CHEBI:27482 - (R)-coclaurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-coclaurine
ChEBI ID CHEBI:27482
ChEBI ASCII Name (R)-coclaurine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:338, CHEBI:18682
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/t15-/m1/s1
InChIKey LVVKXRQZSRUVPY-OAHLLOKOSA-N
SMILES COc1cc2CCN[C@H](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 (R)-coclaurine (CHEBI:27482) is a coclaurine (CHEBI:23347)
(R)-coclaurine (CHEBI:27482) is enantiomer of (S)-coclaurine (CHEBI:15950)
Incoming (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 Sources
(+)-Coclaurine ChemIDplus
(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol KEGG COMPOUND
(R)-Coclaurine KEGG COMPOUND
6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline KEGG COMPOUND
d-Coclaurine ChemIDplus
Machiline KEGG COMPOUND
Manual Xrefs Databases
C00025652 KNApSAcK
C00027647 KNApSAcK
C06349 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1546873 Beilstein Registry Number Beilstein
2196-60-3 CAS Registry Number KEGG COMPOUND
2196-60-3 CAS Registry Number ChemIDplus
Last Modified
28 July 2014