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CHEBI:17048 - nororientaline

ChEBI IDCHEBI:17048
ChEBI Namenororientaline
Stars
DefinitionAn isoquinoline alkaloid consisting of a tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3.
Secondary ChEBI IDsCHEBI:7636, CHEBI:14669, CHEBI:25595
Last Modified29 September 2022
DownloadsMolfile
FormulaC18H21NO4
Net Charge0
Average Mass315.369
Monoisotopic Mass315.14706
SMILESCOc1cc(CC2NCCc3cc(OC)c(O)cc32)ccc1O
InChIInChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3
InChIKeyWQTCGADWPORGNB-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)
nororientaline (CHEBI:17048) is a isoquinoline alkaloid (CHEBI:24921)
nororientaline (CHEBI:17048) is a isoquinolines (CHEBI:24922)
nororientaline (CHEBI:17048) is a isoquinolinol (CHEBI:24923)
nororientaline (CHEBI:17048) is conjugate base of nororientalinium(1+) (CHEBI:57996)
Incoming Relation(s)
(S)-nororientaline (CHEBI:28594) is a nororientaline (CHEBI:17048)
nororientalinium(1+) (CHEBI:57996) is conjugate acid of nororientaline (CHEBI:17048)
IUPAC Name 
1-(4-hydroxy-3-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Synonym  Source
NororientalineKEGG COMPOUND
Manual XrefsDatabases
C05317KEGG COMPOUND
Registry NumbersSources
Beilstein:314888Beilstein