AromaDb: A Database of Plant's Aroma Molecules

Dehydrocostus lactone Details

: IUPAC Name
(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
:Chemical Class
Alcohol
:CAS Registry Number
477-43-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID73174
Molecular Weight (mg/mol)230.30222
Molecular FormulaC15H18O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Canonical SMILESC=C2CCC1C(=C)C(=O)OC1C3C(=C)CCC23
PUBCHEM IUPAC INCHIKEYNETSQGRTUNRXEO-XUXIUFHCSA-N
Solubility Level
Vapour Pressure-3.595

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA26.3 A^2
BBB Level
Absorption Level
EXT PPB#Prediction
AlogP98
EXT CYP2D6#Prediction

Toxicological Information

Mouse Female FDA
Mouse Male FDA
Rat Female FDA
Rat Male FDA
Ames Prediction
Developmental / Reproductive Toxicity
Rat Oral LD50
Ocular Irritancy
Hepatotoxic#Prediction
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Hazard(s) Identification

Physical hazardsnot classified
Health hazards
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 477-43-0 HMOX1 Mus musculus dehydrocostus lactone results in increased expression of HMOX1 protein increases^expression 23942037
2 477-43-0 HMOX1 Mus musculus dehydrocostus lactone results in increased expression of HMOX1 protein increases^expression 23942037
3 477-43-0 NOS2 Mus musculus dehydrocostus lactone inhibits the reaction [Ethanol results in increased expression of NOS2 protein] decreases^reaction|increases^expression 26970604
4 477-43-0 NOS2 Mus musculus dehydrocostus lactone inhibits the reaction [Ethanol results in increased expression of NOS2 protein] decreases^reaction|increases^expression 26970604
5 477-43-0 PTGS2 Mus musculus dehydrocostus lactone inhibits the reaction [Ethanol results in increased expression of PTGS2 protein] decreases^reaction|increases^expression 26970604
6 477-43-0 PTGS2 Mus musculus dehydrocostus lactone inhibits the reaction [Ethanol results in increased expression of PTGS2 protein] decreases^reaction|increases^expression 26970604
7 477-43-0 TNF Mus musculus dehydrocostus lactone inhibits the reaction [Ethanol results in increased expression of TNF protein] decreases^reaction|increases^expression 26970604
8 477-43-0 TNF Mus musculus dehydrocostus lactone inhibits the reaction [Ethanol results in increased expression of TNF protein] decreases^reaction|increases^expression 26970604
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Kuth Saussurea lappa essential oil

Compound Image


2D Structure

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(External database - ChemAxon)