KEGG   COMPOUND: C07619
Entry
C07619                      Compound                               
Name
Quinestrol
Formula
C25H32O2
Exact mass
364.2402
Mol weight
364.5204
Structure
Remark
Same as: D00576
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C07619  Quinestrol
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   D00576  Quinestrol
  DG01584  Estrogen receptor agonist
   D00576  Quinestrol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D00576  Quinestrol (USAN/INN)
Other DBs
CAS: 152-43-2
PubChem: 9821
ChEBI: 8716
LIPIDMAPS: LMST02010037
3DMET: B02134
NIKKAJI: J5.865C
KCF data

ATOM        27
            1   C8x C    29.5627  -18.3680
            2   C8y C    29.5627  -19.7199
            3   C8x C    30.7335  -20.3958
            4   C8y C    31.9044  -19.7199
            5   C8y C    31.9044  -18.3680
            6   C8x C    30.7335  -17.6920
            7   C1x C    33.0751  -20.3958
            8   C1x C    34.2459  -19.7199
            9   C1y C    34.2459  -18.3680
            10  C1y C    33.0751  -17.6920
            11  C1y C    35.4168  -17.6920
            12  C1z C    35.4168  -16.3401
            13  C1x C    34.2459  -15.6641
            14  C1x C    33.0751  -16.3401
            15  O2a O    28.3920  -20.3958
            16  C1a C    35.4168  -14.9882
            17  C1y C    27.2151  -19.7166
            18  C1x C    27.2151  -18.3478
            19  C1x C    25.9134  -17.9250
            20  C1x C    25.1088  -19.0322
            21  C1x C    25.9134  -20.1396
            22  C1x C    37.8307  -17.6920
            23  C1x C    37.8307  -16.3401
            24  C1z C    36.6237  -15.6432
            25  O1a O    36.6237  -13.9765
            26  C3b C    37.8307  -14.9464
            27  C3a C    39.0376  -14.2496
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            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 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   24  25 1 #Up
            30   24  26 1 #Down
            31   26  27 3

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   LIPIDBANK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
All databases (8)   

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