(20S)-20-hydroxypregn-4-en-3-one (CED0047628)

Record Information

Version

1.0

Creation Date

2026-04-05 17:37:23 UTC

Update Date

2026-04-05 17:37:23 UTC

Accession Number

CHEM105049

Identification

Common Name

(20S)-20-hydroxypregn-4-en-3-one

Class

Small Molecule

Description

(20S)-20-hydroxypregn-4-en-3-one belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules. The compound has the chemical formula C21H32O2.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₃₂O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

316.240 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3

InChI Key

RWBRUCCWZPSBFC-RXRZZTMXSA-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

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-014i-2900000000-ae18472ab2a463c4119b	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-014i-2900000000-b2664861b879ecb9d0e7	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-be6e06313d0abca8e664	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0069000000-737690db427e28fac080	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0039000000-93ddfd7d092de4d1ee38	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kb-0096000000-0227d7c5a3786f9345e9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kb-0692000000-a3a76f499e60c3488846	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9810000000-4023a910f32e5c7d7941	Not Available	View Spectrum

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
2817.0	Log mg/kg	[1600:5000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
685	Ceramics	Building & Construction	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	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	0.544945
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	0.311397
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	1.63483
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	1.47914
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	0.233548
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	1.16774
Click to view 3D structure	Androgen receptor	P19091	Mus musculus	Predicted (SEA)	0.155698
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P05093	Humans	Predicted (SEA)	1.63483
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	4.5931
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 2	P31213	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase	P9WQP7	Mycobacterium tuberculosis	Predicted (SEA)	1.08989
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 1	P18405	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	7.23998
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	5.44945
Click to view 3D structure	Solute carrier family 22 member 3	O88446	Rattus norvegicus	Predicted (SEA)	0.311397
Click to view 3D structure	Solute carrier organic anion transporter family member 1A1	P46720	Rattus norvegicus	Predicted (SEA)	0.778492
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	15.2584
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	80.4182
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 3	O35627	Mus musculus	Predicted (SEA)	0.0778492
Click to view 3D structure	Oxysterol-binding protein 1	P22059	Humans	Predicted (SEA)	2.25763
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	14.3243
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	21.4085
Click to view 3D structure	C-8 sterol isomerase ERG2	P32352	Baker's yeast	Predicted (SEA)	0.467095
Click to view 3D structure	Solute carrier family 22 member 2	Q9R0W2	Rattus norvegicus	Predicted (SEA)	0.155698