(S)-coclaurine (CHEBI:15950)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	(S)-coclaurine

ChEBI ID	CHEBI:15950

ChEBI ASCII Name	(S)-coclaurine

Definition	The (S)-enantiomer of coclaurine.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:416, CHEBI:11062

Supplier Information

Download	Molfile XML SDF

Formula

C17H19NO3

Net Charge

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-/m0/s1

InChIKey

LVVKXRQZSRUVPY-HNNXBMFYSA-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 )

ChEBI Ontology
Outgoing	(S)-coclaurine (CHEBI:15950) is a coclaurine (CHEBI:23347) (S)-coclaurine (CHEBI:15950) is conjugate base of (S)-coclaurinium (CHEBI:57581) (S)-coclaurine (CHEBI:15950) is enantiomer of (R)-coclaurine (CHEBI:27482)

Incoming	(S)-coclaurinium (CHEBI:57581) is conjugate acid of (S)-coclaurine (CHEBI:15950) (R)-coclaurine (CHEBI:27482) is enantiomer of (S)-coclaurine (CHEBI:15950)

IUPAC Name

(1S)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

Synonyms	Sources
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol	KEGG COMPOUND
(S)-Coclaurine	KEGG COMPOUND
1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline	KEGG COMPOUND
Coclaurine	ChemIDplus

Last Modified

28 July 2014