Zingiberene Details
: IUPAC Name
(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
:Chemical Class
Alkene
:CAS Registry Number
495-60-3
:Description
:Fragrance Type
Fruit, spice
Physical and Chemical properties
| PUBCHEM ID | 92776 |
| Molecular Weight (mg/mol) | 204.35106 |
| Molecular Formula | C15H24 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| IUPAC Name | (5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene |
| Canonical SMILES | C/C(C)=C/CCC(C)C1/C=CC(C)=C/C1 |
| PUBCHEM IUPAC INCHIKEY | KKOXKGNSUHTUBV-LSDHHAIUSA-N |
| Solubility Level | |
| Vapour Pressure | -1.977 |
Absorption and Metabolism information
| XLOGP3 AA | 5.2 |
| CACTVS TPSA | 0 A^2 |
| BBB Level | |
| Absorption Level | |
| EXT PPB#Prediction | |
| AlogP98 | |
| EXT CYP2D6#Prediction |
Toxicological Information
| Mouse Female FDA | |
| Mouse Male FDA | |
| Rat Female FDA | |
| Rat Male FDA | |
| Ames Prediction | |
| Developmental / Reproductive Toxicity | |
| Rat Oral LD50 | |
| Ocular Irritancy | |
| Hepatotoxic#Prediction | |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | |
| 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) |
|---|
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | White turmeric | Curcuma zedoaria essential oil | ||
| 2 | Common yarrow | Achillea millefolium essential oil | ||
| 3 | Shampoo ginger. Bitter ginger | Zingiber zerumbet essential oil | ||
| 4 | Ginger | Zingiber officinale essential oil |
Compound Image
2D Structure
Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)