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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16387 - (
R
)-
N
-methylcoclaurine
Main
ChEBI Ontology
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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
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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
(1
R
)-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