KEGG   COMPOUND: C06540Help
Entry
C06540                      Compound                               

Name
Rescinnamine
Formula
C35H42N2O9
Exact mass
634.289
Mol weight
634.716
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C06540  Rescinnamine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
    C02AA Rauwolfia alkaloids
     C02AA01 Rescinnamine
      D00198  Rescinnamine (JAN/INN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Indole alkaloids
    D00198  Rescinnamine (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
24815-24-5
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        46
            1   C8y C    19.0369  -18.0842
            2   C8y C    17.6804  -18.5056
            3   C8y C    19.8619  -19.2360
            4   C1x C    19.6067  -16.7949
            5   C8y C    17.6835  -19.9252
            6   C8x C    16.4545  -17.8029
            7   N4x N    19.0173  -20.3760
            8   C1x C    21.0192  -16.7928
            9   C8x C    16.4618  -20.6337
            10  C8x C    15.2365  -18.5161
            11  C8y C    15.2406  -19.9274
            12  N1y N    21.8491  -17.8709
            13  C1y C    21.2567  -19.2248
            14  C1x C    22.0723  -20.3094
            15  C1x C    23.2569  -17.8828
            16  C1y C    24.0725  -18.8263
            17  C1y C    23.4804  -20.3170
            18  C1y C    24.2924  -21.2579
            19  C1y C    25.6962  -21.2720
            20  C1y C    26.2881  -19.8517
            21  C1x C    25.4764  -18.8402
            22  O2a O    14.0232  -20.6320
            23  C7a C    23.7015  -22.5344
            24  O7a O    27.6891  -19.8660
            25  O6a O    22.3008  -22.5201
            26  O7a O    24.5117  -23.6844
            27  C7a C    28.2553  -18.4439
            28  O2a O    26.5062  -22.2809
            29  C1a C    27.9072  -22.2942
            30  C1a C    23.9210  -24.9608
            31  C1a C    12.8044  -19.9300
            32  C2b C    29.6544  -18.3796
            33  O6a O    27.4944  -17.3170
            34  C2b C    30.3665  -19.6954
            35  C8y C    31.7740  -19.7017
            36  C8x C    32.4544  -20.9617
            37  C8y C    33.8541  -20.8976
            38  C8y C    34.5591  -19.6882
            39  C8y C    33.8785  -18.4983
            40  C8x C    32.4788  -18.4924
            41  O2a O    34.5978  -22.1260
            42  C1a C    35.9732  -22.0972
            43  O2a O    35.9732  -19.6943
            44  C1a C    36.6898  -18.4659
            45  O2a O    34.5909  -17.2765
            46  C1a C    35.9734  -17.2826
BOND        51
            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   38  39 1
            44   39  40 2
            45   35  40 1
            46   37  41 1
            47   41  42 1
            48   38  43 1
            49   43  44 1
            50   39  45 1
            51   45  46 1

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