Epicedrol Details
:
IUPAC Name
2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
:Chemical Class
Sesquiterpene
:CAS Registry Number
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 522667 |
| Molecular Weight (g/mol) | 222.37 |
| Molecular Formula | C15H26O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol |
| Canonical SMILES | CC1CCC2C13CCC(C(C3)C2(C)C)(C)O |
| PUBCHEM IUPAC INCHIKEY | |
| Solubility Level | 0 |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | 3.9 |
| CACTVS TPSA | 20.2 Ų |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | TRUE |
| AlogP98 | 3.157 |
| EXT CYP2D6#Prediction | FALSE |
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 | Toxic |
| Rat Oral LD50 | 2.04719 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | TRUE |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | ||||||
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| 11 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | Anti-inflammatory | 15 | https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/elsc.201900103 | Epicedrol | |
| 2 | Cytotoxic | https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/elsc.201900103 | Epicedrol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | katafa or katrafay | Cedrelopsis grevei essential oil |
Compound Image
2D Structure
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