cassiarin A (CHEBI:65596)

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ChEBI Name	cassiarin A

ChEBI ID	CHEBI:65596

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H11NO2

Net Charge

Average Mass

213.23190

Monoisotopic Mass

213.07898

InChI

InChI=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

InChIKey

PEFIRMBVFBVVGZ-UHFFFAOYSA-N

SMILES

Cc1cc2cc(O)cc3oc(C)cc(n1)c23

Metabolite of Species	Details
Senna siamea (NCBI:txid346999)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Biological Role(s):	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. (via alkaloid )

Application(s):	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	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 Number	Type	Source
11166745	Reaxys Registry Number	Reaxys

Last Modified

07 December 2012