KEGG   DRUG: Methynodiol diacetateHelp
Entry
D05003                      Drug                                   

Name
Methynodiol diacetate (USAN)
Formula
C25H34O4
Exact mass
398.2457
Mol weight
398.5351
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01666  Progesterone receptor agonist
 DG02004  Progesterone
Efficacy
Contraceptive, Progesterone receptor agonist
Comment
Progestin
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D05003  Methynodiol diacetate (USAN)
BRITE hierarchy
Other DBs
CAS: 23163-51-1
PubChem: 47206731
ChEMBL: CHEMBL2106950
LigandBox: D05003
NIKKAJI: J11.460J
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    23.7466  -20.4808
            2   C1y C    23.7466  -21.8518
            3   C2x C    24.9805  -22.5373
            4   C2y C    26.1459  -21.8518
            5   C1y C    26.1459  -20.4808
            6   C1x C    24.9805  -19.7953
            7   C1x C    27.3112  -22.5373
            8   C1x C    28.5452  -21.8518
            9   C1y C    28.5452  -20.4808
            10  C1y C    27.3112  -19.7953
            11  C1y C    29.7105  -19.7953
            12  C1z C    29.7105  -18.4243
            13  C1x C    28.5452  -17.7387
            14  C1y C    27.3112  -18.4243
            15  O7a O    22.5812  -22.5373
            16  C1a C    26.1459  -17.7387
            17  C7a C    21.4159  -21.8518
            18  C1a C    20.2505  -22.5373
            19  O6a O    21.4159  -20.4808
            20  C1a C    29.7105  -17.0532
            21  C1x C    32.1098  -19.7953
            22  C1x C    32.1098  -18.4243
            23  C1z C    30.8759  -17.7387
            24  O7a O    30.8759  -16.3677
            25  C7a C    32.0632  -15.6822
            26  C1a C    33.2339  -16.3583
            27  O6a O    32.0633  -14.3114
            28  C3b C    32.2469  -17.7387
            29  C3a C    33.6179  -17.7387
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            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   12  13 1
            14   13  14 1
            15   10  14 1
            16    2  15 1 #Up
            17   14  16 1 #Up
            18   15  17 1
            19   17  18 1
            20   17  19 2
            21   12  20 1 #Up
            22   12  11 1
            23   11  21 1
            24   21  22 1
            25   22  23 1
            26   23  12 1
            27   23  24 1 #Up
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   23  28 1 #Down
            32   28  29 3

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