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CHEBI:66276 - triptonine A
| Formula | C45H55NO21 |
| Net Charge | 0 |
| Average Mass | 945.921 |
| Monoisotopic Mass | 945.32666 |
| SMILES | [H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]31COC(=O)[C@H](CC(=O)OC)C(=O)CC[C@H](C)C(=O)O[C@H]2[C@H]1OC(C)=O)[C@]4(C)O |
| InChI | InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20+,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1 |
| InChIKey | GHLDKPNDMMVFDQ-OFWWAFBUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tripterygium hypoglaucum (ncbitaxon:205465) | - | PubMed (10757718) |
| Roles Classification |
|---|
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| triptonine A (CHEBI:66276) has role anti-HIV agent (CHEBI:64946) |
| triptonine A (CHEBI:66276) has role plant metabolite (CHEBI:76924) |
| triptonine A (CHEBI:66276) is a acetate ester (CHEBI:47622) |
| triptonine A (CHEBI:66276) is a macrocyclic lactone (CHEBI:63944) |
| triptonine A (CHEBI:66276) is a methyl ester (CHEBI:25248) |
| triptonine A (CHEBI:66276) is a pyridines (CHEBI:26421) |
| triptonine A (CHEBI:66276) is a sesquiterpene alkaloid (CHEBI:26657) |
| triptonine A (CHEBI:66276) is a terpene lactone (CHEBI:37668) |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8306033 | Reaxys |
| CAS:168009-84-5 | ChemIDplus |
| Citations |
|---|