Cyclopentanone Details
: IUPAC Name
:Chemical Class
:CAS Registry Number
120-92-3
:Description
:Fragrance Type
minty aroma??
Physical and Chemical properties
| PUBCHEM ID | 8452 |
| Molecular Weight (mg/mol) | 84.119 |
| Molecular Formula | C5H8O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | |
| Canonical SMILES | O=C1CCCC1 |
| PUBCHEM IUPAC INCHIKEY | BGTOWKSIORTVQH-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | 0.899 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 20.23 |
| BBB Level | 2 |
| Absorption Level | 1 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 0.858 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 1.27993 |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 120-92-3 | AKR1C2 | Homo sapiens | [AKR1C2 protein co-treated with NADP] results in increased reduction of cyclopentanone | affects^cotreatment|increases^reduction | 23261716 |
| 2 | 120-92-3 | AKR1C2 | Homo sapiens | Ursodeoxycholic Acid inhibits the reaction [[AKR1C2 protein co-treated with NADP] results in increased reduction of cyclopentanone] | affects^cotreatment|decreases^reaction|increases^reduction | 23261716 |
| 3 | 120-92-3 | AKR1C3 | Homo sapiens | [AKR1C3 protein co-treated with NADP] results in increased reduction of cyclopentanone | affects^cotreatment|increases^reduction | 23261716 |
| 4 | 120-92-3 | AKR1C3 | Homo sapiens | Medroxyprogesterone Acetate inhibits the reaction [[AKR1C3 protein co-treated with NADP] results in increased reduction of cyclopentanone] | affects^cotreatment|decreases^reaction|increases^reduction | 23261716 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 120-92-3 | Cyclopentanone |
Compound Image
2D Structure
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