AromaDb: A Database of Plant's Aroma Molecules

Falcarinol Details

: IUPAC Name
heptadeca-1,9-dien-4,6-diyn-3-ol
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID3322
Molecular Weight (mg/mol)244.379
Molecular FormulaC17H24O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Nameheptadeca-1,9-dien-4,6-diyn-3-ol
Canonical SMILESC=CC(O)C#CC#CC/C=C/CCCCCCC
PUBCHEM IUPAC INCHIKEYUGJAEDFOKNAMQD-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-4.502

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA26.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.68
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.47454
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Falcarinol

Compound Image


2D Structure

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