Accession Number: pdtdbl00178

Details of the Ligand

Ligand Name : 3-Octanone
Systematic Names : 3-Octanone; Octan-3-one; Ethyl amyl ketone; Amyl ethyl ketone; N-Octanone-3
Molecular Formula : C8H16O
Molecular Weight : g/mol
IUPAC Name : octan-3-one
Canonical SMILES : CCCCCC(=O)CC
Ligand Description :
3-Octanone is a natural ketone found in a variety of sources such as plants (such as lavender), herbs (such as rosemary), and fruits (such as nectarine). It is used as a flavor and fragrance ingredient. 3-Octanone is a positional isomer of 2-octanone and 4-octanone. It was also found to be present in Schizonepeta tenuifolia.
Related Plants :
Lemon balm
Ligand Related Dockings :
NA
Ligand References :
  1. https://en.wikipedia.org/wiki/3-Octanone
  2. https://pubchem.ncbi.nlm.nih.gov/compound/246728
  3. http://chem.sis.nlm.nih.gov/chemidplus/name/3-octanone
3-Octanone

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