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CHEBI:17101 - macarpine

ChEBI IDCHEBI:17101
ChEBI Namemacarpine
Stars
DefinitionA benzophenanthridine alkaloid that is sanguinarine bearing two methoxy substituents.
Secondary ChEBI IDsCHEBI:6622, CHEBI:14550
Last Modified13 November 2017
DownloadsMolfile
FormulaC22H18NO6
Net Charge+1
Average Mass392.387
Monoisotopic Mass392.11286
SMILESCOc1cc2c3c(OC)cc4c(c3c[n+](C)c2c2cc3c(cc12)OCO3)OCO4
InChIInChI=1S/C22H18NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-8H,9-10H2,1-3H3/q+1
InChIKeySBVRPBAVNZNLKX-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)
macarpine (CHEBI:17101) has parent hydride sanguinarine (CHEBI:17183)
macarpine (CHEBI:17101) is a benzophenanthridine alkaloid (CHEBI:38517)
macarpine (CHEBI:17101) is a organic cation (CHEBI:25697)
IUPAC Name 
5,7-dimethoxy-13-methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium
Synonym  Source
MacarpineKEGG COMPOUND
UniProt Name  Source
macarpineUniProt
Manual XrefsDatabases
C06165KEGG COMPOUND
CZ297482Patent
C00001883KNApSAcK
Registry NumbersSources
Reaxys:4339355Reaxys
CAS:23594-80-1KEGG COMPOUND
Citations