KEGG   DRUG: SyrosingopineHelp
Entry
D01659                      Drug                                   

Name
Syrosingopine (JAN/INN);
Siringina (TN)
Formula
C35H42N2O11
Exact mass
666.2789
Mol weight
666.7148
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01738  Centrally-acting antiadrenergic
  DG01737  Rauwolfia alkaloid
Efficacy
Antihypertensive
Comment
Rauwolfia alkaloid
Interaction
Drug interaction
Other DBs
CAS: 84-36-6
PubChem: 7848722
ChEBI: 32175
ChEMBL: CHEMBL1399124
LigandBox: D01659
NIKKAJI: J3.879B
LinkDB All DBs
KCF data Show

ATOM        48
            1   C8x C    21.9069  -15.2574
            2   C8y C    21.9069  -16.6551
            3   C8x C    23.1173  -17.3540
            4   C8y C    24.3277  -16.6551
            5   C8y C    24.3277  -15.2574
            6   C8x C    23.1173  -14.5586
            7   N4x N    25.6572  -17.0870
            8   C8y C    26.4786  -15.9563
            9   C8y C    25.6572  -14.8255
            10  O2a O    20.6964  -17.3540
            11  C1a C    19.5029  -16.6647
            12  C1y C    27.8472  -15.9563
            13  C1x C    28.5459  -17.1667
            14  N1y N    28.5459  -14.7459
            15  C1x C    29.9435  -14.7459
            16  C1x C    27.8567  -13.5524
            17  C1x C    26.4497  -13.5523
            18  C1y C    30.6521  -15.9730
            19  C1y C    29.9435  -17.1667
            20  C1y C    30.6276  -18.3856
            21  C1y C    32.0251  -18.4025
            22  C1y C    32.7338  -17.2090
            23  C1x C    32.0498  -15.9901
            24  O7a O    34.1314  -17.2259
            25  C7a C    34.8450  -16.0241
            26  O6a O    34.1609  -14.7353
            27  C8y C    36.2417  -16.0040
            28  C7a C    29.9140  -19.5874
            29  O6a O    30.5982  -20.8064
            30  O2a O    32.7092  -19.6214
            31  O7a O    28.5163  -19.5874
            32  C1a C    34.1070  -19.6214
            33  C8x C    36.9656  -17.2167
            34  C8y C    38.3633  -17.1965
            35  C8y C    39.0445  -15.9759
            36  C8y C    38.3206  -14.7631
            37  C8x C    36.9229  -14.7835
            38  C1a C    27.8238  -20.7870
            39  O7a O    40.4265  -15.9556
            40  O2a O    39.0017  -13.5426
            41  O2a O    39.0784  -18.3947
            42  C1a C    38.3551  -19.6178
            43  C7a C    41.1495  -17.1662
            44  O7a O    42.5192  -17.1458
            45  O6a O    40.4617  -18.3998
            46  C1b C    43.2450  -18.3607
            47  C1a C    40.4027  -13.5426
            48  C1a C    42.5757  -19.5613
BOND        53
            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 2
            10    5   9 1
            11    2  10 1
            12   10  11 1
            13    8  12 1
            14   12  13 1
            15   12  14 1
            16   14  15 1
            17   14  16 1
            18   16  17 1
            19   17   9 1
            20   15  18 1
            21   13  19 1
            22   19  18 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   18  23 1
            28   22  24 1 #Up
            29   24  25 1
            30   25  26 2
            31   25  27 1
            32   20  28 1 #Up
            33   28  29 2
            34   21  30 1 #Down
            35   28  31 1
            36   30  32 1
            37   27  33 2
            38   33  34 1
            39   34  35 2
            40   35  36 1
            41   36  37 2
            42   27  37 1
            43   31  38 1
            44   35  39 1
            45   36  40 1
            46   34  41 1
            47   41  42 1
            48   39  43 1
            49   43  44 1
            50   43  45 2
            51   44  46 1
            52   40  47 1
            53   46  48 1

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