(Z)-3-Hexenol Details
:
IUPAC Name
(Z)-hex-3-en-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
928-96-1
:Description
:Fragrance Type
grass
Physical and Chemical properties
| PUBCHEM ID | 5281167 |
| Molecular Weight (g/mol) | 100.159 |
| Molecular Formula | C6H12O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| IUPAC Name | (Z)-hex-3-en-1-ol |
| Canonical SMILES | CC/C=C/CCO |
| PUBCHEM IUPAC INCHIKEY | UFLHIIWVXFIJGU-ARJAWSKDSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -0.427 |
Absorption and Metabolism information
| XLOGP3 AA | 1.3 |
| CACTVS TPSA | 20.2 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.438 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 3.63231 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol binds to GOBP2 protein | affects^binding | 9219366 |
| 2 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] | affects^binding|decreases^reaction | 9219366 |
| 3 | 928-96-1 | POMC | Rattus norvegicus | [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein | affects^cotreatment|decreases^expression | 21515296 |
| 4 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] | affects^cotreatment|decreases^expression|decreases^reaction | 21515296 |
| 5 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC | affects^cotreatment|decreases^expression | 19103229 |
| 6 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol binds to GOBP2 protein | affects^binding | 9219366 |
| 7 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] | affects^binding|decreases^reaction | 9219366 |
| 8 | 928-96-1 | POMC | Rattus norvegicus | [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein | affects^cotreatment|decreases^expression | 21515296 |
| 9 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] | affects^cotreatment|decreases^expression|decreases^reaction | 21515296 |
| 10 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC | affects^cotreatment|decreases^expression | 19103229 |
| 11 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol binds to GOBP2 protein | affects^binding | 9219366 |
| 12 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] | affects^binding|decreases^reaction | 9219366 |
| 13 | 928-96-1 | POMC | Rattus norvegicus | [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein | affects^cotreatment|decreases^expression | 21515296 |
| 14 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] | affects^cotreatment|decreases^expression|decreases^reaction | 21515296 |
| 15 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC | affects^cotreatment|decreases^expression | 19103229 |
| 16 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol binds to GOBP2 protein | affects^binding | 9219366 |
| 17 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] | affects^binding|decreases^reaction | 9219366 |
| 18 | 928-96-1 | POMC | Rattus norvegicus | [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein | affects^cotreatment|decreases^expression | 21515296 |
| 19 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] | affects^cotreatment|decreases^expression|decreases^reaction | 21515296 |
| 20 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC | affects^cotreatment|decreases^expression | 19103229 |
| 21 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol binds to GOBP2 protein | affects^binding | 9219366 |
| 22 | 928-96-1 | GOBP2 | Manduca sexta | 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] | affects^binding|decreases^reaction | 9219366 |
| 23 | 928-96-1 | POMC | Rattus norvegicus | [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein | affects^cotreatment|decreases^expression | 21515296 |
| 24 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] | affects^cotreatment|decreases^expression|decreases^reaction | 21515296 |
| 25 | 928-96-1 | POMC | Rattus norvegicus | [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC | affects^cotreatment|decreases^expression | 19103229 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 928-96-1 | (Z)-3-Hexenol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Chamomile, German chamomile, Gule-babuna | CIM-Sammohak | Chamomila recutita essential oil | |
| 2 | Chamomile, German chamomile, Gule-babuna | CIM-Sammohak | Chamomila recutita essential oil | |
| 3 | Spearmint | Arka | Mentha spicata Arka essential oil | |
| 4 | Holy basil | Ocimum tenuiflorum essential oil | ||
| 5 | Starflower | Borago officinalis essential oil | ||
| 6 | Clove basil, African basil | Ocimum gratissimum essential oil |
Compound Image
-3-Hexenol.png)
2D Structure
Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)