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CHEBI:17031 - chelirubine

ChEBI IDCHEBI:17031
ChEBI Namechelirubine
Stars
DefinitionA benzophenanthridine alkaloid that is sanguinarine bearing a methoxy substituent at position 10.
Secondary ChEBI IDsCHEBI:3587, CHEBI:13959
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H16NO5
Net Charge+1
Average Mass362.361
Monoisotopic Mass362.10230
SMILESCOc1cc2c(c3c[n+](C)c4c5cc6c(cc5ccc4c13)OCO6)OCO2
InChIInChI=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
InChIKeyRNSBFHHWMMKJAM-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
ChelirubineKEGG COMPOUND
UniProt Name  Source
chelirubineUniProt
Manual XrefsDatabases
C06327KEGG COMPOUND
C00024636KNApSAcK
C00001821KNApSAcK
Registry NumbersSources
Reaxys:4161959Reaxys
CAS:18203-11-7KEGG COMPOUND
CAS:18203-11-7ChemIDplus
Citations