chelirubine (CHEBI:17031)

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ChEBI Name	chelirubine

ChEBI ID	CHEBI:17031

Definition	A benzophenanthridine alkaloid that is sanguinarine bearing a methoxy substituent at position 10.

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

Secondary ChEBI IDs	CHEBI:13959, CHEBI:3587

Supplier Information

Download	Molfile XML SDF

Formula

C21H16NO5

Net Charge

Average Mass

362.35548

Monoisotopic Mass

362.10230

InChI

InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1

InChIKey

RNSBFHHWMMKJAM-UHFFFAOYSA-N

SMILES

COc1cc2OCOc2c2c[n+](C)c3c4cc5OCOc5cc4ccc3c12

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	chelirubine (CHEBI:17031) has parent hydride sanguinarine (CHEBI:17183) chelirubine (CHEBI:17031) is a benzophenanthridine alkaloid (CHEBI:38517) chelirubine (CHEBI:17031) is a organic cation (CHEBI:25697)

Incoming	10-hydroxydihydrochelirubine (CHEBI:28270) has functional parent chelirubine (CHEBI:17031) 12-hydroxydihydrochelirubine (CHEBI:15716) has functional parent chelirubine (CHEBI:17031)

IUPAC Name

5-methoxy-13-methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium

Last Modified

28 July 2014