PUBCHEM ID | 14350 |
Molecular Weight (mg/mol) | 220.35 |
Molecular Formula | C15H24O |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
IUPAC Name | |
Canonical SMILES | C=C2CCC1OC1(C)CCC3C2CC3(C)C |
PUBCHEM IUPAC INCHIKEY | NVEQFIOZRFFVFW-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure |
XLOGP3 AA | 3.6 |
CACTVS TPSA | 12.5 |
BBB Level | 0 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 3.519 |
EXT CYP2D6#Prediction | 0 |
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 | 1.13262 g/kg_body_weight |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | MAPK14, TNF |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Moderate |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 | 17627-43-9 | |||||
2 | 17627-43-9 | |||||
3 | 17627-43-9 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 17627-43-9 | Caryophyllene-Oxide |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Clarysage | CIM-Chandni | Salvia sclarea CIM-Chandni essential oil | |
2 | Sweet wormwood, Quinghao | CIM-Arogya | Artemisia annua CIM-Arogya essential oil |