KEGG   COMPOUND: C08307
Entry
C08307                      Compound                               

Name
Hordatine A
Formula
C28H38N8O4
Exact mass
550.3016
Mol weight
550.6525
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Others
   Amines
    C08307  Hordatine A
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: amine receptors
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor M3
     C08307  Hordatine A
Other DBs
CAS: 7073-64-5
PubChem: 10505
ChEBI: 5762
ChEMBL: CHEMBL567589
KNApSAcK: C00001415
NIKKAJI: J244.733I
KCF data

ATOM        40
            1   C8y C    16.2549  -16.3787
            2   C1y C    14.9231  -15.9498
            3   C8y C    16.2623  -17.7780
            4   C8x C    17.4737  -15.6790
            5   C1y C    14.1030  -17.0859
            6   C5a C    14.9307  -14.5428
            7   O2x O    14.9307  -18.2144
            8   C8x C    17.4737  -18.4854
            9   C8y C    18.6926  -16.3787
            10  C8y C    12.8991  -17.7931
            11  N1b N    13.7193  -13.8431
            12  O5a O    16.1495  -13.8431
            13  C8x C    18.6926  -17.7780
            14  C2b C    19.9039  -15.6790
            15  C8x C    12.8917  -19.1925
            16  C8x C    11.6879  -17.0934
            17  C1b C    12.5155  -14.5428
            18  C2b C    21.1154  -16.3711
            19  C8x C    11.6803  -19.8998
            20  C8x C    10.4688  -17.7857
            21  C1b C    11.3041  -13.8431
            22  C5a C    22.3266  -15.6713
            23  C8y C    10.5314  -19.1925
            24  C1b C    10.0927  -14.5428
            25  N1b N    23.5380  -16.3636
            26  O5a O    22.3342  -14.2719
            27  O1a O     9.2576  -19.8773
            28  C1b C     8.8815  -13.8431
            29  C1b C    24.7417  -15.6639
            30  N1b N     7.6701  -14.5428
            31  C1b C    25.9532  -16.3560
            32  C2c C     6.4586  -13.8431
            33  C1b C    27.1646  -15.6639
            34  N1a N     5.2473  -14.5428
            35  N2a N     6.4663  -12.4361
            36  C1b C    28.3757  -16.3486
            37  N1b N    29.5948  -15.6563
            38  C2c C    30.8137  -16.3409
            39  N1a N    32.0325  -15.6489
            40  N2a N    30.8211  -17.7479
BOND        42
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Down
            10    6  11 1
            11    6  12 2
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   10  16 1
            16   11  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 2
            23   21  24 1
            24   22  25 1
            25   22  26 2
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   32  35 2
            35   33  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   38  40 2
            40    5   7 1
            41    9  13 1
            42   20  23 1

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