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CHEBI:16387 - (R)-N-methylcoclaurine

ChEBI IDCHEBI:16387
ChEBI Name(R)-N-methylcoclaurine
Stars
ASCII Name(R)-N-methylcoclaurine
DefinitionThe (R)-enantiomer of N-methylcoclaurine.
Secondary ChEBI IDsCHEBI:346, CHEBI:10992, CHEBI:10993, CHEBI:18677
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H21NO3
Net Charge0
Average Mass299.370
Monoisotopic Mass299.15214
SMILESCOc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2
InChIInChI=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-/m1/s1
InChIKeyBOKVLBSSPUTWLV-MRXNPFEDSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-N-methylcoclaurine (CHEBI:16387) is a N-methylcoclaurine (CHEBI:38818)
(R)-N-methylcoclaurine (CHEBI:16387) is conjugate base of (R)-N-methylcoclaurinium (CHEBI:57755)
(R)-N-methylcoclaurine (CHEBI:16387) is enantiomer of (S)-N-methylcoclaurine (CHEBI:17041)
Incoming Relation(s)
(R)-N-methylcoclaurinium (CHEBI:57755) is conjugate acid of (R)-N-methylcoclaurine (CHEBI:16387)
(S)-N-methylcoclaurine (CHEBI:17041) is enantiomer of (R)-N-methylcoclaurine (CHEBI:16387)
IUPAC Name 
(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Synonyms  Source
(R)-N-MethylcoclaurineKEGG COMPOUND
(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinolKEGG COMPOUND
(R)-N-methylcoclaurineChEBI
(R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinolChEBI
Manual XrefsDatabases
C05243KEGG COMPOUND
C05243KEGG COMPOUND
C00025619KNApSAcK
Registry NumbersSources
CAS:5096-70-8KEGG COMPOUND