CHEBI:17789 - dihydrochelirubine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dihydrochelirubine
ChEBI ID CHEBI:17789
Definition A benzophenanthridine alkaloid that is dihydrosanguinarine bearing a methoxy substituent at position 10.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4557, CHEBI:14145, CHEBI:23734
Supplier Information
Download Molfile XML SDF
Formula C21H17NO5
Net Charge 0
Average Mass 363.36342
Monoisotopic Mass 363.111
InChI InChI=1S/C21H17NO5/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/h3-7H,8-10H2,1-2H3
InChIKey JPXUJRDPZQUCNV-UHFFFAOYSA-N
SMILES COc1cc2OCOc2c2CN(C)c3c(ccc4cc5OCOc5cc34)-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 dihydrochelirubine (CHEBI:17789) has functional parent dihydrosanguinarine (CHEBI:17209)
dihydrochelirubine (CHEBI:17789) has role metabolite (CHEBI:25212)
dihydrochelirubine (CHEBI:17789) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name
5-methoxy-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-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine KEGG COMPOUND
Dihydrochelirubine KEGG COMPOUND
dihydrochelirubine UniProt
Manual Xrefs Databases
C00024643 KNApSAcK
C05194 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
28342-26-9 CAS Registry Number KEGG COMPOUND
630924 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17077972 PubMed citation Europe PMC
20686258 PubMed citation Europe PMC
2213031 PubMed citation Europe PMC
IND43865777 Agricola citation Europe PMC
Last Modified
28 July 2014