CHEBI:18417 - (RS)-coclaurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (RS)-coclaurine
ChEBI ID CHEBI:18417
ChEBI ASCII Name (RS)-coclaurine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:360, CHEBI:18713, CHEBI:11020
Supplier Information
Download Molfile XML SDF
Formula C17H19NO3
Net Charge 0
Average Mass 285.33770
Monoisotopic Mass 285.13649
InChI InChI=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
InChIKey LVVKXRQZSRUVPY-UHFFFAOYSA-N
SMILES COc1cc2CCNC(Cc3ccc(O)cc3)c2cc1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (RS)-coclaurine (CHEBI:18417) is a coclaurine (CHEBI:23347)
(RS)-coclaurine (CHEBI:18417) is conjugate base of (RS)-coclaurinium (CHEBI:58481)
Incoming (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 Sources
(R,S)-Coclaurine KEGG COMPOUND
6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline KEGG COMPOUND
Coclaurine KEGG COMPOUND
Manual Xref Database
C06348 KEGG COMPOUND
View more database links
Registry Number Type Source
486-39-5 CAS Registry Number ChemIDplus
Last Modified
12 March 2010