Tannic acid - Moligand™, ACS, used for Tannic acid may be used in the following processes:Synthesis of ferric tannate complexes by reacting with metallic iron.As a protein deproteinizing agent in genomic and plasmid DNAs preparation.As a reductant in the

CAS: 1401-55-4 Cat. No.: T308008 Formule: C₇₆H₅₂O₄₆ Poids moléculaire: 1701.20 Beilstein Registry Number: 8186396 Numéro CE: 215-753-2

QUALITÉ & PURETÉ Moligand™, ACS

Synonyms

Gallotannin | CHEBI:81066 | Gallotannic acid | Glycerite | Chinese gallotannin | MLS001335996 | Tannin | MFCD00066397

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Vue d’ensemble

Slight special smell, strong astringency, dark color in exposed light and air. Soluble in water, soluble in ethanol, acetone and glycerol, almost insoluble in ether, benzene, chloroform and petroleum ether. Slight special smell, with strong astringency.

Light yellow amorphous powder or loose glossy scaly or spongy solid, most of them decompose into pyrogallic acid and carbon dioxide at 210-215 ℃. 1G in 0.35ml water and 1ml hot glycerin. Odorless, flammable. When it comes to albumin, starch, gelatin and many alkaloids and metal salts, it will precipitate. When it comes to iron salts, it will also produce black or precipitate. The spontaneous combustion point was 526.6 ℃, and the median lethal dose (rabbit, oral) was 5.0 g / kg.

Tannin is not a single compound, and its chemical composition is complex

① Condensed tannin is a kind of flavanol. The 2-position of flavanol in the molecule combines with catechol or pyrogallol through carbon carbon bond.

② Hydrolyzable tannin, with ester bond in molecule, is gallate of glucose. The latter is commonly used tannin. The tannin obtained from gallnut of China contains about 12% glucose, and the tannin obtained from gallnut of Turkey contains about 16.5% glucose.

Precipitation and gravimetric determination of be, Al, GA, in, Nb, Ta and Zr. Determination of copper, iron, vanadium, cerium and cobalt. It is a precipitant of protein and alkaloid. External indicator for titration of lead with ammonium molybdate. Dyes, mordants.

Spécifications

Synonymes

Gallotannin | CHEBI:81066 | Gallotannic acid | Glycerite | Chinese gallotannin | MLS001335996 | Tannin | MFCD00066397

Spécifications et pureté

Moligand™, ACS

Application

Tannic acid may be used in the following processes:Synthesis of ferric tannate complexes by reacting with metallic iron.As a protein deproteinizing agent in genomic and plasmid DNAs preparation.As a reductant in the synthesis of metal nano particles.

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged,Desiccated

Expédié en

Normal

Grade

ACS, Moligand™

Noms et identifiants

Pubchem Sid

488199050

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199050

Sourires canoniques

Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10

IUPAC Name

[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate

InChIKey

LRBQNJMCXXYXIU-PPKXGCFTSA-N

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/t52-,63-,64+,65-,76+/m1/s1

Isomères SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O

WGK Allemagne

2

RTECS

WW5075000

CAS alternatif

5424-20-4

Poids moléculaire

1701.20

Beilstein

8186396

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Tannins
      • Subclass Hydrolyzable tannins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Depsides and depsidones Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Phenol esters Pyrogallols and derivatives Phenoxy compounds Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydrolyzable tannin - Depside backbone - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Phenol ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenoxy compound - Catechol - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
• External Descriptors: tannin

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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FYN Tclin Tyrosine-protein kinase Fyn (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TBXAS1 Tchem Thromboxane-A synthase (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

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CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

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Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Mc4r Melanocortin receptor 4 (1205 Activities)

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Ltc4s Leukotriene C4 synthase (1 Activities)

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Sigmar1 Sigma opioid receptor (160 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Carbonic anhydrase (69 Activities)

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Salmonella typhimurium (15756 Activities)

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Staphylococcus aureus (210822 Activities)

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Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Large T antigen (1457 Activities)

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CCT2 T-complex protein 1 subunit beta (5007 Activities)

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Glra2 Glycine receptor (1745 Activities)

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groL GroEL/GroES (1042 Activities)

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groEL 60 kDa chaperonin (64 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, warm glycerol, alcohol and acetone.
• Sensibilité: Air & Light Sensitive
• Point d'éclair (°F): 390.2 °F
• Point d'éclair (°C): 199 °C
• Point de fusion (°C): 210-215°C
• Poids moléculaire: 1701.200 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 25
• Hydrogen Bond Acceptor Count: 46
• Rotatable Bond Count: 31
• Exact Mass: 1700.17 Da
• Monoisotopic Mass: 1700.17 Da
• Topological Polar Surface Area: 778.000 Ų
• Heavy Atom Count: 122
• Formal Charge: 0
• Complexity: 3570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1