Tixocortol (CED0015633)

Record Information
Version1.0
Creation Date2026-04-05 12:01:19 UTC
Update Date2026-08-21 19:57:39 UTC
Accession NumberCHEM100911
Identification
Common NameTixocortol
ClassSmall Molecule
Description
Tixocortol is an organic compound with the formula C21H30O4S and an average molecular weight of 378.53 g/mol. Tixocortol belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound is found in or released from two recorded sources: healthcare, pharmaceuticals, and veterinary products, specifically as nasal preparations and intestinal antiinflammatory agents. Recorded exposure routes for the substance include rectal and cutaneous administration. Tixocortol acts on two recorded protein targets, serving as a binder/stimulator of the glucocorticoid receptor (NR3C1) and targeting histone deacetylase 2 (HDAC2).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H30O4S
Average Molecular Mass378.530 g/mol
Monoisotopic Mass378.186 g/mol
CAS Registry Number61951-99-3
IUPAC NameNot Available
Traditional NameNot Available
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@]12C
InChI IdentifierInChI=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
InChI KeyYWDBSCORAARPPF-VWUMJDOOSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fr-0009000000-5cf3f70b256be2f964cfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01t9-0249000000-26b3d3ad1c1bd46cfd23Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-3591000000-6e0e9edfc7f74a6b28f7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-1009000000-eb6aea2f6090ee7d46feNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-2019000000-98059e1f31c6532a63a0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fki-4095000000-0cdc37e8b75b95e53cbfNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3885.0Log mg/kg[2200:6900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
258Intestinal antiinflammatory agentsHealthcare, pharmaceuticals & veterinary productsNot Available
389Nasal preparationsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
2 pathways
Tixocortol Drug Metabolism
Tixocortol Drug Metabolism
Tixocortol Drug Metabolism Action Pathway
Tixocortol Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)0.389246
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)0.389246
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)0.311397
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)1.79053
Click to view 3D structureGlucocorticoid receptorP06537Mus musculusPredicted (SEA)0.311397
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)3.65891
Click to view 3D structureGlucocorticoid receptorP06536Rattus norvegicusPredicted (SEA)0.778492
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)1.63483
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)9.26406
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)8.17417
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)15.0249
Click to view 3D structureSolute carrier family 22 member 3O88446Rattus norvegicusPredicted (SEA)0.544945
Click to view 3D structure11-beta-hydroxysteroid dehydrogenase type 2P80365HumansPredicted (SEA)2.80257
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)16.2705
Click to view 3D structureAndrogen receptorP19091Mus musculusPredicted (SEA)3.34752
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)8.87481
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)2.25763
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)28.2593
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)12.3002
Click to view 3D structure3-oxo-5-alpha-steroid 4-dehydrogenase 1P18405HumansPredicted (SEA)4.04816
3-oxo-5-alpha-steroid 4-dehydrogenase 2 structureClick to view 3D structure3-oxo-5-alpha-steroid 4-dehydrogenase 2P31213HumansPredicted (SEA)5.29375
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)634.938
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)40.248
Click to view 3D structureSolute carrier family 22 member 2Q9R0W2Rattus norvegicusPredicted (SEA)0.778492
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)17.2825
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available