KEGG   DRUG: Levonantradol hydrochloride
Entry
D04717                      Drug                                   

Name
Levonantradol hydrochloride (USAN)
Formula
C27H35NO4. HCl
Exact mass
473.2333
Mol weight
474.032
Structure
Simcomp
Efficacy
Analgesic
Target
CNR1 [HSA:1268] [KO:K04277]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04723  Retrograde endocannabinoid signaling
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    CNR1
     D04717  Levonantradol hydrochloride (USAN)
Other DBs
CAS: 70222-86-5
PubChem: 47206542
ChEMBL: CHEMBL2107412
LigandBox: D04717
LinkDB
KCF data

ATOM        33
            1   C1x C    42.6300  -26.8800
            2   C1y C    42.6300  -28.2800
            3   C1y C    43.8200  -28.9800
            4   C1x C    45.0800  -28.2800
            5   C1x C    45.0800  -26.8800
            6   C1y C    43.8200  -26.1800
            7   C8y C    41.4400  -28.9800
            8   C8y C    41.4400  -30.3800
            9   N1x N    42.6300  -31.0800
            10  C1y C    43.8200  -30.3800
            11  C8y C    40.1800  -28.2800
            12  C8x C    38.9900  -28.9800
            13  C8y C    38.9900  -30.3800
            14  C8x C    40.1800  -31.0800
            15  O1a O    43.8200  -24.7800
            16  C1a C    45.0100  -31.0800
            17  O7a O    40.1800  -26.8800
            18  C7a C    38.9900  -26.1800
            19  C1a C    37.8000  -26.8800
            20  O6a O    38.9900  -24.7800
            21  O2a O    37.8000  -31.0800
            22  C1c C    36.6100  -30.3800
            23  C1b C    35.4200  -31.0800
            24  C1a C    36.6100  -28.9800
            25  C1b C    34.2300  -30.3800
            26  C1b C    33.0400  -31.0800
            27  C8y C    31.8500  -30.3800
            28  C8x C    31.8500  -28.9800
            29  C8x C    30.5900  -28.2800
            30  C8x C    29.4000  -28.9800
            31  C8x C    29.4000  -30.3800
            32  C8x C    30.5900  -31.0800
            33  X   Cl   49.5600  -28.4900
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    7  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    8  14 2
            17    6  15 1 #Down
            18   10  16 1 #Down
            19   11  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   13  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 1 #Up
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1

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