AromaDb: A Database of Plant's Aroma Molecules

Dihydroedulan Details

: IUPAC Name
(2S,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID6432687
Molecular Weight (mg/mol)194.313
Molecular FormulaC13H22O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name(2S,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene
Canonical SMILESCC2CCC1C(C)(C)C/C=CC1(C)O2
PUBCHEM IUPAC INCHIKEYIVTQSEFLDHBCDZ-CCQDYZPNSA-N
Solubility Level2
Vapour Pressure-1.427

Absorption and Metabolism information

XLOGP3 AA3.4
CACTVS TPSA9.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP983.003
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.37444 g/kg_body_weight
Ocular IrritancyMild
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Dihydroedulan

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil

Compound Image


2D Structure

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(External database - ChemAxon)