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CHEBI:18417 - (RS)-coclaurine

ChEBI IDCHEBI:18417
ChEBI Name(RS)-coclaurine
Stars
ASCII Name(RS)-coclaurine
Secondary ChEBI IDsCHEBI:360, CHEBI:11020, CHEBI:18713
Last Modified12 March 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H19NO3
Net Charge0
Average Mass285.343
Monoisotopic Mass285.13649
SMILESCOc1cc2c(cc1O)C(Cc1ccc(O)cc1)NCC2
InChIInChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3
InChIKeyLVVKXRQZSRUVPY-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)
(RS)-coclaurine (CHEBI:18417) is a coclaurine (CHEBI:23347)
(RS)-coclaurine (CHEBI:18417) is conjugate base of (RS)-coclaurinium (CHEBI:58481)
Incoming Relation(s)
(RS)-coclaurinium (CHEBI:58481) is conjugate acid of (RS)-coclaurine (CHEBI:18417)
IUPAC Name 
1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Synonyms  Source
(R,S)-CoclaurineKEGG COMPOUND
CoclaurineKEGG COMPOUND
6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolineKEGG COMPOUND
Manual XrefsDatabases
C06348KEGG COMPOUND
Registry NumbersSources
CAS:486-39-5ChemIDplus