11-A,17-a,21-trihydroxypregn-4-ene-3,20-dione (CED0181870)

Record Information

Version

1.0

Creation Date

2026-04-05 22:08:27 UTC

Update Date

2026-04-05 22:08:27 UTC

Accession Number

CHEM110558

Identification

Common Name

11-A,17-a,21-trihydroxypregn-4-ene-3,20-dione

Class

Small Molecule

Description

11-A,17-a,21-trihydroxypregn-4-ene-3,20-dione belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C21H30O5 and is categorized under the superclass of lipids and lipid-like molecules. It has been found in or released from one recorded source: Building & Construction (Tents Or Canopies).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₃₀O₅

Average Molecular Mass

Not Available

Monoisotopic Mass

362.209 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3

InChI Key

JYGXADMDTFJGBT-MKIDGPAKSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2105.0	Log mg/kg	[1200:3700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available
685	Ceramics	Building & Construction	Not Available
688	Glass Coatings	Building & Construction	Not Available
692	Silica Free Oxide Glass	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
727	Printing Machines Or Presses	Paper, pulp & fiber products	Not Available
733	Walking Sticks	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Glucocorticoid receptor	P06537	Mus musculus	Predicted (SEA)	0.233548
Click to view 3D structure	Glucocorticoid receptor	P06536	Rattus norvegicus	Predicted (SEA)	0.622794
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	2.95827
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	6.85073
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	1.47914
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	5.2159
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	8.95266
Click to view 3D structure	Solute carrier family 22 member 3	O88446	Rattus norvegicus	Predicted (SEA)	0.389246
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	9.34191
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase type 2	P80365	Humans	Predicted (SEA)	2.72472
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	20.9414
Click to view 3D structure	Solute carrier organic anion transporter family member 1A1	P46720	Rattus norvegicus	Predicted (SEA)	1.63483
Click to view 3D structure	Androgen receptor	P19091	Mus musculus	Predicted (SEA)	2.80257
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P05093	Humans	Predicted (SEA)	8.56341
Click to view 3D structure	Solute carrier family 22 member 2	Q9R0W2	Rattus norvegicus	Predicted (SEA)	0.311397
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 1	P18405	Humans	Predicted (SEA)	3.73676
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase 1	P28845	Humans	Predicted (SEA)	12.378
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 2	P31213	Humans	Predicted (SEA)	5.0602
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	544.477
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	37.3676
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	15.1806