PUBCHEM ID | 15000206 |
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 | (4E,8E)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one |
Canonical SMILES | C/C1=C/CC(C)(C)/C=CCC(C)C(=O)CC1 |
PUBCHEM IUPAC INCHIKEY | XWFINABYEHNSEP-VKLURXMVSA-N |
Solubility Level | 2 |
Vapour Pressure | -2.489 |
XLOGP3 AA | 3.8 |
CACTVS TPSA | 17.1 |
BBB Level | 0 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 4.073 |
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 | Non-Toxic |
Rat Oral LD50 | 0.734596 g/kg_body_weight |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 0 |
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 |
---|---|---|---|---|---|---|
1 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | Humuladienone |