Marvin  04101310142D          

 29 32  0  0  1  0            999 V2000
   19.3080  -21.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8089  -22.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3080  -20.0608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8089  -19.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7929  -20.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3799  -21.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0944  -20.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0944  -22.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3799  -22.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6654  -21.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6654  -22.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9511  -21.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8089  -21.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8089  -20.7283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0944  -21.1408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0944  -21.9657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5233  -20.3158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.5233  -19.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5233  -21.1408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5233  -21.9657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2365  -22.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9511  -22.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3799  -20.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224  -19.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3080  -19.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3799  -19.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5935  -18.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224  -17.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 13  1  0  0  0  0
 19 17  1  0  0  0  0
 19  1  1  0  0  0  0
 13 15  1  0  0  0  0
 13  2  1  0  0  0  0
 17  3  1  0  0  0  0
 17  4  1  0  0  0  0
  5  1  1  0  0  0  0
 15  6  1  0  0  0  0
 15  7  1  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 22  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  1  0  0  0
 15 16  1  6  0  0  0
 17 18  1  1  0  0  0
 19 20  1  6  0  0  0
 22 21  2  0  0  0  0
  6 23  1  1  0  0  0
  3 24  1  6  0  0  0
  3 25  1  0  0  0  0
  7 26  2  0  0  0  0
 27 25  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
> <ID>
CHEBI:8382

> <NAME>
prednisone

> <DEFINITION>
A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a β-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.

> <STAR>
3

> <SYNONYM>
prednison; Dehydrocortisone; 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione; 1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione; 1,2-Dehydrocortisone

> <IUPAC_NAME>
17,21-dihydroxypregna-1,4-diene-3,11,20-trione

> <INN>
prednisonum; prednisone; prednisone; prednisona

> <FORMULA>
C21H26O5

> <MASS>
358.42810

> <MONOISOTOPIC_MASS>
358.17802

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO

> <INCHI>
InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

> <INCHIKEY>
XOFYZVNMUHMLCC-ZPOLXVRWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2065301

> <CAS_REGISTRY_NUMBER>
53-03-2

> <REAXYS_REGISTRY_NUMBER>
2065301

> <CHEMIDPLUS>
53-03-2

> <DRUGBANK_ACCESSION>
DB00635

> <KEGG_COMPOUND_ACCESSION>
C07370

> <WIKIPEDIA_ACCESSION>
Prednisone

> <PUBMED_CITATION>
10438974; 15859934; 18971570; 23093541; 23395281

$$$$