AromaDb: A Database of Plant's Aroma Molecules

Furyl Propyl Ketone Details

: IUPAC Name
1,7-bis(furan-2-yl)heptan-4-one
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID25021690
Molecular Weight (mg/mol)246.302
Molecular FormulaC15H18O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
IUPAC Name1,7-bis(furan-2-yl)heptan-4-one
Canonical SMILESO=C(CCCc1ccco1)CCCc2ccco2
PUBCHEM IUPAC INCHIKEYZBGMIPWQNKUQOU-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-5.572

Absorption and Metabolism information

XLOGP3 AA2.6
CACTVS TPSA43.4
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.066
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.83994 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Furyl Propyl Ketone

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Spearmint Neerkalka Mentha spicata Neerkalka essential oil

Compound Image


2D Structure

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(External database - ChemAxon)