KEGG   DRUG: Methandriol dipropionateHelp
Entry
D08197                      Drug                                   

Name
Methandriol dipropionate;
Anadiol (TN)
Formula
C26H40O4
Exact mass
416.2927
Mol weight
416.5934
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Remark
Same as: C14634
Chemical structure group: DG01276
Efficacy
Anabolic, Androgen receptor agonist
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08197  Methandriol dipropionate
BRITE hierarchy
Other DBs
CAS: 3593-85-9
PubChem: 96024887
ChEBI: 34835
LigandBox: D08197
NIKKAJI: J205.522H
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    21.2407  -19.9782
            2   C1y C    21.2407  -21.3803
            3   C1x C    22.3623  -22.0112
            4   C2y C    23.5541  -21.3803
            5   C1z C    23.5541  -19.9782
            6   C1x C    22.3623  -19.3472
            7   C2x C    24.7459  -22.0112
            8   C1x C    25.9377  -21.3803
            9   C1y C    25.9377  -19.9782
            10  C1y C    24.7459  -19.3472
            11  C1y C    27.1294  -19.3472
            12  C1z C    27.1294  -17.9451
            13  C1x C    25.9377  -17.2441
            14  C1x C    24.7459  -17.9451
            15  C1x C    29.5130  -19.3472
            16  C1x C    29.5130  -17.9451
            17  C1z C    28.3212  -17.2441
            18  C1a C    27.1294  -16.6132
            19  O7a O    28.3212  -15.9121
            20  O7a O    19.9788  -22.0813
            21  C1a C    29.6532  -16.8936
            22  C1a C    23.5541  -18.5761
            23  C7a C    18.7763  -21.3603
            24  C1b C    17.5506  -22.0412
            25  O6a O    18.7992  -19.9783
            26  C7a C    28.3212  -14.5100
            27  C1b C    29.5354  -13.8090
            28  C1a C    30.7327  -14.5004
            29  O6a O    27.1070  -13.8090
            30  C1a C    16.3680  -21.3321
BOND        33
            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 2
            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 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 1 #Up
            24   17  21 1 #Down
            25    5  22 1 #Up
            26   20  23 1
            27   23  24 1
            28   23  25 2
            29   19  26 1
            30   26  27 1
            31   27  28 1
            32   26  29 2
            33   24  30 1

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