KEGG   COMPOUND: C06542Help
Entry
C06542                      Compound                               

Name
Ajmaline
Formula
C20H26N2O2
Exact mass
326.1994
Mol weight
326.4326
Structure
Mol fileKCF fileDB search
Remark
Same as: D00199
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C06542  Ajmaline
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BA Antiarrhythmics, class Ia
     C01BA05 Ajmaline
      D00199  Ajmaline (JP17)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D00199  Ajmaline (JP17)
    SCN2A
     D00199  Ajmaline (JP17)
    SCN3A
     D00199  Ajmaline (JP17)
    SCN4A
     D00199  Ajmaline (JP17)
    SCN5A
     D00199  Ajmaline (JP17)
    SCN8A
     D00199  Ajmaline (JP17)
    SCN9A
     D00199  Ajmaline (JP17)
    SCN10A
     D00199  Ajmaline (JP17)
    SCN11A
     D00199  Ajmaline (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00199  Ajmaline
  D00199  Ajmaline tablets
BRITE hierarchy
Other DBs
CAS: 4360-12-7
PubChem: 8772
ChEBI: 28462
KNApSAcK: C00001679 C00024294
3DMET: B02065
NIKKAJI: J15.133E
KCF data Show

ATOM        24
            1   C8x C    22.5400  -33.0400
            2   C8x C    22.5400  -34.4400
            3   C8x C    23.7524  -35.1400
            4   C8y C    24.9649  -34.4400
            5   C8y C    24.9649  -33.0400
            6   C8x C    23.7524  -32.3400
            7   N1y N    26.1773  -35.1400
            8   C1y C    27.3897  -34.4400
            9   C1z C    27.3897  -33.0400
            10  C1a C    26.1773  -36.5400
            11  C1y C    28.6022  -35.1400
            12  N1y N    29.8146  -34.4400
            13  C1y C    29.8146  -33.0400
            14  C1x C    28.6022  -32.3400
            15  C1x C    28.6022  -36.5400
            16  C1y C    29.8146  -37.2400
            17  C1y C    31.0270  -36.5400
            18  C1y C    31.0270  -35.1400
            19  C1b C    32.2266  -37.2327
            20  C1a C    33.4159  -36.5460
            21  O1a O    32.2266  -34.4473
            22  C1y C    31.3669  -31.7577
            23  C1y C    27.5297  -30.4500
            24  O1a O    26.7399  -29.2808
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9   5 1 #Down
            11    7  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1 #Up
            23   19  20 1
            24   18  21 1 #Down
            25   16  22 1 #Up
            26   13  22 1 #Up
            27    9  23 1
            28   22  23 1
            29   23  24 1 #Down

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