KEGG   DRUG: Dipotassium glycyrrhizinate
Entry
D02264                      Drug                                   
Name
Dipotassium glycyrrhizinate (JAN);
Glycyrrhizinate dipotassium;
Neubormitin (TN)
Formula
C42H60O16. 2K
Exact mass
898.3156
Mol weight
899.1128
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
Remark
Same as: C14049
Chemical structure group: DG03217
Efficacy
Anti-inflammatory (ophthalmic)
Target
HSD11B1 [HSA:3290] [KO:K15680]
  Pathway
hsa00140  Steroid hormone biosynthesis
Interaction
Brite
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D02264  Dipotassium glycyrrhizinate (JAN)
 Agents for ophthalmologic use
  62 General eye drops
   D02264  Dipotassium glycyrrhizinate (JAN)
  67 Eyewash
   D02264  Dipotassium glycyrrhizinate (JAN)
 Agents for otolaryngologic use
  69 Oral medicine for nasal inflammation
   D02264  Dipotassium glycyrrhizinate (JAN)
 Agents for dental and stomatological use
  73 Stomatologic and laryngologic remedies (incl. toche without claims for cough and phlegm)
   D02264  Dipotassium glycyrrhizinate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Glycyrrhizin
    D02264  Dipotassium glycyrrhizinate (JAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D02264  Dipotassium glycyrrhizinate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HSD11B1
     D02264  Dipotassium glycyrrhizinate (JAN)
Other DBs
CAS: 68797-35-3
PubChem: 7849323
ChEBI: 79402
LigandBox: D02264
NIKKAJI: J575.578F
KCF data

ATOM        60
            1   C1x C    29.4700  -17.3600
            2   C1y C    29.4700  -18.7600
            3   C1z C    30.6600  -19.4600
            4   C1y C    31.9200  -18.7600
            5   C1z C    31.9200  -17.3600
            6   C1x C    30.6600  -16.6600
            7   C1x C    33.1100  -19.4600
            8   C1x C    34.3000  -18.7600
            9   C1z C    34.3000  -17.3600
            10  C1y C    33.1100  -16.6600
            11  C1z C    35.5600  -16.6600
            12  C2y C    35.5600  -15.2600
            13  C2x C    34.3000  -14.5600
            14  C5x C    33.1100  -15.2600
            15  C1x C    36.7500  -17.3600
            16  C1x C    37.9400  -16.6600
            17  C1z C    37.9400  -15.2600
            18  C1y C    36.7500  -14.5600
            19  C1x C    39.2000  -14.5600
            20  C1x C    39.2000  -13.1600
            21  C1z C    37.9400  -12.4600
            22  C1x C    36.7500  -13.1600
            23  O2a O    28.2800  -16.6600
            24  C1y C    27.0200  -17.3600
            25  C1y C    27.0200  -18.7600
            26  O2a O    28.2800  -19.4600
            27  C1y C    25.8300  -16.6600
            28  C1y C    24.6400  -17.3600
            29  C1y C    24.6400  -18.7600
            30  O2x O    25.8300  -19.4600
            31  C6a C    39.2000  -11.7600
            32  O6a O    39.2000  -10.3600
            33  C1a C    36.7500  -11.7600
            34  O6a O    40.3900  -12.4600
            35  C1a C    39.2000  -15.9600
            36  C1a C    35.5600  -18.0600
            37  C1a C    31.9200  -15.9600
            38  C1a C    36.1900  -15.8900
            39  O5x O    31.9200  -14.5600
            40  C6a C    23.4500  -19.4600
            41  O1a O    25.8300  -15.2600
            42  O1a O    23.4500  -16.6600
            43  C1y C    28.2800  -14.2800
            44  O2x O    29.4700  -13.5800
            45  C1y C    29.4700  -12.1800
            46  C1y C    28.2800  -11.4800
            47  C1y C    27.0200  -12.1800
            48  C1y C    27.0200  -13.5800
            49  O1a O    25.8300  -11.4800
            50  C6a C    30.6600  -11.4800
            51  O1a O    28.2800  -10.0800
            52  O1a O    25.8300  -14.2800
            53  O6a O    22.2600  -18.7600 #-
            54  O6a O    23.4500  -20.8600
            55  O6a O    31.8500  -12.1800 #-
            56  O6a O    30.6600  -10.0800
            57  C1a C    30.6600  -21.1400
            58  C1a C    29.4700  -20.4400
            59  Z   K    33.4600  -12.2500 #+
            60  Z   K    20.6500  -18.7600 #+
BOND        64
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27   24  23 1 #Up
            28   24  25 1
            29   25  26 1 #Up
            30    2  26 1 #Up
            31   24  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   25  30 1
            36   21  31 1 #Up
            37   31  32 2
            38   21  33 1 #Down
            39   31  34 1
            40   17  35 1 #Up
            41    9  36 1 #Up
            42    5  37 1 #Up
            43   11  38 1 #Down
            44   14  39 2
            45   29  40 1 #Down
            46   27  41 1 #Down
            47   28  42 1 #Up
            48   43  23 1 #Up
            49   43  44 1
            50   44  45 1
            51   45  46 1
            52   46  47 1
            53   47  48 1
            54   43  48 1
            55   47  49 1 #Up
            56   45  50 1 #Up
            57   46  51 1 #Down
            58   48  52 1 #Down
            59   40  53 1
            60   40  54 2
            61   50  55 1
            62   50  56 2
            63    3  57 1
            64    3  58 1

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Ontology (4)   
   KEGG BRITE (4)   
Drug (3)   
   KEGG DGROUP (2)   
   LigandBox (1)   
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   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
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