AromaDb: A Database of Plant's Aroma Molecules

Curzerene Details

: IUPAC Name
(6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran
:Chemical Class
Sesquiterpene
:CAS Registry Number
:Description

:Fragrance Type
Fruit, spice

Physical and Chemical properties

PUBCHEM ID5316217
Molecular Weight (mg/mol)216.3187
Molecular FormulaC15H20O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name(6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran
Canonical SMILESC=CC2(C)Cc1occ(C)c1CC2C(=C)C
PUBCHEM IUPAC INCHIKEYHICAMHOOTMOHPA-AWKYBWMHSA-N
Solubility Level
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA4.6
CACTVS TPSA13.1 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
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 White turmeric Curcuma zedoaria essential oil
2 Pitanga Eugenia uniflora essential oil

Compound Image


2D Structure

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(External database - ChemAxon)