1.0 2010-04-08 22:08:46 UTC 2019-11-26 03:03:31 UTC FDB009721 Lignin Lignin is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Lignin can be found in a number of food items such as evening primrose, carob, sunflower, and corn, which makes lignin a potential biomarker for the consumption of these food products. Lignin is a class of complex organic polymers that form important structural materials in the support tissues of vascular plants and some algae. Lignins are particularly important in the formation of cell walls, especially in wood and bark, because they lend rigidity and do not rot easily. Chemically, lignins are cross-linked phenolic polymers . Lignin pink C18H13N3Na2O8S2 509.421 508.993945137 disodium 4-acetamido-5-oxo-6-(2-phenylhydrazin-1-ylidene)-5,6-dihydronaphthalene-1,7-disulfonate disodium 4-acetamido-5-oxo-6-(2-phenylhydrazin-1-ylidene)naphthalene-1,7-disulfonate 9005-53-2 [Na+].[Na+].CC(=O)NC1=C2C(=O)C(=NNC3=CC=CC=C3)C(=CC2=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,20H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2 MNCUGCKRKXNGQK-UHFFFAOYSA-L belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Naphthalenes Organic compounds Benzenoids Naphthalenes Aromatic homopolycyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Acetamides Aryl ketones Hydrazones Hydrocarbon derivatives N-acetylarylamines Organic oxides Organic sodium salts Organopnictogen compounds Organosulfonic acids Phenylhydrazines Secondary carboxylic acid amides Sulfonyls Vinylogous amides 1-sulfo,2-unsubstituted aromatic compound Acetamide Aromatic homopolycyclic compound Aryl ketone Arylsulfonic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid derivative Hydrazone Hydrocarbon derivative Ketone Monocyclic benzene moiety N-acetylarylamine N-arylamide Naphthalene Organic alkali metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenylhydrazine Secondary carboxylic acid amide Sulfonyl Vinylogous amide logp 2.05 ALOGPS logs -4.34 ALOGPS solubility 2.33e-02 g/l ALOGPS logp -1 ChemAxon pka_strongest_acidic -2.9 ChemAxon pka_strongest_basic 0.56 ChemAxon iupac disodium 4-acetamido-5-oxo-6-(2-phenylhydrazin-1-ylidene)-5,6-dihydronaphthalene-1,7-disulfonate ChemAxon average_mass 509.421 ChemAxon mono_mass 508.993945137 ChemAxon smiles [Na+].[Na+].CC(=O)NC1=C2C(=O)C(=NNC3=CC=CC=C3)C(=CC2=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O ChemAxon formula C18H13N3Na2O8S2 ChemAxon inchi InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,20H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2 ChemAxon inchikey MNCUGCKRKXNGQK-UHFFFAOYSA-L ChemAxon polar_surface_area 184.96 ChemAxon refractivity 111.75 ChemAxon polarizability 43.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1317208 Specdb::MsMs 1317209 Specdb::MsMs 1317210 Specdb::MsMs 1431664 Specdb::MsMs 1431665 Specdb::MsMs 1431666 Barley Type 1 specific Hordeum vulgare 4513 4600.0 4600.0 4600.0 mg/100 g Black tea Type 1 Burdock Type 1 specific Arctium lappa 4217 Carob Type 1 specific Ceratonia siliqua 20340 Coconut Type 1 specific Cocos nucifera 13894 29400.0 29400.0 29400.0 mg/100 g Common bean Type 1 specific Phaseolus vulgaris 3885 745.0 745.0 745.0 mg/100 g Corn Type 1 specific Zea mays 4577 22900.0 22900.0 22900.0 mg/100 g Evening primrose Type 1 specific Oenothera biennis 3942 16000.0 16000.0 16000.0 mg/100 g Fenugreek Type 1 specific Trigonella foenum-graecum 78534 28000.0 28000.0 28000.0 mg/100 g Flaxseed Type 1 specific Linum usitatissimum 4006 French plantain Type 1 specific Musa X paradisiaca 89151 Green tea Type 1 Herbal tea Type 1 Lima bean Type 1 specific Phaseolus lunatus 3884 490.0 490.0 490.0 mg/100 g Oat Type 1 specific Avena sativa 4498 10500.0 12500.0 8500.0 mg/100 g Pomegranate Type 1 specific Punica granatum 22663 Red tea Type 1 Rice Type 1 specific Oryza sativa 4530 15015.0 15015.0 15015.0 mg/100 g Scarlet bean Type 1 specific Phaseolus coccineus 3886 990.0 990.0 990.0 mg/100 g Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Soy bean Type 1 specific Glycine max 3847 Sunflower Type 1 specific Helianthus annuus 4232 27500.0 27500.0 27500.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Wild leek Type 1 specific Allium ampeloprasum 4681 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti coronary 207 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti HIV 333 A substance that destroys or inhibits replication of viruses. Anti-cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. Anti-diarrheic 229 Any drug found useful in the symptomatic treatment of diarrhoea. Anti-nitrosaminic 480 Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Chelator 795 A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. Hypocholesterolemic 1016 Laxative 1065 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.