1.0 2010-04-08 22:04:37 UTC 2025-11-18 22:19:48 UTC FDB000568 L-DOPA 3'-glucoside Isolated from Pisum sativum (peas) and Vicia faba. L-DOPA 3'-glucoside is found in pulses and common pea. L-DOPA 3'-glucoside L-DOPA 3'-O-b-D-glucopyranoside C15H21NO9 359.3285 359.121631275 2-amino-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid 2-amino-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid 2275-95-8 NC(CC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1)C(O)=O InChI=1S/C15H21NO9/c16-7(14(22)23)3-6-1-2-8(18)9(4-6)24-15-13(21)12(20)11(19)10(5-17)25-15/h1-2,4,7,10-13,15,17-21H,3,5,16H2,(H,22,23) NIMVDZOWEYJNTR-UHFFFAOYSA-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alpha amino acids Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Phenylalanine and derivatives Phenylpropanoic acids Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Acetal Alcohol Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Phenylalanine or derivatives Polyol Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol Tyrosine or derivatives logp -2.46 ALOGPS logs -1.53 ALOGPS solubility 1.05e+01 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 1.39 ChemAxon pka_strongest_basic 9.29 ChemAxon iupac 2-amino-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid ChemAxon average_mass 359.3285 ChemAxon mono_mass 359.121631275 ChemAxon smiles NC(CC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1)C(O)=O ChemAxon formula C15H21NO9 ChemAxon inchi InChI=1S/C15H21NO9/c16-7(14(22)23)3-6-1-2-8(18)9(4-6)24-15-13(21)12(20)11(19)10(5-17)25-15/h1-2,4,7,10-13,15,17-21H,3,5,16H2,(H,22,23) ChemAxon inchikey NIMVDZOWEYJNTR-UHFFFAOYSA-N ChemAxon polar_surface_area 182.93 ChemAxon refractivity 81.22 ChemAxon polarizability 33.72 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 109018 Specdb::NmrOneD 109019 Specdb::NmrOneD 109020 Specdb::NmrOneD 109021 Specdb::NmrOneD 109022 Specdb::NmrOneD 109023 Specdb::NmrOneD 109024 Specdb::NmrOneD 109025 Specdb::NmrOneD 109026 Specdb::NmrOneD 109027 Specdb::NmrOneD 109028 Specdb::NmrOneD 109029 Specdb::NmrOneD 109030 Specdb::NmrOneD 109031 Specdb::NmrOneD 109032 Specdb::NmrOneD 109033 Specdb::NmrOneD 109034 Specdb::NmrOneD 109035 Specdb::NmrOneD 109036 Specdb::NmrOneD 109037 Specdb::CMs 11386 Specdb::CMs 41371 Specdb::CMs 146137 Specdb::CMs 149771 Specdb::CMs 149773 Specdb::CMs 149775 Specdb::CMs 149777 Specdb::CMs 149779 Specdb::CMs 279757 Specdb::MsMs 63222 Specdb::MsMs 63223 Specdb::MsMs 63224 Specdb::MsMs 120141 Specdb::MsMs 120142 Specdb::MsMs 120143 Specdb::MsMs 2432884 Specdb::MsMs 2432885 Specdb::MsMs 2432886 Specdb::MsMs 2502713 Specdb::MsMs 2502714 Specdb::MsMs 2502715 HMDB29452 #<Reference:0x000055ce330f5ee0> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic