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CHEBI:28611 - (S)-norreticuline

ChEBI IDCHEBI:28611
ChEBI Name(S)-norreticuline
Stars
ASCII Name(S)-norreticuline
Secondary ChEBI IDsCHEBI:438, CHEBI:18795
Last Modified20 March 2019
DownloadsMolfile
FormulaC18H21NO4
Net Charge0
Average Mass315.369
Monoisotopic Mass315.14706
SMILESCOc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc32)cc1O
InChIInChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(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/t14-/m0/s1
InChIKeyFVEMXQCEJGGXJB-AWEZNQCLSA-N
Roles Classification
Biological Roles:
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor  An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of 3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116).
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)
(S)-norreticuline (CHEBI:28611) has role EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor (CHEBI:77111)
(S)-norreticuline (CHEBI:28611) is a norreticuline (CHEBI:46816)
(S)-norreticuline (CHEBI:28611) is conjugate base of (S)-norreticuline(1+) (CHEBI:143273)
(S)-norreticuline (CHEBI:28611) is enantiomer of (R)-norreticuline (CHEBI:28658)
Incoming Relation(s)
(S)-norreticuline(1+) (CHEBI:143273) is conjugate acid of (S)-norreticuline (CHEBI:28611)
(R)-norreticuline (CHEBI:28658) is enantiomer of (S)-norreticuline (CHEBI:28611)
IUPAC Name 
(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Synonyms  Source
(S)-NorreticulineKEGG COMPOUND
(−)-norreticulineChEBI
Manual XrefsDatabases
C06520KEGG COMPOUND
Registry NumbersSources
Beilstein:1550530Beilstein