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CHEBI:66528 - strychnogucine A

ChEBI IDCHEBI:66528
ChEBI Namestrychnogucine A
Stars
DefinitionA bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity.
Last Modified9 July 2013
DownloadsMolfile
FormulaC42H42N4O3
Net Charge0
Average Mass650.823
Monoisotopic Mass650.32569
SMILES[H][C@]12OCC=C3CN4CC[C@]56c7ccccc7N(C(=O)[C@@]1([H])[C@@]1([H])C[C@@]78c9ccccc9N9C(=O)CC=C([C@@]%10([H])C[C@]7([H])N1C/C%10=C/C)[C@]98[H])[C@@]5([H])[C@@]2([H])[C@@]3([H])C[C@]46[H]
InChIInChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-11,13,25-26,31-33,35-39H,12,14-21H2,1H3/b22-2-/t25-,26-,31+,32-,33-,35-,36-,37+,38-,39-,41+,42+/m0/s1
InChIKeyPXWJNFJRUYWQOX-DSNAYJLUSA-N
Species of MetaboliteComponentSourceComments
Strychnos icaja (ncbitaxon:1040889) root (BTO:0001188) PubMed (11170658)
Roles Classification
Biological Roles:
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
ChEBI Ontology
Outgoing Relation(s)
strychnogucine A (CHEBI:66528) has role antiplasmodial drug (CHEBI:64915)
strychnogucine A (CHEBI:66528) has role metabolite (CHEBI:25212)
strychnogucine A (CHEBI:66528) is a bisindole alkaloid (CHEBI:51879)
strychnogucine A (CHEBI:66528) is a ring assembly (CHEBI:36820)
IUPAC Name 
(11α)-11-[(2R,3aR,11bS,12S,13aS,14E)-14-ethylidene-9-oxo-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-2-yl]strychnidin-10-one
Registry NumbersSources
Reaxys:8820459Reaxys
Citations