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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: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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. 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 |
|---|
| 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 |
|---|---|
| Cinnamtannin A1 | KEGG COMPOUND |
| EC-(4b,8)-EC-(4b,8)-EC | HMDB |
| [Epicatechin(4b→8)]2-epicatechin | HMDB |
| [Epicatechin-(4β→8)]2-epicatechin | HMDB |
| Epicatechin-(4β→8)-epicatechin-(4β→8)-epicatechin | HMDB |
| Proanthocyanidin C1 | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C17624 | KEGG COMPOUND |
| HMDB0038370 | HMDB |
| Procyanidin_C1 | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3647705 | Reaxys |
| CAS:37064-30-5 | ChemIDplus |
| Citations |
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