Zingiberene Details
: IUPAC Name
(5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methyl-cyclohexa-1,3-diene
:Chemical Class
:CAS Registry Number
495-60-3
:Description
:Fragrance Type
NA
Physical and Chemical properties
| PUBCHEM ID | 92776 |
| Molecular Weight (mg/mol) | 204.357 |
| Molecular Formula | C15H24 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| IUPAC Name | (5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methyl-cyclohexa-1,3-diene |
| Canonical SMILES | C/C(C)=C/CC[C@H](C)[C@@H]1/C=CC(C)=C/C1 |
| PUBCHEM IUPAC INCHIKEY | KKOXKGNSUHTUBV-LSDHHAIUSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -1.977 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 13.14 |
| BBB Level | 0 |
| Absorption Level | 1 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 5.08 |
| 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 | Toxic |
| Rat Oral LD50 | 3.24785 |
| Ocular Irritancy | None |
| 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 | 495-60-3 | |||||
| 2 | 495-60-3 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 495-60-3 | Zingiberene |
Compound Image
2D Structure
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