PUBCHEM ID | 11586487 |
Molecular Weight (g/mol) | 204.35 |
Molecular Formula | C15H24 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
IUPAC Name | (4aR)-3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene |
Canonical SMILES | CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
PUBCHEM IUPAC INCHIKEY | LCOSCMLXPAQCLQ-AWEZNQCLSA-N |
Solubility Level | |
Vapour Pressure |
XLOGP3 AA | 4 |
CACTVS TPSA | 0 |
BBB Level | 0 |
Absorption Level | 1 |
EXT PPB#Prediction | 1 |
AlogP98 | 4.893 |
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 | |
Rat Oral LD50 | 1.53105 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 | ||||||
2 | ||||||
3 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | Anti-bacterial | 33 | https://hal.science/hal-03241258 | beta-himachalene |