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CHEBI:233621 - β-punicalagin
| Formula | C48H28O30 |
| Net Charge | 0 |
| Average Mass | 1084.722 |
| Monoisotopic Mass | 1084.06654 |
| SMILES | O=C1O[C@@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3-c3c1cc(O)c(O)c3O)[C@H](O)O[C@@H]1COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]21 |
| InChI | InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1 |
| InChIKey | ZJVUMAFASBFUBG-RILGRMFESA-N |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. autophagy inducer Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antiviral agent A substance that destroys or inhibits replication of viruses. ferroptosis inhibitor Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. |
| Applications: | hepatoprotective agent Any compound that is able to prevent damage to the liver. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. anti-inflammatory agent Any compound that has anti-inflammatory effects. antiatherogenic agent A cardiovascular drug that prevents atherogenesis, the accumulation of lipid-containing plaques on the innermost layers of the arteries. Compare with antiatherosclerotic agent. astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-punicalagin (CHEBI:233621) is a punicalagin (CHEBI:167695) |
| IUPAC Name |
|---|
| (1R,35R,37R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone (non-preferred name) |
| Synonym | Source |
|---|---|
| beta-punicalagin | ChEBI |
| Citations |
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