1.0 2010-04-08 22:04:50 UTC 2019-11-26 02:55:56 UTC FDB001111 Chinese tannin Clarifying agent for beer and wine; flavour enhancer, colour modifier, pH control agent. Permitted boiler water additive in generation of steam for use in food contact processes Tannins are astringent, bitter-tasting plant polyphenols that bind and precipitate proteins. The term tannin refers to the source of tannins used in tanning animal hides into leather; however, the term is widely applied to any large polyphenolic compound containing sufficient hydroxyls and other suitable groups (such as carboxyls) to form strong complexes with proteins and other macromolecules. Tannins have molecular weights ranging from 500 to over 3,000. Tannins are usually divided into hydrolyzable tannins and condensed tannins (proanthocyanidins). At the center of a hydrolyzable tannin molecule, there is a polyol carbohydrate (usually D-glucose). The hydroxyl groups of the carbohydrate are partially or totally esterified with phenolic groups such as gallic acid (in gallotannins) or ellagic acid (in ellagitannins). Hydrolyzable tannins are hydrolyzed by weak acids or weak bases to produce carbohydrate and phenolic acids. Condensed tannins, also known as proanthocyanidins, are polymers of 2 to 50 (or more) flavonoid units that are joined by carbon-carbon bonds, which are not susceptible to being cleaved by hydrolysis. While hydrolyzable tannins and most condensed tannins are water soluble, some very large condensed tannins are insoluble. Tannins may be employed medicinally in antidiarrheal, hemostatic, and antihemorrhoidal compoundsand is also, they produce different colors with ferric chloride (either blue, blue black, or green to greenish black) according to the type of tannin. Examples of gallotannins are the gallic acid esters of glucose in tannic acid (C76H52O46), found in the leaves and bark of many plant species. Foods with tannins include tea, wine and some fruits . [HMDB]. Chinese gallotannin Chinese tannin Corilagin FEMA 3042 Gallotannic acid Gallotannin Glycerite Quebracho Tannic acid Tannic acid (JP15/USP) Tannic acid (TN) Tannic acid, acs Tannin (tannic acid) C76H52O46 1701.1985 1700.172974276 2,3-dihydroxy-5-[({3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl}methoxy)carbonyl]phenyl 3,4,5-trihydroxybenzoate tannins 1401-55-4 OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2 LRBQNJMCXXYXIU-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Hydrocarbon derivatives Organooxygen compounds Trialkylamines 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Amine Aralkylamine Aromatic homomonocyclic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Phenol Phenylpropane Tertiary aliphatic amine Tertiary amine Solid logp 4.73 ALOGPS logs -3.62 ALOGPS solubility 4.07e-01 g/l ALOGPS melting_point Mp 210-215° dec. logp 13.51 ChemAxon pka_strongest_acidic 7.61 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2,3-dihydroxy-5-[({3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl}methoxy)carbonyl]phenyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 1701.1985 ChemAxon mono_mass 1700.172974276 ChemAxon smiles OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 ChemAxon formula C76H52O46 ChemAxon inchi InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2 ChemAxon inchikey LRBQNJMCXXYXIU-UHFFFAOYSA-N ChemAxon polar_surface_area 777.98 ChemAxon refractivity 393.57 ChemAxon polarizability 160.49 ChemAxon rotatable_bond_count 31 ChemAxon acceptor_count 36 ChemAxon donor_count 25 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB05790 American pokeweed Type 1 specific Phytolacca americana 3527 Apricot Type 1 specific Prunus armeniaca 36596 80.0 80.0 80.0 mg/100 g Arabica coffee Type 1 specific Coffea arabica 13443 9000.0 9000.0 9000.0 mg/100 g Avocado Type 1 specific Persea americana 3435 4700.0 4700.0 4700.0 mg/100 g Beer Type 2 specific 0.003418 0.01243 0.0 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 10750.0 13000.0 8500.0 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 1720.0 1720.0 1720.0 mg/100 g Black tea Type 1 15190.0 15190.0 15190.0 mg/100 g Black walnut Type 1 specific Juglans nigra 16719 14700.0 14700.0 14700.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 8500.0 8500.0 8500.0 mg/100 g Borage Type 1 specific Borago officinalis 13363 3000.0 3000.0 3000.0 mg/100 g Butternut Type 1 specific Juglans cinerea 91214 Capers Type 1 specific Capparis spinosa 65558 Caraway Type 1 specific Carum carvi 48032 Carob Type 1 specific Ceratonia siliqua 20340 1500.0 1500.0 1500.0 mg/100 g Cashew nut Type 1 specific Anacardium occidentale 171929 9000.0 9000.0 9000.0 mg/100 g Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 Chicory Type 1 specific Cichorium intybus 13427 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Cloves Type 1 specific Syzygium aromaticum 219868 3.37 3.37 3.37 mg/100 g Cocoa bean Type 1 specific Theobroma cacao 3641 7540.0 7540.0 7540.0 mg/100 g Coconut Type 1 specific Cocos nucifera 13894 Common grape Type 1 specific Vitis vinifera 29760 Common oregano Type 1 specific Origanum vulgare 39352 8000.0 8000.0 8000.0 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 5000.0 5000.0 5000.0 mg/100 g Common thyme Type 1 specific Thymus vulgaris 49992 9000.0 9000.0 9000.0 mg/100 g Common verbena Type 1 specific Verbena officinalis 79772 Common walnut Type 1 specific Juglans regia 51240 9535.0 12200.0 6405.0 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 Cornmint Type 1 specific Mentha arvensis 292239 Cottonseed Type 1 specific Gossypium 3633 1770.0 1770.0 1770.0 mg/100 g Cumin Type 1 specific Cuminum cyminum 52462 Custard apple Type 1 specific Annona reticulata 301862 Dandelion Type 1 specific Taraxacum officinale 50225 Date Type 1 specific Phoenix dactylifera 42345 1682.5 2455.0 910.0 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Eggplant Type 1 specific Solanum melongena 4111 200.0 200.0 200.0 mg/100 g European chestnut Type 1 specific Castanea sativa 21020 6466.666667 9000.0 2400.0 mg/100 g European plum Type 1 specific Prunus domestica 3758 6800.0 6800.0 6800.0 mg/100 g Evening primrose Type 1 specific Oenothera biennis 3942 11000.0 11000.0 11000.0 mg/100 g Fig Type 1 specific Ficus carica 3494 German camomile Type 1 specific Matricaria recutita 127986 Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Gooseberry Type 1 specific Ribes uva-crispa 135518 Green tea Type 1 15190.0 15190.0 15190.0 mg/100 g Guava Type 1 specific Psidium guajava 120290 10466.666667 20500.0 1400.0 mg/100 g Herbal tea Type 1 15190.0 15190.0 15190.0 mg/100 g Horseradish Type 1 specific Armoracia rusticana 3704 Hyssop Type 1 specific Hyssopus officinalis 39324 6500.0 6500.0 6500.0 mg/100 g Jackfruit Type 1 specific Artocarpus heterophyllus 3489 3300.0 3300.0 3300.0 mg/100 g Java plum Type 1 specific Syzygium cumini 260142 Kiwi Type 1 specific Actinidia chinensis 3625 950.0 950.0 950.0 mg/100 g Linden Type 1 specific Tilia 64580 Loquat Type 1 specific Eriobotrya japonica 32224 Mango Type 1 specific Mangifera indica 29780 7555.0 15000.0 110.0 mg/100 g Nance Type 1 specific Byrsonima crassifolia 4270 22755.0 22755.0 22755.0 mg/100 g Olive Type 1 specific Olea europaea 4146 Orange mint Type 1 specific Mentha aquatica 190902 7400.0 7400.0 7400.0 mg/100 g Papaya Type 1 specific Carica papaya 3649 550.0 550.0 550.0 mg/100 g Peach Type 1 specific Prunus persica 3760 800.0 800.0 800.0 mg/100 g Peppermint Type 1 specific Mentha X piperita 34256 Pistachio Type 1 specific Pistacia vera 55513 Pomegranate Type 1 specific Punica granatum 22663 12111.666667 22000.0 170.0 mg/100 g Potato Type 1 specific Solanum tuberosum 4113 3200.0 3200.0 3200.0 mg/100 g Purslane Type 1 specific Portulaca oleracea 46147 Quince Type 1 specific Cydonia oblonga 36610 Red raspberry Type 1 specific Rubus idaeus 32247 5810.0 11000.0 620.0 mg/100 g Red tea Type 1 15190.0 15190.0 15190.0 mg/100 g Roman camomile Type 1 specific Chamaemelum nobile 99037 Rosemary Type 1 specific Rosmarinus officinalis 39367 Sacred lotus Type 1 specific Nelumbo nucifera 4432 Sapodilla Type 1 specific Manilkara zapota 3741 4805.0 4805.0 4805.0 mg/100 g Sea-buckthornberry Type 1 specific Hippophae rhamnoides 193516 3150.0 4500.0 1800.0 mg/100 g Sesame Type 1 specific Sesamum orientale 4182 Sorrel Type 1 specific Rumex acetosa 41241 8860.0 12720.0 5000.0 mg/100 g Sour cherry Type 1 specific Prunus cerasus 140311 6000.0 6000.0 6000.0 mg/100 g Soursop Type 1 specific Annona muricata 13337 Soy bean Type 1 specific Glycine max 3847 Spearmint Type 1 specific Mentha spicata 29719 Star anise Type 1 specific Illicium verum 124778 Sugar apple Type 1 specific Annona squamosa 301693 Summer savory Type 1 specific Satureja hortensis 49987 6250.0 6250.0 6250.0 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet marjoram Type 1 specific Origanum majorana 268884 Tamarind Type 1 specific Tamarindus indica 58860 7000.0 7000.0 7000.0 mg/100 g Tarragon Type 1 specific Artemisia dracunculus 72341 Tea Type 1 specific Camellia sinensis 4442 15190.0 15190.0 15190.0 mg/100 g Aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti cariogenic 165 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti decubitic 220 Anti dysenteric 238 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti enteritic 260 Anti feedant 275 Anti hepatotoxic 328 Any compound that is able to prevent damage to the liver. Anti HIV 333 A substance that destroys or inhibits replication of viruses. Anti hypertensive 352 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti lipolytic 406 Anti nephritic 466 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti ophidic 491 Anti polio 538 A substance that destroys or inhibits replication of viruses. Anti radicular 572 Anti renitic 574 Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti ulcer 676 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. Anti-anacarditic 110 Anti-cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. Anti-colitic 196 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-dermatotic 227 A drug used to treat or prevent skin disorders or for the routine care of skin. Anti-diarrheic 229 Any drug found useful in the symptomatic treatment of diarrhoea. Anti-encephalitic 255 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-gargantitic 289 Anti-gingivitic 298 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-helmintic 72 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-hemorrhoidal 322 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-herpetic 329 A substance that destroys or inhibits replication of viruses. Anti-mutagenic 451 Anti-nitrosaminic 480 Anti-obesity 486 Any substance introduced into a living organism with therapeutic or diagnostic purpose. 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-pharyngitic 526 Anti-rhinitic 587 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-stomatitic 630 Anti-tonsilitic 660 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Antidote 236 Any protective agent counteracting or neutralizing the action of poisons. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Antitumor promoter 673 A substance that inhibits or prevents the proliferation of neoplasms. Astringent 712 A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. Beta-adrenergic receptor blocker 727 Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Carcinogenic 762 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. Cardiotoxic 772 A role played by a chemical compound exihibiting itself through the ability to induce damage to the heart and cardiomyocytes. Chelator 795 A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. Cyclooxygenase inhibitor 849 A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Detoxicant 877 Any protective agent counteracting or neutralizing the action of poisons. Emetic 899 Glucosyl-transferase inhibitor 953 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Hemostat 976 Hepatoprotective 981 Any compound that is able to prevent damage to the liver. Hepatotoxic 984 A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. Immunostimulant 1032 A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. Immunosuppressant 1033 An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. Lipoxygenase inhibitor 1077 A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. Monoamine-oxidase inhibitor 1089 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Ornithine-decarboxylase inhibitor 1175 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. 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. Psychotropic 1270 A loosely defined grouping of drugs that have effects on psychological function. Reverse transcriptase inhibitor 1295 An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need to reproduce. Topoisomerase-II inhibitor 1366 A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (topoisomerase II), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. Xanthine oxidase inhibitor 1431 An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).