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CHEBI:27482 - (R)-coclaurine

ChEBI IDCHEBI:27482
ChEBI Name(R)-coclaurine
Stars
ASCII Name(R)-coclaurine
Secondary ChEBI IDsCHEBI:338, CHEBI:18682
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H19NO3
Net Charge0
Average Mass285.343
Monoisotopic Mass285.13649
SMILESCOc1cc2c(cc1O)[C@@H](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/t15-/m1/s1
InChIKeyLVVKXRQZSRUVPY-OAHLLOKOSA-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)
(R)-coclaurine (CHEBI:27482) is a coclaurine (CHEBI:23347)
(R)-coclaurine (CHEBI:27482) is enantiomer of (S)-coclaurine (CHEBI:15950)
Incoming Relation(s)
(S)-coclaurine (CHEBI:15950) is enantiomer of (R)-coclaurine (CHEBI:27482)
IUPAC Name 
(1R)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Synonyms  Source
(R)-CoclaurineKEGG COMPOUND
6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolineKEGG COMPOUND
(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinolKEGG COMPOUND
MachilineKEGG COMPOUND
(+)-CoclaurineChemIDplus
d-CoclaurineChemIDplus
Manual XrefsDatabases
C06349KEGG COMPOUND
C00025652KNApSAcK
C00027647KNApSAcK
Registry NumbersSources
Beilstein:1546873Beilstein
CAS:2196-60-3ChemIDplus
CAS:2196-60-3KEGG COMPOUND