Aromadendrene oxide II Details
:
IUPAC Name
NA
:Chemical Class
Sesquiterpene
:CAS Registry Number
85710-39-0
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 16211192 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 220.35 |
| Molecular Formula | C15H24O |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | |
| Canonical SMILES | CC1CCC2C1C3C(C3(C)C)CCC24CO4 |
| PUBCHEM IUPAC INCHIKEY | XPGWKKLDFXNBPJ-QTPLKFIXSA-N |
| Solubility Level | 3.7 |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | 4.5 |
| CACTVS TPSA | 8.93 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.081 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| 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 | 1.14466 g/kg_body_weight |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | Anti-Cancer | 2 | 29407546 | Aromadendrene oxide II |
Compound Image
2D Structure
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