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CHEBI:66277 - triptonine B

ChEBI IDCHEBI:66277
ChEBI Nametriptonine B
Stars
DefinitionA sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum.
Last Modified14 April 2015
DownloadsMolfile
FormulaC45H55NO22
Net Charge0
Average Mass961.920
Monoisotopic Mass961.32157
SMILES[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]31COC(=O)C(CC(=O)OC)C(=O)CCC(C)C(=O)O[C@H]2[C@H]1OC(C)=O)[C@]4(C)O
InChIInChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30-,31-,32+,33-,34+,35-,36+,41+,42?,43+,44-,45+/m1/s1
InChIKeyGSBZVVMZYQMZBG-XMOOUNKUSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) root (BTO:0001188) PubMed (10757718) Previous component: root bark;
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
triptonine B (CHEBI:66277) has role anti-HIV agent (CHEBI:64946)
triptonine B (CHEBI:66277) has role plant metabolite (CHEBI:76924)
triptonine B (CHEBI:66277) is a acetate ester (CHEBI:47622)
triptonine B (CHEBI:66277) is a macrocyclic lactone (CHEBI:63944)
triptonine B (CHEBI:66277) is a methyl ester (CHEBI:25248)
triptonine B (CHEBI:66277) is a pyridines (CHEBI:26421)
triptonine B (CHEBI:66277) is a sesquiterpene alkaloid (CHEBI:26657)
triptonine B (CHEBI:66277) is a terpene lactone (CHEBI:37668)
Registry NumbersSources
Reaxys:8305955Reaxys
CAS:168009-85-6ChemIDplus
Citations