AromaDb: A Database of Plant's Aroma Molecules

Dehydrocostus lactone Details

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

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID73174
Molecular Weight (mg/mol)230.309
Molecular FormulaC15H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name(3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Canonical SMILESC=C2CC[C@H]1C(=C)C(=O)O[C@@H]1[C@H]3C(=C)CC[C@@H]23
PUBCHEM IUPAC INCHIKEYNETSQGRTUNRXEO-XUXIUFHCSA-N
Solubility Level2
Vapour Pressure-3.595

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.29
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.282
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.44627
Ocular IrritancyMild
Hepatotoxic#Prediction1
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
1 477-43-0 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)
1 477-43-0 Dehydrocostus lactone

Compound Image


2D Structure

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