KEGG   DRUG: QuinestrolHelp
Entry
D00576                      Drug                                   

Name
Quinestrol (USAN/INN);
Estrovis (TN)
Formula
C25H32O2
Exact mass
364.2402
Mol weight
364.5204
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Remark
Same as: C07619
Efficacy
Replenisher (estrogen)
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D00576  Quinestrol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 152-43-2
PubChem: 7847642
ChEBI: 8716
ChEMBL: CHEMBL1201165
DrugBank: DB04575
LigandBox: D00576
NIKKAJI: J5.865C
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    20.9778   -9.5915
            2   C8y C    20.9778  -10.9495
            3   C8x C    22.1539  -11.6285
            4   C8y C    23.3301  -10.9495
            5   C8y C    23.3301   -9.5915
            6   C8x C    22.1539   -8.9124
            7   C1x C    24.5061  -11.6285
            8   C1x C    25.6823  -10.9495
            9   C1y C    25.6823   -9.5915
            10  C1y C    24.5061   -8.9124
            11  C1y C    26.8585   -8.9124
            12  C1z C    26.8585   -7.5543
            13  C1x C    25.6823   -6.8753
            14  C1x C    24.5061   -7.5543
            15  O2a O    19.8017  -11.6285
            16  C1a C    26.8585   -6.1963
            17  C1y C    18.6195  -10.9462
            18  C1x C    18.6195   -9.5712
            19  C1x C    17.3118   -9.1464
            20  C1x C    16.5036  -10.2587
            21  C1x C    17.3118  -11.3711
            22  C1x C    29.2834   -8.9124
            23  C1x C    29.2834   -7.5543
            24  C1z C    28.0709   -6.8543
            25  O1a O    28.0709   -5.1800
            26  C3b C    29.2834   -6.1543
            27  C3a C    30.4958   -5.4543
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

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