EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:75211 - tannic acid
| Formula | C76H52O46 |
| Net Charge | 0 |
| Average Mass | 1701.206 |
| Monoisotopic Mass | 1700.17297 |
| SMILES | O=C(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)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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. |
| Applications: | geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 geroprotector (CHEBI:176497) |
| 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 |
| Manual Xrefs | Databases |
|---|---|
| C13452 | KEGG COMPOUND |
| CPD-17778 | MetaCyc |
| D01959 | KEGG DRUG |
| DB09372 | DrugBank |
| FDB001111 | FooDB |
| HMDB0258711 | HMDB |
| Tannic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8186386 | Reaxys |
| CAS:1401-55-4 | ChemIDplus |
| Citations |
|---|