KEGG   DRUG: QuingestroneHelp
Entry
D05680                      Drug                                   

Name
Quingestrone (USAN/INN)
Formula
C26H38O2
Exact mass
382.2872
Mol weight
382.5787
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Contraceptive
Comment
Progestin
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D05680  Quingestrone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 67-95-8
PubChem: 47207341
ChEMBL: CHEMBL2104568
LigandBox: D05680
NIKKAJI: J4.854B
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1x C    25.1207  -22.2587
            2   C2y C    25.1207  -23.6186
            3   C2x C    26.2985  -24.2985
            4   C2y C    27.4763  -23.6186
            5   C1z C    27.4763  -22.2587
            6   C1x C    26.2985  -21.5786
            7   C2x C    28.6539  -24.2985
            8   C1x C    29.8317  -23.6186
            9   C1y C    29.8317  -22.2587
            10  C1y C    28.6539  -21.5786
            11  C1y C    31.0095  -21.5786
            12  C1z C    31.0095  -20.2187
            13  C1x C    29.8317  -19.5388
            14  C1x C    28.6539  -20.2187
            15  O2a O    23.9432  -24.2985
            16  C1a C    31.0095  -18.8588
            17  C1y C    22.7593  -23.6152
            18  C1x C    22.7593  -22.2383
            19  C1x C    21.4499  -21.8130
            20  C1x C    20.6405  -22.9267
            21  C1x C    21.4499  -24.0407
            22  C1x C    33.4377  -21.5786
            23  C1x C    33.4377  -20.2187
            24  C1y C    32.2236  -19.5178
            25  C1a C    27.4763  -20.8504
            26  C5a C    32.2230  -18.1434
            27  O5a O    30.9872  -17.4304
            28  C1a C    33.4258  -17.4482
BOND        32
            1     1   2 1
            2     2   3 2
            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    2  15 1
            18   12  16 1 #Up
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   17  21 1
            25   11  22 1
            26   22  23 1
            27   23  24 1
            28   12  24 1
            29    5  25 1 #Up
            30   24  26 1 #Up
            31   26  27 2
            32   26  28 1

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