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CHEBI:18029 - dihydromacarpine

ChEBI IDCHEBI:18029
ChEBI Namedihydromacarpine
Stars
DefinitionA benzophenanthridine alkaloid that is dihydrosanguinarine bearing two methoxy substituents.
Secondary ChEBI IDsCHEBI:4571, CHEBI:14156, CHEBI:23753
Last Modified13 November 2017
DownloadsMolfile
FormulaC22H19NO6
Net Charge0
Average Mass393.395
Monoisotopic Mass393.12124
SMILESCOc1cc2c(c3c1-c1cc(OC)c4cc5c(cc4c1N(C)C3)OCO5)OCO2
InChIInChI=1S/C22H19NO6/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/h4-7H,8-10H2,1-3H3
InChIKeyRTVFIUBAXAZKSU-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)
dihydromacarpine (CHEBI:18029) has functional parent dihydrosanguinarine (CHEBI:17209)
dihydromacarpine (CHEBI:18029) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name 
5,7-dimethoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine
Synonyms  Source
DihydromacarpineKEGG COMPOUND
13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridineKEGG COMPOUND
13,14-dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridineChEBI
UniProt Name  Source
dihydromacarpineUniProt
Manual XrefsDatabases
C05316KEGG COMPOUND
C05316KEGG COMPOUND
C00024644KNApSAcK
C00028198KNApSAcK
Registry NumbersSources
Reaxys:4338795Reaxys
CAS:77785-12-7KEGG COMPOUND
Citations