Accession Number: pdtdbl00124

Details of the Ligand

Ligand Name : alpha-Phellandrene
Systematic Names : alpha-Phellandrene; Menthadiene; P-Mentha-1,5-diene; Alpha-Fellandrene; Dihydro-p-cymene; .alpha.-Phellandrene
Molecular Formula : C10H16
Molecular Weight : g/mol
IUPAC Name : 2-methyl-5-propan-2-ylcyclohexa-1,3-diene
Canonical SMILES : CC1=CCC(C=C1)C(C)C
Ligand Description :

Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. α-Phellandrene and β-phellandrene are cyclic monoterpenes and are double-bond isomers. In α-phellandrene, both double bonds are endocyclic and in β-phellandrene, one of them is exocyclic. Both are insoluble in water, but miscible with ether.

α-Phellandrene was named after Eucalyptus phellandra, now called Eucalyptus radiata, from which it can be isolated. It is also a constituent of the essential oil of Eucalyptus dives. β-Phellandrene has been isolated from the oil of water fennel and Canada balsam oil.

The phellandrenes are used in fragrances because of their pleasing aromas. The odor of β-phellandrene has been described as peppery-minty and slightly citrusy.

The α-phellandrene isomer can form hazardous and explosive peroxides on contact with air at elevated temperature.

Related Plants :
Ligand Related Dockings :
NA
Ligand References :
  1. https://en.wikipedia.org/wiki/Phellandrene
  2. https://pubchem.ncbi.nlm.nih.gov/compound/7460
  3. http://chem.sis.nlm.nih.gov/chemidplus/rn/99-83-2
alpha-Phellandrene

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