Unoprostone (CED0011571)

Record Information

Version

1.0

Creation Date

2026-04-05 12:19:19 UTC

Update Date

2026-05-14 18:26:27 UTC

Accession Number

CHEM101303

Identification

Common Name

Unoprostone

Class

Small Molecule

Description

Unoprostone is an organic compound with the formula C22H38O5 and an average molecular weight of 382.54 g/mol. Unoprostone belongs to the eicosanoids, a subclass of fatty acyls within the organic compounds. This substance is found in or released from three recorded sources: antennas within electrical and electronic equipment, other smoking requisites among household cleaning and consumer products, and antiglaucoma preparations and miotics within healthcare, pharmaceuticals, and veterinary products. The recorded exposure route for this compound is ophthalmic.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₃₈O₅

Average Molecular Mass

382.541 g/mol

Monoisotopic Mass

382.272 g/mol

CAS Registry Number

120373-36-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C/CCCC(O)=O

InChI Identifier

InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1

InChI Key

TVHAZVBUYQMHBC-SNHXEXRGSA-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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014j-0009000000-1ce4e8be265e853a9f4e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014j-3239000000-bfe0b4bfd9ed83ff65f7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-9244000000-4d6c8ef65c85809751ff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0009000000-8b6031f8adc42fb9117d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02al-1229000000-9bd8a4b2c17b2e7feaf3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9431000000-601d7e281a4793e65366	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
190.0	Log mg/kg	[100:340]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
398	Antiglaucoma preparations and miotics	Healthcare, pharmaceuticals & veterinary products	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available

Pathways

1 pathway

Unoprostone Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q9EPT5	Mus musculus	Predicted (SEA)	0.155698
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	7.39568
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	8.40772
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	6.61718
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q92959	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Solute carrier organic anion transporter family member 2B1	Q9JHI3	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	9.26406
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	4.04816
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P35408	Humans	Predicted (SEA)	3.65891
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	5.2159
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	2.41333
Click to view 3D structure	Prostaglandin F2-alpha receptor	P37289	Bos taurus	Predicted (SEA)	0.467095
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	6.15009
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	5.3716
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	5.76084
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43088	Humans	Predicted (SEA)	4.5931
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	5.91654
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	2.25763
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43117	Mus musculus	Predicted (SEA)	1.01204
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P35375	Mus musculus	Predicted (SEA)	4.82665
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	6.85073
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	5.13805
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62053	Mus musculus	Predicted (SEA)	4.9045
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	33.553
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	32.3853