(17(22)23)7-10-1-4-12(5-2-10)26-16-9-11(3-6-15(16)21)8-14(20)18(24)25/h1-6,9,13-14,21H,7-8,19-20H2,(H,22,23)(H,24,25)/t13-,14?/m0/s1 FWZXNPNHUWFOCM-LSLKUGRBSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -3.23 ALOGPS logs -3.96 ALOGPS solubility 3.96e-02 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic 9.78 ChemAxon iupac (2S)-2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl}propanoic acid ChemAxon average_mass 360.3612 ChemAxon mono_mass 360.132136382 ChemAxon smiles N[C@@H](CC1=CC=C(OC2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O ChemAxon formula C18H20N2O6 ChemAxon inchi InChI=1S/C18H20N2O6/c19-13(17(22)23)7-10-1-4-12(5-2-10)26-16-9-11(3-6-15(16)21)8-14(20)18(24)25/h1-6,9,13-14,21H,7-8,19-20H2,(H,22,23)(H,24,25)/t13-,14?/m0/s1 ChemAxon inchikey FWZXNPNHUWFOCM-LSLKUGRBSA-N ChemAxon polar_surface_area 156.1 ChemAxon refractivity 92.4 ChemAxon polarizability 36.24 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85656 Specdb::MsMs 85657 Specdb::MsMs 85658 Specdb::MsMs 147792 Specdb::MsMs 147793 Specdb::MsMs 147794 Specdb::MsMs 3603662 Specdb::MsMs 3603663 Specdb::MsMs 3603664 Specdb::MsMs 3603665 Specdb::MsMs 3603666 Specdb::MsMs 3603667 Potato Type 1 specific Solanum tuberosum 4113