Z-Linalool Oxide Details
:
IUPAC Name
2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
:Chemical Class
Monoterpene
:CAS Registry Number
34995-77-2
:Description
:Fragrance Type
flower
Physical and Chemical properties
| PUBCHEM ID | 6432254 |
| Molecular Weight (g/mol) | 170.249 |
| Molecular Formula | C10H18O2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| IUPAC Name | 2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol |
| Canonical SMILES | C=CC1(C)CCC(C(C)(C)O)O1 |
| PUBCHEM IUPAC INCHIKEY | BRHDDEIRQPDPMG-WCBMZHEXSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -1.667 |
Absorption and Metabolism information
| XLOGP3 AA | 1.4 |
| CACTVS TPSA | 29.5 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.433 |
| 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 | 2.8251 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | HMGCR,TP53,SREBF2,DRD1,DRD2 |
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 | 34995-77-2 | MAOB | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth measured after 5 days of cultivation | 16719518 | ||
| 2 | 34995-77-2 | MAP2K1, MAPK1 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 2000 ug/mL measured after 5 days of cultivation | 16719518 | ||
| 3 | 34995-77-2 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1500 ug/mL measured after 5 days of cultivation | 16719518 | |||
| 4 | 34995-77-2 | PCYT1A | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1000 ug/mL measured after 5 days of cultivation | 16719518 | ||
| 5 | 34995-77-2 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 500 ug/mL measured after 5 days of cultivation | 16719518 | |||
| 6 | 34995-77-2 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 100 ug/mL measured after 5 days of cultivation | 16719518 | |||
| 7 | 34995-77-2 | NR1H4, RDH16, ISYN | Insecticidal activity against acaricide-susceptible female Tetranychus urticae KST (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay | 21674753 | ||
| 8 | 34995-77-2 | MAOB | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth measured after 5 days of cultivation | 16719518 | ||
| 9 | 34995-77-2 | MAP2K1, MAPK1 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 2000 ug/mL measured after 5 days of cultivation | 16719518 | ||
| 10 | 34995-77-2 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1500 ug/mL measured after 5 days of cultivation | 16719518 | |||
| 11 | 34995-77-2 | PCYT1A | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1000 ug/mL measured after 5 days of cultivation | 16719518 | ||
| 12 | 34995-77-2 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 500 ug/mL measured after 5 days of cultivation | 16719518 | |||
| 13 | 34995-77-2 | Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 100 ug/mL measured after 5 days of cultivation | 16719518 | |||
| 14 | 34995-77-2 | NR1H4, RDH16, ISYN | Insecticidal activity against acaricide-susceptible female Tetranychus urticae KST (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay | 21674753 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 34995-77-2 | Z-Linalool Oxide |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Menthol mint, Corn mint, Japanese mint | Gomti | Mentha arvensis Gomti essential oil |
Compound Image
2D Structure
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