CHEBI:63560 - tixocortol

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ChEBI Name tixocortol ChEBI ID CHEBI:63560 Definition A steroid sulfide in which the sulfanyl group is at C-21 of a polyoxygenated derivative of pregn-4-ene. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C21H30O4S Net Charge 0 Average Mass 378.52500 Monoisotopic Mass 378.18648 InChI InChI=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 InChIKey YWDBSCORAARPPF-VWUMJDOOSA-N SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CS Roles Classification Biological Role(s): glucocorticoid receptor agonist An agonist that selectively binds to and activates a glucocorticoid receptor. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 tixocortol pivalate (CHEBI:63564) has functional parent tixocortol (CHEBI:63560) IUPAC Name 11β,17-dihydroxy-21-sulfanylpregn-4-ene-3,20-dione INNs Sources tixocortol ChemIDplus tixocortolum ChemIDplus Synonym Source (11β)-11,17-dihydroxy-21-mercaptopregn-4-ene-3,20-dione ChemIDplus Manual Xrefs Databases D08610 KEGG DRUG Tixocortol Wikipedia View more database links Registry Numbers Types Sources 5356025 Reaxys Registry Number Reaxys 61951-99-3 CAS Registry Number ChemIDplus Citations Types Sources 19463232 PubMed citation Europe PMC 508723 PubMed citation Europe PMC 6584691 PubMed citation Europe PMC 7392608 PubMed citation Europe PMC Last Modified 07 February 2018