KEGG   DRUG: Monoammonium glycyrrhizinate
Entry
D04987                      Drug                                   

Name
Monoammonium glycyrrhizinate (JAN);
Ammonium glycyrrhizate (NF);
Glycyron No.1 (TN)
Formula
C42H62O16. NH3
Exact mass
839.4303
Mol weight
839.9626
Structure
Simcomp
Remark
Same as: C18610
Product (mixture): D04990<JP> D04993<JP>
Efficacy
Anti-inflammatory
Comment
Component of Glycyron (TN), Stronger neo minophagen C (TN)
Target
HSD11B1 [HSA:3290] [KO:K15680]
  Pathway
hsa00140  Steroid hormone biosynthesis
Interaction
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Glycyrrhizin
    D04987  Monoammonium glycyrrhizinate (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HSD11B1
     D04987  Monoammonium glycyrrhizinate (JAN)
Other DBs
CAS: 53956-04-0
PubChem: 47206717
ChEBI: 81864
ChEMBL: CHEMBL2029099 CHEMBL2137384
LigandBox: D04987
NIKKAJI: J281.050F
KCF data

ATOM        59
            1   C1y C    26.3200  -16.5900
            2   C1z C    27.4400  -17.2200
            3   C1z C    25.2000  -17.1500
            4   C5x C    26.3200  -15.2600
            5   C1z C    28.5600  -16.5200
            6   C1x C    27.4400  -18.5500
            7   C1a C    28.6300  -17.9200
            8   C1y C    25.2000  -18.5500
            9   C1x C    24.0100  -16.5900
            10  C2x C    27.4400  -14.6300
            11  O5x O    25.1300  -14.6300
            12  C2y C    28.5600  -15.2600
            13  C1x C    29.6800  -17.2200
            14  C1a C    29.4700  -15.5400
            15  C1x C    26.3200  -19.1800
            16  C1z C    24.0800  -19.2500
            17  C1x C    22.8900  -17.2900
            18  C1y C    29.6800  -14.6300
            19  C1x C    30.8000  -16.7300
            20  C1y C    22.8900  -18.5500
            21  C1z C    30.8000  -15.2600
            22  C1x C    29.6800  -13.3000
            23  O2a O    20.5800  -20.0900
            24  C1x C    31.9200  -14.5600
            25  C1a C    31.9900  -15.9600
            26  C1z C    30.8000  -12.6000
            27  C1y C    22.8200  -22.8900
            28  C1x C    31.9200  -13.3000
            29  C6a C    31.9900  -11.9700
            30  C1a C    29.8200  -11.6900
            31  C1y C    22.8200  -24.2200
            32  O2x O    24.0100  -22.1900
            33  O6a O    33.1800  -12.6000
            34  O6a O    31.9200  -10.8500
            35  O2a O    21.7000  -24.9200
            36  C1y C    24.0100  -24.9200
            37  C1y C    25.2000  -22.8900
            38  C1y C    20.5100  -25.6200
            39  C1y C    25.2000  -24.2200
            40  O1a O    24.0100  -26.2500
            41  C6a C    26.3900  -22.1900
            42  O2x O    19.3200  -24.9200
            43  C1y C    20.5100  -26.9500
            44  O1a O    26.3900  -24.9200
            45  O6a O    26.3900  -20.8600
            46  C1y C    18.1300  -25.6200
            47  C1y C    19.3200  -27.6500
            48  O1a O    21.7000  -27.6500
            49  C1y C    18.1300  -26.9500
            50  C6a C    16.9400  -24.9200
            51  O1a O    19.3200  -28.9800
            52  O1a O    16.9400  -27.6500
            53  O6a O    17.0100  -23.5900
            54  C1a C    25.2000  -15.6100
            55  C1a C    23.2302  -20.3626
            56  C1a C    24.3943  -20.6143
            57  O6a O    27.6053  -22.8851
            58  O6a O    15.7069  -25.5829
            59  N0  N    37.8700  -20.6500
BOND        64
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     2   7 1 #Up
            6     3   8 1
            7     3   9 1
            8     4  10 1
            9     4  11 2
            10    5  12 1
            11    5  13 1
            12    5  14 1 #Down
            13    6  15 1
            14    8  16 1
            15    9  17 1
            16   12  18 1
            17   13  19 1
            18   16  20 1
            19   18  21 1
            20   18  22 1
            21   20  23 1 #Up
            22   21  24 1
            23   21  25 1 #Up
            24   22  26 1
            25   27  23 1 #Up
            26   24  28 1
            27   26  29 1 #Up
            28   26  30 1 #Down
            29   27  31 1
            30   27  32 1
            31   29  33 1
            32   29  34 2
            33   31  35 1 #Up
            34   31  36 1
            35   32  37 1
            36   38  35 1 #Up
            37   36  39 1
            38   36  40 1 #Down
            39   37  41 1 #Down
            40   38  42 1
            41   38  43 1
            42   39  44 1 #Up
            43   41  45 2
            44   42  46 1
            45   43  47 1
            46   43  48 1 #Down
            47   46  49 1
            48   46  50 1 #Up
            49   47  51 1 #Up
            50   49  52 1 #Down
            51   50  53 2
            52    8  15 1
            53   10  12 2
            54   17  20 1
            55   19  21 1
            56   26  28 1
            57   37  39 1
            58   47  49 1
            59    3  54 1 #Up
            60    1   2 1
            61   16  55 1 #Up
            62   16  56 1 #Down
            63   41  57 1
            64   50  58 1

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