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CHEBI:75643 - procyanidin C1
| Formula | C45H38O18 |
| Net Charge | 0 |
| Average Mass | 866.781 |
| Monoisotopic Mass | 866.20581 |
| SMILES | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 |
| InChI | InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1 |
| InChIKey | MOJZMWJRUKIQGL-XILRTYJMSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | lipoxygenase inhibitor 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. EC 3.2.1.20 (alpha-glucosidase) inhibitor An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of α-glucosidase (EC 3.2.1.20). EC 1.17.3.2 (xanthine oxidase) inhibitor 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). |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| procyanidin C1 (CHEBI:75643) has functional parent (−)-epicatechin (CHEBI:90) |
| procyanidin C1 (CHEBI:75643) has role anti-inflammatory agent (CHEBI:67079) |
| procyanidin C1 (CHEBI:75643) has role antioxidant (CHEBI:22586) |
| procyanidin C1 (CHEBI:75643) has role EC 1.17.3.2 (xanthine oxidase) inhibitor (CHEBI:35634) |
| procyanidin C1 (CHEBI:75643) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239) |
| procyanidin C1 (CHEBI:75643) has role lipoxygenase inhibitor (CHEBI:35856) |
| procyanidin C1 (CHEBI:75643) has role metabolite (CHEBI:25212) |
| procyanidin C1 (CHEBI:75643) is a hydroxyflavan (CHEBI:72010) |
| procyanidin C1 (CHEBI:75643) is a polyphenol (CHEBI:26195) |
| procyanidin C1 (CHEBI:75643) is a proanthocyanidin (CHEBI:26267) |
| IUPAC Name |
|---|
| (2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol |
| Synonyms | Source |
|---|---|
| [Epicatechin-(4β→8)]2-epicatechin | HMDB |
| EC-(4b,8)-EC-(4b,8)-EC | HMDB |
| Epicatechin-(4β→8)-epicatechin-(4β→8)-epicatechin | HMDB |
| Procyanidin trimer C1 | HMDB |
| [Epicatechin(4b→8)]2-epicatechin | HMDB |
| Procyanidol C1 | HMDB |
| Manual Xrefs | Databases |
|---|---|
| Procyanidin_C1 | Wikipedia |
| HMDB0038370 | HMDB |
| C17624 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3647705 | Reaxys |
| CAS:37064-30-5 | ChemIDplus |
| Citations |
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