KEGG   DRUG: Estriol succinateHelp
Entry
D07920                      Drug                                   

Name
Estriol succinate;
Estriol 16alfa, 17beta-di (hydrogen succinate);
Sinapause (TN)
Formula
C26H32O9
Exact mass
488.2046
Mol weight
488.5269
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Remark
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP> D01986<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA04 Estriol
      D07920  Estriol succinate
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D07920  Estriol succinate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D07920  Estriol succinate
BRITE hierarchy
Other DBs
CAS: 514-68-1
PubChem: 96024616
LigandBox: D07920
NIKKAJI: J152.182I
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1y C    24.6400  -23.3100
            2   C1y C    23.4500  -24.0100
            3   C1z C    24.6400  -21.9100
            4   C1x C    27.0200  -23.3100
            5   C1y C    22.2600  -23.3100
            6   C1x C    23.4500  -25.3400
            7   C1y C    25.8300  -21.1400
            8   C1x C    23.4500  -21.2800
            9   C1a C    24.6400  -20.4400
            10  C1y C    27.0200  -21.9100
            11  C8y C    21.0000  -24.0100
            12  C1x C    22.2600  -21.9100
            13  C1x C    22.2600  -26.0400
            14  O7a O    25.8300  -19.4600
            15  C8y C    21.0000  -25.3400
            16  C8x C    19.8800  -23.3100
            17  C8x C    19.8800  -26.0400
            18  C8x C    18.6900  -24.0100
            19  C8y C    18.6900  -25.3400
            20  O1a O    17.5000  -26.0400
            21  O7a O    28.2498  -21.2410
            22  C7a C    29.4516  -21.9764
            23  C1b C    30.6941  -21.3006
            24  C1b C    31.8543  -22.0105
            25  C6a C    33.0935  -21.3368
            26  O6a O    34.3055  -22.0785
            27  O6a O    33.1291  -19.9501
            28  O6a O    29.4858  -23.3789
            29  C7a C    27.0424  -18.7600
            30  C1b C    28.2379  -19.4504
            31  O6a O    27.0425  -17.3602
            32  C1b C    29.4253  -18.7649
            33  C6a C    30.6165  -19.4529
            34  O6a O    31.8060  -18.7662
            35  O6a O    30.6165  -20.8597
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  10 1
            21    8  12 1
            22   13  15 1
            23   18  19 1
            24   10  21 1 #Down
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   22  28 2
            32   14  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2

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