AromaDb: A Database of Plant's Aroma Molecules

Coriandrol Details

: IUPAC Name
Linalool
:Chemical Class
:CAS Registry Number
126-90-9
:Description

:Fragrance Type
floral

Physical and Chemical properties

PUBCHEM ID67179
Molecular Weight (mg/mol)154.254
Molecular FormulaC10H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC NameLinalool
Canonical SMILESC=C[C@@](C)(O)CC/C=C(C)/C
PUBCHEM IUPAC INCHIKEYCDOSHBSSFJOMGT-SNVBAGLBSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.735
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.37687
Ocular IrritancySevere
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
1 126-90-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 126-90-9 Coriandrol

Compound Image


2D Structure

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