PUBCHEM ID | 3033866 |
Molecular Weight (g/mol) | 204.35 |
Molecular Formula | C15H24 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 3 |
IUPAC Name | (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene |
Canonical SMILES | CC1=CC/C(=C(/C)CCC=C(C)C)/CC1 |
PUBCHEM IUPAC INCHIKEY | XBGUIVFBMBVUEG-CCEZHUSRSA-N |
Solubility Level | 2 |
Vapour Pressure |
XLOGP3 AA | 4.7 |
CACTVS TPSA | 0 |
BBB Level | 0 |
Absorption Level | 1 |
EXT PPB#Prediction | TRUE |
AlogP98 | 5.469 |
EXT CYP2D6#Prediction | TRUE |
Mouse Female FDA | Single-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 3.58814 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | FALSE |
Effected Human Genes |
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 |
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11 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | Anti-bacterial | 33 | https://www.mdpi.com/2311-5637/9/9/779 | Gamma Bisabolene | |
2 | Anti-inflammatory | 15 | https://www.mdpi.com/2311-5637/9/9/779 | Gamma Bisabolene | |
3 | Anti-Cancer | 2 | https://www.mdpi.com/2311-5637/9/9/779 | Gamma Bisabolene |