AromaDb: A Database of Plant's Aroma Molecules

Sclareolide Details

: IUPAC Name
Sclareolide
:Chemical Class
:CAS Registry Number
564-20-5
:Description

:Fragrance Type
Woody aroma??

Physical and Chemical properties

PUBCHEM ID929262
Molecular Weight (mg/mol)250.384
Molecular FormulaC16H26O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
IUPAC NameSclareolide
Canonical SMILESCC1(C)CCC[C@@]3(C)[C@H]1CC[C@@]2(C)OC(=O)C[C@@H]23
PUBCHEM IUPAC INCHIKEYIMKJGXCIJJXALX-SHUKQUCYSA-N
Solubility Level2
Vapour Pressure-2.968

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.495
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 LD505.13091
Ocular IrritancyModerate
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
1 564-20-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 564-20-5 Sclareolide

Compound Image


2D Structure

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