AromaDb: A Database of Plant's Aroma Molecules

Iodoquinol Details

: IUPAC Name
5,7-diiodoquinolin-8-ol
:Chemical Class
Alcohol
:CAS Registry Number
83-73-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID3728
Molecular Weight (mg/mol)396.951
Molecular FormulaC9H5I2NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name5,7-diiodoquinolin-8-ol
Canonical SMILESOc1c(I)cc(I)c2cccnc12
PUBCHEM IUPAC INCHIKEYUXZFQZANDVDGMM-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-8.109

Absorption and Metabolism information

XLOGP3 AA3.1
CACTVS TPSA33.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.93
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.0738245 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 83-73-8 APP [Iodoquinol binds to Copper] which results in increased degradation of APP protein modified form affects^binding|increases^degradation 17680773
2 83-73-8 APP [Iodoquinol binds to Zinc] which results in increased degradation of APP protein modified form affects^binding|increases^degradation 17680773
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 83-73-8 Iodoquinol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Mulethi Mishri Glucyrrhiza glabra mulethi essential oil

Compound Image


2D Structure

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(External database - ChemAxon)