KEGG   COMPOUND: C14667
Entry
C14667                      Compound                               
Name
Testosterone phenylpropionate;
17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate
Formula
C28H36O3
Exact mass
420.2664
Mol weight
420.5836
Structure
Remark
Same as: D08574
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03B ANDROGENS
    G03BA 3-oxoandrosten (4) derivatives
     G03BA03 Testosterone
      D08574  Testosterone phenylpropionate
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG00460  Testosterone
    D08574  Testosterone phenylpropionate
  DG02006  Testosterone
   DG00460  Testosterone
    D08574  Testosterone phenylpropionate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08574  Testosterone phenylpropionate
Other DBs
CAS: 1255-49-8
PubChem: 17395666
ChEBI: 35002
NIKKAJI: J61.332K
LinkDB
KCF data

ATOM        31
            1   C1x C    21.0487  -21.3705
            2   C5x C    21.0487  -22.7321
            3   C2x C    22.2278  -23.4128
            4   C2y C    23.4068  -22.7321
            5   C1z C    23.4068  -21.3705
            6   C1x C    22.2278  -20.6898
            7   C1x C    24.5860  -23.4128
            8   C1x C    25.7650  -22.7321
            9   C1y C    25.7650  -21.3705
            10  C1y C    24.5860  -20.6898
            11  C1y C    26.9442  -20.6898
            12  C1z C    26.9442  -19.3284
            13  C1x C    25.7650  -18.6477
            14  C1x C    24.5860  -19.3284
            15  C1x C    29.3022  -20.6898
            16  C1x C    29.3022  -19.3284
            17  C1y C    28.1231  -18.6477
            18  C1a C    26.9712  -17.9670
            19  O7a O    28.1283  -17.2862
            20  C1a C    23.4038  -19.9699
            21  O5x O    19.8448  -23.4274
            22  C7a C    29.3505  -16.5867
            23  C1b C    30.5463  -17.2833
            24  O6a O    29.3558  -15.1902
            25  C1b C    31.7387  -16.6009
            26  C8y C    32.9222  -17.2904
            27  C8x C    32.9168  -18.6899
            28  C8x C    34.1265  -19.3946
            29  C8x C    35.3417  -18.6993
            30  C8x C    35.3471  -17.2998
            31  C8x C    34.1374  -16.5951
BOND        35
            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    5  20 1 #Up
            24    2  21 2
            25   19  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 1
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   26  31 1

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