1.0 2010-04-08 22:07:25 UTC 2025-11-18 23:03:32 UTC FDB007040 Nigrin B Nigrin b, also known as rufocromomycin or nigrin, is a member of the class of compounds known as bipyridines and oligopyridines. Bipyridines and oligopyridines are organic compounds containing two pyridine rings linked to each other. Nigrin b is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Nigrin b can be found in black elderberry, which makes nigrin b a potential biomarker for the consumption of this food product. rRNA N-glycosylase (EC 3.2.2.22, ribosomal ribonucleate N-glycosidase, nigrin b, RNA N-glycosidase, rRNA N-glycosidase, ricin, momorcochin-S, Mirabilis antiviral protein, gelonin, saporins) is an enzyme with systematic name rRNA N-glycohydrolase. This enzyme catalyses the following chemical reaction Hydrolysis of the N-glycosylic bond at A-4324 in 28S rRNA from eukaryotic ribosomes . C25H22N4O8 506.471 506.143763684 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid nigrin 3930-19-6 COC1=CC=C(C(O)=C1OC)C1=C(N)C(=NC(C(O)=O)=C1C)C1=CC=C2C(=O)C(OC)=C(N)C(=O)C2=N1 InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34) PVYJZLYGTZKPJE-UHFFFAOYSA-N belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. Bipyridines and oligopyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Bipyridines and oligopyridines Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Amino acids Aminopyridines and derivatives Anisoles Aryl ketones Azacyclic compounds Carboxylic acids Dimethoxybenzenes Enamines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Methoxyphenols Methylpyridines Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenoxy compounds Phenylpyridines Pyridinecarboxylic acids Quinoline quinones Vinylogous amides Vinylogous esters 1-hydroxy-4-unsubstituted benzenoid 4-phenylpyridine Alkyl aryl ether Amine Amino acid Amino acid or derivatives Aminopyridine Anisole Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Bipyridine Carboxylic acid Carboxylic acid derivative Dihydroquinoline Dimethoxybenzene Enamine Ether Heteroaromatic compound Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Methylpyridine Monocarboxylic acid or derivatives Monocyclic benzene moiety O-dimethoxybenzene Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Primary aliphatic amine Primary amine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline quinone Vinylogous amide Vinylogous ester pyridines quinolone logp 2.40 ALOGPS logs -4.10 ALOGPS solubility 4.02e-02 g/l ALOGPS logp 0.26 ChemAxon pka_strongest_acidic 1.17 ChemAxon pka_strongest_basic 4.65 ChemAxon iupac 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid ChemAxon average_mass 506.471 ChemAxon mono_mass 506.143763684 ChemAxon smiles COC1=CC=C(C(O)=C1OC)C1=C(N)C(=NC(C(O)=O)=C1C)C1=CC=C2C(=O)C(OC)=C(N)C(=O)C2=N1 ChemAxon formula C25H22N4O8 ChemAxon inchi InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34) ChemAxon inchikey PVYJZLYGTZKPJE-UHFFFAOYSA-N ChemAxon polar_surface_area 197.18 ChemAxon refractivity 132.9 ChemAxon polarizability 51.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 76659 Specdb::MsMs 76660 Specdb::MsMs 76661 Specdb::MsMs 136557 Specdb::MsMs 136558 Specdb::MsMs 136559 Specdb::CMs 983819 Specdb::CMs 983820 Specdb::CMs 983821 Specdb::CMs 983822 Specdb::CMs 983823 Specdb::CMs 983824 Specdb::CMs 983825 Specdb::CMs 983826 Specdb::CMs 983827 Specdb::CMs 983828 Specdb::CMs 983829 Specdb::CMs 983830 Specdb::CMs 983831 Specdb::CMs 983832 Specdb::CMs 983833 Specdb::CMs 983834 Specdb::CMs 983835 Specdb::CMs 983836 Specdb::CMs 983837 Specdb::CMs 983838 Specdb::CMs 983839 Specdb::CMs 983840 Specdb::CMs 983841 Specdb::CMs 983842 Black elderberry Type 1 specific Sambucus nigra 4202