EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:18363 - reticulinylium

ChEBI IDCHEBI:18363
ChEBI Namereticulinylium
Stars
DefinitionA benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline.
Secondary ChEBI IDsCHEBI:490, CHEBI:11143, CHEBI:18872
Last Modified13 November 2017
DownloadsMolfile
FormulaC19H22NO4
Net Charge+1
Average Mass328.388
Monoisotopic Mass328.15433
SMILESCOc1ccc(CC2=[N+](C)CCc3cc(OC)c(O)cc32)cc1O
InChIInChI=1S/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1
InChIKeyZALYXKJOOUDZCC-UHFFFAOYSA-O
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)
reticulinylium (CHEBI:18363) has functional parent reticuline (CHEBI:26533)
reticulinylium (CHEBI:18363) is a benzylisoquinoline alkaloid (CHEBI:22750)
reticulinylium (CHEBI:18363) is a organic cation (CHEBI:25697)
IUPAC Name 
7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-3,4-dihydroisoquinolinium
Synonyms  Source
1,2-DehydroreticulineKEGG COMPOUND
1,2-DehydroreticuliniumKEGG COMPOUND
3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinoliniumKEGG COMPOUND
UniProt Name  Source
1,2-dehydroreticulineUniProt
Manual XrefsDatabases
C06167KEGG COMPOUND
C00027111KNApSAcK
Registry NumbersSources
Reaxys:4158880Reaxys
CAS:16202-17-8KEGG COMPOUND
Citations