1.0 2020-04-02 17:47:02 UTC 2025-11-19 03:07:48 UTC FDB097304 Lampranthin II C27H30O16 610.5175 610.153384912 (2S)-2-carboxy-1-{2-[(2S)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium (2S)-2-carboxy-1-{2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1 LKZDFKLGDGSGEO-UJECXLDQSA-N belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Glutamic acid and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Allylamines Amino acids Amino fatty acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Dihydropyridinecarboxylic acids and derivatives Enamines Hydrocarbon derivatives Ketimines L-alpha-amino acids Organic oxides Propargyl-type 1,3-dipolar organic compounds Tetracarboxylic acids and derivatives Aliphatic heteromonocyclic compound Allylamine Alpha-amino acid Amine Amino acid Amino fatty acid Azacycle Carbonyl group Carboxylic acid Dihydropyridine Dihydropyridinecarboxylic acid derivative Enamine Fatty acyl Glutamic acid or derivatives Hydrocarbon derivative Hydropyridine Imine Ketimine L-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Tetracarboxylic acid or derivatives logp 1.48 ALOGPS logs -4.22 ALOGPS solubility 4.75e-02 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 1.46 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S)-2-carboxy-1-{2-[(2S)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium ChemAxon average_mass 610.5175 ChemAxon mono_mass 610.153384912 ChemAxon smiles OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C27H30O16 ChemAxon inchi InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1 ChemAxon inchikey LKZDFKLGDGSGEO-UJECXLDQSA-N ChemAxon polar_surface_area 284.91 ChemAxon refractivity 197.43 ChemAxon polarizability 71.34 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 16 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 240706 Specdb::MsMs 240707 Specdb::MsMs 240708 Specdb::MsMs 242761 Specdb::MsMs 242762 Specdb::MsMs 242763 Milk (Cow) Type 2 specific 0.7 0.74 0.66 uM Swiss chard Type 1 specific Beta vulgaris ssp. cicla 1527200