AromaDb: A Database of Plant's Aroma Molecules

Dihydroactinidiolide Details

: IUPAC Name
+/--2,6,6,-Trimethyl-2-hydroxycyclohexylideneaceticacidgamma-lactone
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
coumarin-like aroma??

Physical and Chemical properties

PUBCHEM ID27209
Molecular Weight (mg/mol)180.249
Molecular FormulaC11H16O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name+/--2,6,6,-Trimethyl-2-hydroxycyclohexylideneaceticacidgamma-lactone
Canonical SMILESCC1(C)CCC[C@]2(C)OC(=O)/C=C12
PUBCHEM IUPAC INCHIKEYIMKHDCBNRDRUEB-NSHDSACASA-N
Solubility Level3
Vapour Pressure-1.282

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.483
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 ToxicityToxic
Rat Oral LD501.97664
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Dihydroactinidiolide

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Fireweed Crinum latifolium essential oil

Compound Image


2D Structure

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(External database - ChemAxon)