CHEBI:16387 - (R)-N-methylcoclaurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-N-methylcoclaurine
ChEBI ID CHEBI:16387
ChEBI ASCII Name (R)-N-methylcoclaurine
Definition The (R)-enantiomer of N-methylcoclaurine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10993, CHEBI:346, CHEBI:10992, CHEBI:18677
Supplier Information
Download Molfile XML SDF
Formula 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-/m1/s1
InChIKey BOKVLBSSPUTWLV-MRXNPFEDSA-N
SMILES COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1O
ChEBI Ontology
Outgoing (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 (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 Sources
(R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol ChEBI
(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol KEGG COMPOUND
(R)-N-methylcoclaurine ChEBI
(R)-N-Methylcoclaurine KEGG COMPOUND
Manual Xrefs Databases
C00025619 KNApSAcK
C05243 KEGG COMPOUND
View more database links
Registry Number Type Source
5096-70-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014