CHEBI:66529 - strychnogucine B

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ChEBI Name strychnogucine B
ChEBI ID CHEBI:66529
Definition A bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H42N4O4
Net Charge 0
Average Mass 666.80730
Monoisotopic Mass 666.32061
InChI InChI=1S/C42H42N4O4/c47-13-9-22-20-43-12-11-41-28-5-1-4-8-31(28)46-38(41)26(24(22)16-34(41)43)15-27(40(46)49)32-19-42-29-6-2-3-7-30(29)45-36(48)18-33-37(39(42)45)25-17-35(42)44(32)21-23(25)10-14-50-33/h1-10,15,24-26,32-35,37-39,47H,11-14,16-21H2/b22-9-/t24-,25-,26-,32+,33-,34-,35-,37-,38-,39-,41+,42+/m0/s1
InChIKey MMKIAHOGFMPKCT-LUNGMMDTSA-N
SMILES [H][C@@]12CC(=O)N3c4ccccc4[C@]45C[C@@H](N6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H])C1=C[C@@]2([H])[C@@]3([H])C[C@]4([H])N(CC[C@@]44c5ccccc5N(C1=O)[C@@]24[H])C\C3=C\CO
Metabolite of Species Details
Strychnos icaja (NCBI:txid1040889) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): 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.
(via alkaloid )
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing strychnogucine B (CHEBI:66529) has role antiplasmodial drug (CHEBI:64915)
strychnogucine B (CHEBI:66529) has role metabolite (CHEBI:25212)
strychnogucine B (CHEBI:66529) is a bisindole alkaloid (CHEBI:51879)
strychnogucine B (CHEBI:66529) is a primary alcohol (CHEBI:15734)
strychnogucine B (CHEBI:66529) is a ring assembly (CHEBI:36820)
IUPAC Name
(18α)-18-[(3aR,11aS,11bS,12R,13aS,14E)-14-(2-hydroxyethylidene)-9-oxo-2,3,11a,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-10-yl]strychnidin-10-one
Registry Number Type Source
8820805 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11170658 PubMed citation Europe PMC
Last Modified
09 July 2013