CHEBI:75211 - tannic acid

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ChEBI Name tannic acid
ChEBI ID CHEBI:75211
Definition A gallotannin obtained by acylation of the five hydroxy groups of D-glucose by 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid (a gallic acid dimer).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C76H52O46
Net Charge 0
Average Mass 1701.19850
Monoisotopic Mass 1700.173
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/t52-,63-,64+,65-,76?/m1/s1
InChIKey LRBQNJMCXXYXIU-YIILYMKVSA-N
SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Roles Classification
Biological Role(s): carcinogenic agent
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing tannic acid (CHEBI:75211) has functional parent gallic acid (CHEBI:30778)
tannic acid (CHEBI:75211) has role carcinogenic agent (CHEBI:50903)
tannic acid (CHEBI:75211) has role metabolite (CHEBI:25212)
tannic acid (CHEBI:75211) is a D-glucoside (CHEBI:35436)
tannic acid (CHEBI:75211) is a gallotannin (CHEBI:24182)
tannic acid (CHEBI:75211) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose
Database Links Databases
C13452 KEGG COMPOUND
D01959 KEGG DRUG
Tannic_acid Wikipedia
View more database links
Registry Numbers Types Sources
1401-55-4 CAS Registry Number KEGG COMPOUND
8186386 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23583842 PubMed citation Europe PMC
23776675 PubMed citation Europe PMC
Last Modified
14 August 2014