AromaDb: A Database of Plant's Aroma Molecules

1-Octen-3-Ol Details

: IUPAC Name
oct-1-en-3-ol
:Chemical Class
Alcohol
:CAS Registry Number
3391-86-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID18827
Molecular Weight (mg/mol)128.212
Molecular FormulaC8H16O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
IUPAC Nameoct-1-en-3-ol
Canonical SMILESC=CC(O)CCCCC
PUBCHEM IUPAC INCHIKEYVSMOENVRRABVKN-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.648

Absorption and Metabolism information

XLOGP3 AA2.6
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.528
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.37649 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 3391-86-4 GABRA1 Bos taurus 1-octen-3-ol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB1 protein]] affects^binding|increases^activity|increases^reaction 14664509
2 3391-86-4 GABRA1 Bos taurus 1-octen-3-ol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB1 protein]] affects^binding|increases^activity|increases^reaction 14664509
3 3391-86-4 GABRA1 Bos taurus 1-octen-3-ol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein co-treated with GABRB1 protein]] affects^cotreatment|increases^activity|increases^reaction 16569037
4 3391-86-4 GABRA1 Bos taurus 1-octen-3-ol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein co-treated with GABRB1 protein]] affects^cotreatment|increases^activity|increases^reaction 16569037
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 3391-86-4 1-Octen-3-Ol

Compound Image


2D Structure

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