Cortisone
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Identity
Cortisone
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
PubChem CID: 222786
Cortisone is a C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20. It has a role as a mouse metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, an 11-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid. It derives from a hydride of a pregnane.
2D Structure
Properties
C21H28O5
Molecular Formula
360.40
Molecular Weight
g/mol
360.1937
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
91.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)CIsomeric SMILES
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)CSynonyms(20)
cortisone53-06-5Kendall's compound EReichstein's substance FAWintersteiner's compound F17-Hydroxy-11-dehydrocorticosterone11-Dehydro-17-hydroxycorticosteronePregn-4-ene-3,11,20-trione, 17,21-dihydroxy-Cortisona17,21-Dihydroxypregn-4-ene-3,11,20-trioneCortisonumKortison4-Pregnene-17alpha,21-diol-3,11,20-trione17alpha,21-Dihydroxypregn-4-ene-3,11,20-trioneDTXSID5022857
Data from PubChem (NCBI)
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