KEGG   COMPOUND: C06542Help
Entry
C06542                      Compound                               

Name
Ajmaline
Formula
C20H26N2O2
Exact mass
326.1994
Mol weight
326.4326
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Indole alkaloid biosynthesis
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 cation channels
   Na+ channel, SCN alpha, NaV1.x
    voltage-gated sodium channel (SCN1A)
     Ajmaline
      D00199  Ajmaline (JP17)
    voltage-gated sodium channel (SCN2A)
     Ajmaline
      D00199  Ajmaline (JP17)
    voltage-gated sodium channel (SCN3A)
     Ajmaline
      D00199  Ajmaline (JP17)
    voltage-gated sodium channel (SCN4A)
     Ajmaline
      D00199  Ajmaline (JP17)
    voltage-gated sodium channel (SCN5A)
     Ajmaline
      D00199  Ajmaline (JP17)
    voltage-gated sodium channel (SCN8A)
     Ajmaline
      D00199  Ajmaline (JP17)
    voltage-gated sodium channel (SCN9A)
     Ajmaline
      D00199  Ajmaline (JP17)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP2D6
   Ajmaline
    D00199  Ajmaline (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00199  Ajmaline
  D00199  Ajmaline tablets
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Indole alkaloids
    D00199  Ajmaline (JP15)
BRITE hierarchy
Other DBs
CAS: 
4360-12-7
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
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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