KEGG   COMPOUND: C06174Help
Entry
C06174                      Compound                               

Name
Codeine;
(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
Formula
C18H21NO3
Exact mass
299.1521
Mol weight
299.3642
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Drug metabolism - cytochrome P450
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.1.1.247       1.14.11.32      1.14.13.-       1.14.14.1       
2.4.1.17
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06174  Codeine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DA Opium alkaloids and derivatives
     R05DA04 Codeine
      C06174  Codeine
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Codeine
    C06174  Codeine
 Second-class OTC drugs
  Inorganic and organic chemicals
   Codeine
    C06174  Codeine
BRITE hierarchy
Other DBs
CAS: 
76-57-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1z C    26.2749  -14.7048
            2   C8y C    26.2458  -13.3977
            3   C1y C    27.3733  -15.3667
            4   C1y C    25.1072  -15.3498
            5   C1x C    27.3733  -14.0373
            6   C8y C    25.1072  -12.7471
            7   C8y C    27.3789  -12.7471
            8   C1y C    28.5120  -14.7160
            9   C2x C    27.3676  -16.6736
            10  O2x O    23.8057  -13.9588
            11  C1y C    25.1014  -16.6569
            12  C1x C    29.6861  -14.0831
            13  C8y C    25.1072  -11.4290
            14  C1x C    28.5176  -13.4034
            15  C8x C    27.3789  -11.4290
            16  N1y N    29.6509  -15.3780
            17  C2x C    26.2289  -17.3188
            18  O1a O    23.9572  -17.3131
            19  C8x C    26.2514  -10.7725
            20  O2a O    23.9684  -10.7725
            21  C1a C    22.8297  -11.4290
            22  C1a C    31.0509  -15.3780
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 2
            17   11  18 1 #Down
            18   13  19 2
            19   13  20 1
            20   20  21 1
            21    6  10 1
            22    8  14 1
            23   11  17 1
            24   12  16 1
            25   15  19 1
            26   16  22 1

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