canadine (CHEBI:22998)

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ChEBI Name	canadine

ChEBI ID	CHEBI:22998

Definition	A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10.

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

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Formula

C20H21NO4

Net Charge

Average Mass

339.38500

Monoisotopic Mass

339.14706

InChI

InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3

InChIKey

VZTUIEROBZXUFA-UHFFFAOYSA-N

SMILES

COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	canadine (CHEBI:22998) is a aromatic ether (CHEBI:35618) canadine (CHEBI:22998) is a berberine alkaloid (CHEBI:22754) canadine (CHEBI:22998) is a organic heteropentacyclic compound (CHEBI:38164) canadine (CHEBI:22998) is a oxacycle (CHEBI:38104)

Incoming	(R)-canadine (CHEBI:18146) is a canadine (CHEBI:22998) (S)-canadine (CHEBI:16592) is a canadine (CHEBI:22998)

IUPAC Name

9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline

Synonyms	Sources
5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine	ChemIDplus
5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)benzo-1,3-dioxolo(5,6-a)quinolizine	ChemIDplus
9,10-dimethoxy-2,3-(methylenedioxy)berbine	ChemIDplus
Canadin	ChemIDplus
tetrahydroberberine	ChemIDplus
xanthopuccine	ChemIDplus

Last Modified

25 February 2016