CHEBI:66276 - triptonine A

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ChEBI Name triptonine A
ChEBI ID CHEBI:66276
Definition A sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H55NO21
Net Charge 0
Average Mass 945.91230
Monoisotopic Mass 945.32666
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
SMILES COC(=O)C[C@@H]1C(=O)CC[C@H](C)C(=O)O[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@@]45O[C@@]3(C)COC(=O)c3cccnc3[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(COC1=O)[C@@H]2OC(C)=O)[C@]5(C)O
Metabolite of Species Details
Tripterygium hypoglaucum (NCBI:txid205465) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
anti-HIV agent
An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Types Sources
168009-84-5 CAS Registry Number ChemIDplus
8306033 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
10757718 PubMed citation Europe PMC
Last Modified
14 April 2015