KEGG   COMPOUND: C06539Help
Entry
C06539                      Compound                               

Name
Reserpine
Formula
C33H40N2O9
Exact mass
608.2734
Mol weight
608.6787
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C06539  Reserpine
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C06539  Reserpine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
    C02AA Rauwolfia alkaloids
     C02AA02 Reserpine
      D00197  Reserpine (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00197  Reserpine (JP17/USP/INN)
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2143  Rauwolfias
     D00197  Reserpine (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Major facilitator superfamily
   Vesicular monoamine transporter
    Reserpine
     D00197  Reserpine (JP17/USP/INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter inhibitors
  ABCB1
   Reserpine
    D00197  Reserpine (JP17/USP/INN)
  ABCC2
   Reserpine
    D00197  Reserpine (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00197  Reserpine
  D00197  Reserpine tablets
  D00197  0.1% Reserpine powder
  D00197  Reserpine injection
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Indole alkaloids
    D00197  Reserpine (JP15/USP/INN)
Cardiovascular agents [br08364.html]
 Antihypertensives
  D00197
BRITE hierarchy
Other DBs
CAS: 
50-55-5
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        44
            1   C8y C    20.0792  -18.5629
            2   C8y C    18.7936  -18.9840
            3   C8y C    20.9037  -19.6439
            4   C1x C    20.6487  -17.2744
            5   C8y C    18.7267  -20.4027
            6   C8x C    17.4984  -18.2817
            7   N4x N    20.0596  -20.8532
            8   C1x C    22.0603  -17.2723
            9   C8x C    17.5057  -21.1108
            10  C8x C    16.2812  -18.9945
            11  C8y C    16.2853  -20.4049
            12  N1y N    22.8897  -18.3497
            13  C1y C    22.2977  -19.7028
            14  C1x C    23.1127  -20.7867
            15  C1x C    24.2966  -18.3616
            16  C1y C    25.1117  -19.3045
            17  C1y C    24.5200  -20.7943
            18  C1y C    25.3315  -21.7346
            19  C1y C    26.7344  -21.6787
            20  C1y C    27.3259  -20.3293
            21  C1x C    26.5147  -19.3184
            22  O2a O    15.0687  -21.1091
            23  C7a C    24.7409  -23.0103
            24  O7a O    28.7261  -20.3436
            25  O6a O    23.3411  -22.9960
            26  O7a O    25.5506  -24.1596
            27  C7a C    29.2919  -18.8523
            28  O2a O    27.5439  -22.7570
            29  C1a C    28.9440  -22.7703
            30  C1a C    24.9603  -25.4352
            31  C1a C    13.8506  -20.4075
            32  C8y C    30.6901  -18.8581
            33  O6a O    28.5315  -17.7961
            34  C8x C    31.4656  -20.0696
            35  C8y C    32.8633  -20.0755
            36  C8y C    33.5067  -18.8330
            37  C8y C    32.7311  -17.6215
            38  C8x C    31.3334  -17.6157
            39  O2a O    33.4050  -16.3959
            40  O2a O    34.9122  -18.8386
            41  O2a O    33.5944  -21.2833
            42  C1a C    34.9830  -21.2544
            43  C1a C    35.5640  -17.5100
            44  C1a C    34.7732  -16.3668
BOND        49
            1    21  16 1
            2     6  10 1
            3    11  22 1
            4     9  11 1
            5    18  23 1 #Up
            6     5   7 1
            7    20  24 1 #Up
            8     8  12 1
            9    23  25 2
            10   10  11 2
            11   23  26 1
            12   24  27 1
            13    1   2 1
            14    1   3 2
            15    1   4 1
            16   19  28 1 #Down
            17   12  13 1
            18   28  29 1
            19   13  14 1
            20   14  17 1
            21   16  15 1
            22   15  12 1
            23   26  30 1
            24    2   5 1
            25    2   6 2
            26    3   7 1
            27    3  13 1
            28    4   8 1
            29    5   9 2
            30   16  17 1
            31   17  18 1
            32   18  19 1
            33   19  20 1
            34   20  21 1
            35   22  31 1
            36   27  32 1
            37   27  33 2
            38   32  34 2
            39   34  35 1
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   32  38 1
            44   37  39 1
            45   36  40 1
            46   35  41 1
            47   41  42 1
            48   40  43 1
            49   39  44 1

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