1.0 2010-04-08 22:04:49 UTC 2020-02-24 19:10:19 UTC FDB001056 Vulgaxanthin II Yellow pigment from beetroot (Beta vulgaris). Vulgaxanthin II is found in red beetroot, common beet, and root vegetables. 4-[[(1,3-Dicarboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid, 9CI Vulgaxanthin-II C14H16N2O8 340.2854 340.090665498 (4Z)-4-[(2E)-2-[(1,3-dicarboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid (4Z)-4-[(2E)-2-[(1,3-dicarboxypropyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 1047-87-6 OC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,15-4+ POYIZOSTYKKRNT-XWKOYBCNSA-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 Alpha amino acids Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Shiff bases Tetracarboxylic acids and derivatives Tetrahydropyridines Aldimine Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Azacycle Carbonyl group Carboxylic acid Enamine Glutamic acid or derivatives Hydrocarbon derivative Hydropyridine Imine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Shiff base Tetracarboxylic acid or derivatives Tetrahydropyridine logp 0.47 ALOGPS logs -3.21 ALOGPS solubility 2.08e-01 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 1.54 ChemAxon pka_strongest_basic 8.58 ChemAxon iupac (4Z)-4-[(2E)-2-[(1,3-dicarboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 340.2854 ChemAxon mono_mass 340.090665498 ChemAxon smiles OC(=O)CCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O ChemAxon formula C14H16N2O8 ChemAxon inchi InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,15-4+ ChemAxon inchikey POYIZOSTYKKRNT-XWKOYBCNSA-N ChemAxon polar_surface_area 173.59 ChemAxon refractivity 79.1 ChemAxon polarizability 31.41 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10242 Specdb::CMs 41585 Specdb::CMs 155859 Specdb::MsMs 108714 Specdb::MsMs 108715 Specdb::MsMs 108716 Specdb::MsMs 176004 Specdb::MsMs 176005 Specdb::MsMs 176006 Specdb::MsMs 2443612 Specdb::MsMs 2443613 Specdb::MsMs 2443614 Specdb::MsMs 2521992 Specdb::MsMs 2521993 Specdb::MsMs 2521994 Specdb::NmrOneD 16362 Specdb::NmrOneD 16363 Specdb::NmrOneD 16364 Specdb::NmrOneD 16365 Specdb::NmrOneD 16366 Specdb::NmrOneD 16367 Specdb::NmrOneD 16368 Specdb::NmrOneD 16369 Specdb::NmrOneD 16370 Specdb::NmrOneD 16371 Specdb::NmrOneD 16372 Specdb::NmrOneD 16373 Specdb::NmrOneD 16374 Specdb::NmrOneD 16375 Specdb::NmrOneD 16376 Specdb::NmrOneD 16377 Specdb::NmrOneD 16378 Specdb::NmrOneD 16379 Specdb::NmrOneD 16380 Specdb::NmrOneD 16381 HMDB29841 #<Reference:0x000055ce334692e8> Common beet Type 1 specific Beta vulgaris 161934 Red beetroot Type 1 specific Beta vulgaris var. rubra Root vegetables Unknown generic