CHEBI:18029 - dihydromacarpine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dihydromacarpine
ChEBI ID CHEBI:18029
Definition A benzophenanthridine alkaloid that is dihydrosanguinarine bearing two methoxy substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4571, CHEBI:14156, CHEBI:23753
Supplier Information
Download Molfile XML SDF
Formula C22H19NO6
Net Charge 0
Average Mass 393.38940
Monoisotopic Mass 393.121
InChI InChI=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
InChIKey RTVFIUBAXAZKSU-UHFFFAOYSA-N
SMILES COc1cc2OCOc2c2CN(C)c3c(cc(OC)c4cc5OCOc5cc34)-c12
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
13,14-dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine ChEBI
13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine KEGG COMPOUND
Dihydromacarpine KEGG COMPOUND
dihydromacarpine UniProt
Manual Xrefs Databases
C00024644 KNApSAcK
C00028198 KNApSAcK
C05316 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
4338795 Reaxys Registry Number Reaxys
77785-12-7 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
2213031 PubMed citation Europe PMC
Last Modified
13 November 2017