KEGG   COMPOUND: C05176Help
Entry
C05176                      Compound                               

Name
(S)-N-Methylcoclaurine;
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
Formula
C18H21NO3
Exact mass
299.1521
Mol weight
299.3642
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.71      1.14.18.1       1.14.21.3       2.1.1.115       
2.1.1.140
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05176  (S)-N-Methylcoclaurine
BRITE hierarchy
Other DBs
CAS: 3423-07-2
PubChem: 7587
ChEBI: 17041
ChEMBL: CHEMBL513109
KNApSAcK: C00025268
3DMET: B01819
NIKKAJI: J351.144H
KCF data Show

ATOM        22
            1   C8y C    25.8671  -21.9891
            2   C1y C    27.0853  -21.2981
            3   C8y C    25.9313  -23.3946
            4   C8x C    24.6608  -21.2923
            5   C1b C    27.0911  -19.8926
            6   N1y N    28.2975  -22.0009
            7   C8x C    24.6608  -24.0914
            8   C1x C    27.0736  -24.0974
            9   C8y C    23.4426  -21.9891
            10  C8y C    28.3092  -19.2016
            11  C1x C    28.2916  -23.4004
            12  C1a C    29.5098  -21.3041
            13  C8y C    23.4426  -23.3946
            14  O1a O    22.2304  -21.2923
            15  C8x C    29.5155  -19.9043
            16  C8x C    28.3092  -17.8020
            17  O2a O    22.2304  -24.0914
            18  C8x C    30.7278  -19.2133
            19  C8x C    29.5273  -17.1050
            20  C1a C    21.0183  -23.3946
            21  C8y C    30.7335  -17.8078
            22  O1a O    31.9517  -17.1168
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1 #Down
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 2
            15   10  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   18  21 2
            21   21  22 1
            22    8  11 1
            23    9  13 2
            24   19  21 1

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