PUBCHEM ID | 11976203 |
Molecular Weight (mg/mol) | 222.373 |
Molecular Formula | C15H26O |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
IUPAC Name | |
Canonical SMILES | CC(C)C2CCC(C)C13CCC(C)(O)C1C23 |
PUBCHEM IUPAC INCHIKEY | KONGRWVLXLWGDV-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure |
XLOGP3 AA | |
CACTVS TPSA | 20.23 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 3.202 |
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 | 1.77014 |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | NA |
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 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | Cubebol |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Yellow bugle | Ajuga chamaepitys essential oil | ||
2 | Lemon verbena | Aloysia citrodora essential oil | ||
3 | Amyris elimifera | Amyris elimifera essential oil | ||
4 | Anaphalis contorta | Anaphalis contorta essential oil | ||
5 | Sitafal | Annona cherimola essential oil | ||
6 | Sitafal | Annona cherimola essential oil | ||
7 | Sitafal | Annona cherimola essential oil |