KEGG   COMPOUND: C07629
Entry
C07629                      Compound                               
Name
Desogestrel
Formula
C22H30O
Exact mass
310.2297
Mol weight
310.47
Structure
Remark
Same as: D02367
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C07629  Desogestrel
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03A HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
    G03AC Progestogens
     G03AC09 Desogestrel
      D02367  Desogestrel (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   D02367  Desogestrel
  DG01666  Progesterone receptor agonist
   D02367  Desogestrel
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D02367  Desogestrel (USAN/INN)
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D02367  Desogestrel (USAN/INN)
Other DBs
CAS: 54024-22-5
PubChem: 9831
ChEBI: 4453
LIPIDMAPS: LMST02030104
NIKKAJI: J12.635G
LinkDB
KCF data

ATOM        23
            1   C1x C    19.0400  -28.7000
            2   C1x C    19.0400  -30.1000
            3   C2x C    20.2300  -30.8000
            4   C2y C    21.4200  -30.1000
            5   C1y C    21.4200  -28.7000
            6   C1x C    20.2300  -28.0000
            7   C1x C    22.6100  -30.8000
            8   C1x C    23.8000  -30.1000
            9   C1y C    23.8000  -28.7000
            10  C1y C    22.6100  -28.0000
            11  C1y C    24.9200  -28.0000
            12  C1z C    24.9200  -26.6700
            13  C1x C    23.8000  -25.9700
            14  C2y C    22.6100  -26.6700
            15  C1x C    27.3000  -28.0000
            16  C1x C    27.3000  -26.6700
            17  C1z C    26.1100  -25.9700
            18  C1b C    24.9200  -25.2700
            19  O1a O    26.1100  -24.6400
            20  C3b C    27.3000  -25.2700
            21  C3a C    28.4900  -24.6400
            22  C1a C    23.8000  -24.6400
            23  C2a C    21.3500  -25.9700
BOND        26
            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   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23   17  20 1 #Down
            24   20  21 3
            25   18  22 1
            26   14  23 2

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