1.0 2020-04-02 17:34:31 UTC 2025-11-19 03:07:39 UTC FDB097217 5-Hydroxynorvaline-betaxanthin C14H8Cl4 318.02 315.9380111 (2R,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-4-hydroxybutyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid humilixanthin ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H ZDYJWDIWLRZXDB-UHFFFAOYSA-N belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. D-alpha-amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Propargyl-type 1,3-dipolar organic compounds Shiff bases Tetrahydropyridines Tricarboxylic acids and derivatives Alcohol Aldimine Aliphatic heteromonocyclic compound Amine Amino acid Azacycle Carbonyl group Carboxylic acid D-alpha-amino acid Enamine 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 Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Shiff base Tetrahydropyridine Tricarboxylic acid or derivatives Betaxanthins non-proteinogenic alpha-amino acid logp 0.34 ALOGPS logs -3.06 ALOGPS solubility 2.85e-01 g/l ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 1.69 ChemAxon pka_strongest_basic 8.67 ChemAxon iupac (2R,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-4-hydroxybutyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 318.02 ChemAxon mono_mass 315.9380111 ChemAxon smiles ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl ChemAxon formula C14H8Cl4 ChemAxon inchi InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H ChemAxon inchikey ZDYJWDIWLRZXDB-UHFFFAOYSA-N ChemAxon polar_surface_area 156.52 ChemAxon refractivity 79.37 ChemAxon polarizability 31.44 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5817 Specdb::MsMs 240712 Specdb::MsMs 240713 Specdb::MsMs 240714 Specdb::MsMs 242767 Specdb::MsMs 242768 Specdb::MsMs 242769 Milk (Cow) Type 2 specific 71.058944 252.0 0.00472 uM