CHEBI:17041 - (S)-N-methylcoclaurine

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ChEBI Name (S)-N-methylcoclaurine
ChEBI ID CHEBI:17041
ChEBI ASCII Name (S)-N-methylcoclaurine
Definition The (S)-enantiomer of N-methylcoclaurine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11056, CHEBI:11057, CHEBI:18768, CHEBI:430
Supplier Information
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Formulae C18H21NO3
C18H21NO3
Net Charge 0
Average Mass 299.36420
Monoisotopic Mass 299.15214
InChI InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1
InChIKey BOKVLBSSPUTWLV-INIZCTEOSA-N
SMILES COc1cc2CCN(C)[C@@H](Cc3ccc(O)cc3)c2cc1O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-N-methylcoclaurine (CHEBI:17041) has role mouse metabolite (CHEBI:75771)
(S)-N-methylcoclaurine (CHEBI:17041) is a N-methylcoclaurine (CHEBI:38818)
(S)-N-methylcoclaurine (CHEBI:17041) is conjugate base of (S)-N-methylcoclaurinium(1+) (CHEBI:57993)
(S)-N-methylcoclaurine (CHEBI:17041) is enantiomer of (R)-N-methylcoclaurine (CHEBI:16387)
Incoming (S)-N-methylcoclaurinium(1+) (CHEBI:57993) is conjugate acid of (S)-N-methylcoclaurine (CHEBI:17041)
(R)-N-methylcoclaurine (CHEBI:16387) is enantiomer of (S)-N-methylcoclaurine (CHEBI:17041)
IUPAC Name
(1S)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Synonyms Sources
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol KEGG COMPOUND
(S)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol ChEBI
(S)-N-Methylcoclaurine KEGG COMPOUND
(S)-N-methylcoclaurine ChEBI
Manual Xrefs Databases
C00025268 KNApSAcK
C05176 KEGG COMPOUND
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Registry Number Type Source
3423-07-2 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016