KEGG   COMPOUND: C18130Help
Entry
C18130                      Compound                               

Name
Norbinaltorphimine;
norBNI
Formula
C40H43N3O6
Exact mass
661.3152
Mol weight
661.7859
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    kappa-opioid receptor
     C18130  Norbinaltorphimine
BRITE hierarchy
Other DBs
CAS: 105618-26-6
PubChem: 96024347
ChEBI: 81529
ChEMBL: CHEMBL2365677 CHEMBL573214
NIKKAJI: J294.533I
KCF data Show

ATOM        49
            1   C1z C    25.6132  -19.1890
            2   C8y C    24.2763  -19.1807
            3   C1z C    26.3239  -18.0675
            4   C1y C    26.2395  -20.3187
            5   C1x C    24.8465  -18.0588
            6   C8y C    23.6361  -20.3027
            7   C8y C    23.6499  -18.0510
            8   C1y C    25.6266  -17.0077
            9   C1x C    27.5201  -18.0748
            10  O2x O    24.8240  -21.6470
            11  C8y C    27.5062  -20.3265
            12  C1x C    24.8600  -15.8774
            13  C8y C    22.3694  -20.2954
            14  C1x C    24.3601  -16.9998
            15  C8x C    22.3833  -18.0436
            16  N1y N    26.3373  -15.8861
            17  C8y C    28.2168  -19.2051
            18  C8x C    21.7436  -19.0948
            19  O1a O    21.7293  -21.4169
            20  O1a O    27.1756  -16.8764
            21  C1b C    25.6410  -14.6855
            22  C1y C    26.3520  -13.4935
            23  C1x C    27.5520  -12.8676
            24  C1x C    26.2897  -12.2271
            25  C8y C    29.5537  -19.2133
            26  C8y C    30.2505  -20.3435
            27  N4x N    28.8354  -21.6013
            28  C1z C    32.1573  -19.2292
            29  C8y C    33.4943  -19.2375
            30  C1z C    31.4606  -18.0291
            31  C1y C    31.5171  -20.3513
            32  C1x C    32.9377  -18.1077
            33  C8y C    34.1207  -20.2975
            34  C8y C    34.1346  -18.0457
            35  C1y C    32.1708  -17.0479
            36  C1x C    30.2644  -18.0917
            37  O2x O    32.9162  -21.6969
            38  C1x C    32.9513  -15.8564
            39  C8y C    35.3873  -20.3047
            40  C1x C    33.4374  -17.0556
            41  C8x C    35.4011  -18.0530
            42  N1y N    31.4740  -15.9177
            43  C8x C    36.0279  -19.1827
            44  O1a O    36.0137  -21.5049
            45  O1a O    30.6236  -16.8976
            46  C1b C    32.1851  -14.7258
            47  C1y C    31.5586  -13.5252
            48  C1x C    30.2965  -12.8846
            49  C1x C    31.5666  -12.2586
BOND        61
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   13  18 2
            18   13  19 1
            19    6  10 1
            20    8  14 1
            21   11  17 2
            22   12  16 1
            23   15  18 1
            24    3  20 1 #Up
            25   21  22 1
            26   21  16 1
            27   23  24 1
            28   24  22 1
            29   22  23 1
            30   17  25 1
            31   25  26 2
            32   11  27 1
            33   27  26 1
            34   28  29 1
            35   28  30 1
            36   28  31 1
            37   28  32 1 #Down
            38   29  33 2
            39   29  34 1
            40   30  35 1
            41   30  36 1
            42   31  37 1 #Up
            43   31  26 1
            44   32  38 1
            45   33  39 1
            46   34  40 1
            47   34  41 2
            48   35  42 1 #Down
            49   36  25 1
            50   39  43 2
            51   39  44 1
            52   33  37 1
            53   35  40 1
            54   38  42 1
            55   41  43 1
            56   30  45 1 #Down
            57   46  47 1
            58   46  42 1
            59   48  49 1
            60   49  47 1
            61   47  48 1

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