Accession Number: pdtdbl00052

Details of the Ligand

Ligand Name : beta-Cyclocitral
Systematic Names : beta-Cyclocitral; b-Cyclocitral; .beta.-Cyclocitral; 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-; 2,6,6-Trimethyl-1-Cyclohexene-1-Carboxaldehyde
Molecular Formula : C10H16O
Molecular Weight : g/mol
IUPAC Name : 2,6,6-trimethylcyclohexene-1-carbaldehyde
Canonical SMILES : CC1=C(C(CCC1)(C)C)C=O
Ligand Description :
β-Cyclocitral is a pale to yellow liquid that has an assay of 85 - 90% β-Cyclocitral and 3 - 10% α-Cyclocitral. β-Cyclocitral is formed by Cyanobacteria in reservoirs or water distribution systems. It imparts an aromatic odour to water, reminiscent of hay or dry wood at low concentrations, becoming more tobacco-like and fruity at higher concentrations.
Related Plants :
Mango
Ligand Related Dockings :
NA
Ligand References :
  1. https://pubchem.ncbi.nlm.nih.gov/compound/beta-Cyclocitral
  2. http://chem.sis.nlm.nih.gov/chemidplus/name/beta-cyclocitral
  3. http://www.aroxa.com/water/water-flavour-standard/cyclocitral/
  4. https://www.ulprospector.com/en/na/Food/Detail/10950/334666/Beta-Cyclocitral
beta-Cyclocitral

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