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CHEBI:65596 - cassiarin A

ChEBI IDCHEBI:65596
ChEBI Namecassiarin A
Stars
DefinitionAn isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum.
Last Modified7 December 2012
DownloadsMolfile
FormulaC13H11NO2
Net Charge0
Average Mass213.236
Monoisotopic Mass213.07898
SMILESCC1=Cc2nc(C)cc3cc(O)cc(c23)O1
InChIInChI=1S/C13H11NO2/c1-7-3-9-5-10(15)6-12-13(9)11(14-7)4-8(2)16-12/h3-6,15H,1-2H3
InChIKeyPEFIRMBVFBVVGZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Senna siamea (ncbitaxon:346999) leaf (BTO:0000713) PubMed (17685627)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
cassiarin A (CHEBI:65596) has role antimalarial (CHEBI:38068)
cassiarin A (CHEBI:65596) has role metabolite (CHEBI:25212)
cassiarin A (CHEBI:65596) is a cyclic ether (CHEBI:37407)
cassiarin A (CHEBI:65596) is a isoquinoline alkaloid (CHEBI:24921)
cassiarin A (CHEBI:65596) is a isoquinolines (CHEBI:24922)
cassiarin A (CHEBI:65596) is a organic heterotricyclic compound (CHEBI:26979)
cassiarin A (CHEBI:65596) is a phenols (CHEBI:33853)
IUPAC Name 
2,5-dimethylpyrano[2,3,4-ij]isoquinolin-8-ol
Registry NumbersSources
Reaxys:11166745Reaxys
Citations