PUBCHEM ID | 929262 |
Molecular Weight (mg/mol) | 250.384 |
Molecular Formula | C16H26O2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 6 |
IUPAC Name | Sclareolide |
Canonical SMILES | CC1(C)CCC[C@@]3(C)[C@H]1CC[C@@]2(C)OC(=O)C[C@@H]23 |
PUBCHEM IUPAC INCHIKEY | IMKJGXCIJJXALX-SHUKQUCYSA-N |
Solubility Level | 2 |
Vapour Pressure | -2.968 |
XLOGP3 AA | NA |
CACTVS TPSA | 17.07 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 3.495 |
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 | 5.13091 |
Ocular Irritancy | Moderate |
Hepatotoxic#Prediction | 0 |
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 | 564-20-5 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 564-20-5 | Sclareolide |