10-Epi-Gamma-Eudesmol Details
:
IUPAC Name
2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
:Chemical Class
Alcohol
:CAS Registry Number
:Description
:Fragrance Type
sweet
Physical and Chemical properties
| PUBCHEM ID | 6430754 |
| Molecular Weight (g/mol) | 222.366 |
| Molecular Formula | C15H26O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| Canonical SMILES | C/C2=C/1CC(C(C)(C)O)CCC1(C)CCC2 |
| PUBCHEM IUPAC INCHIKEY | WMOPMQRJLLIEJV-DOMZBBRYSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -2.999 |
Absorption and Metabolism information
| XLOGP3 AA | 3.4 |
| CACTVS TPSA | 20.2 |
| BBB Level | 0 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.86 |
| 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 | Toxic |
| Rat Oral LD50 | 2.27106 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes | FGF2, CREB1, VEGFA |
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 | ||||||
| 2 | ||||||
| 3 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 10-Epi-Gamma-Eudesmol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Geranium | Pelargonium roseum essential oil | ||
| 2 | Geranium, Rose Scented Geranium | CIM-Pawan | Pelargonium graveolens CIM-Pawan essential oil | |
| 3 | Geranium, Rose Scented Geranium | Kelkar | Pelargonium graveolens Kelkar essential oil | |
| 4 | Amyris elimifera | Amyris elimifera essential oil | ||
| 5 | Bluebeard | Caryopteris odorata essential oil |
Compound Image
2D Structure
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