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CHEBI:63560 - tixocortol

ChEBI IDCHEBI:63560
ChEBI Nametixocortol
Stars
DefinitionA steroid sulfide in which the sulfanyl group is at C-21 of a polyoxygenated derivative of pregn-4-ene.
Last Modified7 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H30O4S
Net Charge0
Average Mass378.534
Monoisotopic Mass378.18648
SMILES[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKeyYWDBSCORAARPPF-VWUMJDOOSA-N
Wikipedia
Roles Classification
Biological Role:
glucocorticoid receptor agonist  An agonist that selectively binds to and activates a glucocorticoid receptor.
ChEBI Ontology
Outgoing Relation(s)
tixocortol (CHEBI:63560) has parent hydride pregnane (CHEBI:8386)
tixocortol (CHEBI:63560) has role glucocorticoid receptor agonist (CHEBI:63562)
tixocortol (CHEBI:63560) is a 11β-hydroxy steroid (CHEBI:35346)
tixocortol (CHEBI:63560) is a 17α-hydroxy steroid (CHEBI:35342)
tixocortol (CHEBI:63560) is a 20-oxo steroid (CHEBI:36885)
tixocortol (CHEBI:63560) is a 3-oxo-Δ4 steroid (CHEBI:47909)
tixocortol (CHEBI:63560) is a steroid sulfide (CHEBI:62027)
tixocortol (CHEBI:63560) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
tixocortol pivalate (CHEBI:63564) has functional parent tixocortol (CHEBI:63560)
IUPAC Name 
11β,17-dihydroxy-21-sulfanylpregn-4-ene-3,20-dione
INNs  Source
tixocortolumChemIDplus
tixocortolChemIDplus
Synonym  Source
(11β)-11,17-dihydroxy-21-mercaptopregn-4-ene-3,20-dioneChemIDplus
Manual XrefsDatabases
TixocortolWikipedia
D08610KEGG DRUG
Registry NumbersSources
Reaxys:5356025Reaxys
CAS:61951-99-3ChemIDplus
Citations