Epicurzercenone Details
: IUPAC Name
(5R,6S)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one
:Chemical Class
:CAS Registry Number
:Description
:Fragrance Type
NA
Physical and Chemical properties
| PUBCHEM ID | 5317062 |
| Molecular Weight (mg/mol) | 230.309 |
| Molecular Formula | C15H18O2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| IUPAC Name | (5R,6S)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one |
| Canonical SMILES | C=C[C@]2(C)Cc1occ(C)c1C(=O)[C@@H]2C(=C)C |
| PUBCHEM IUPAC INCHIKEY | ZVMJXSJCBLRAPD-DZGCQCFKSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -3.829 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 0 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.309 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Single-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Single-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 0.223468 |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| 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 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | Epicurzercenone |
Compound Image
2D Structure
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