[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate (CED0066134)

Record Information
Version1.0
Creation Date2026-08-21 23:02:28 UTC
Update Date2026-08-21 23:02:28 UTC
Accession NumberCHEM206237
Identification
Common Name[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
ClassSmall Molecule
Description
[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate belongs to the retinoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C22H32O2 and an average molecular weight of 328.50 g/mol. Biologically, it functions as a metabolite (PMC7919053). The compound is associated with eight recorded sources across various sectors. In the realm of electrical and electronic equipment, it is found in antennas, superconducting magnets and superconducting coils, and superconductive or hyperconductive conductors cables or transmission lines. Within food, food processing, and cookware, it is linked to the treatment of hops, the preparation of vinegar, and agglomerated sugar products. Additionally, it is released from building and construction materials such as tents or canopies, as well as household cleaning and consumer products, specifically non electric simulated smoking devices.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC22H32O2
Average Molecular Mass328.500 g/mol
Monoisotopic Mass328.240 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
InChI KeyQGNJRVVDBSJHIZ-QHLGVNSISA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5565.0Log mg/kg[3100:9900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
541Agglomerated Sugar ProductsFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)5.0602
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)78.7834
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)117.163
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)228.721
Click to view 3D structureRetinal dehydrogenase 2O93344Gallus gallusPredicted (SEA)0.155698
Click to view 3D structureAldehyde dehydrogenase 1A1P27463Gallus gallusPredicted (SEA)0.155698
Click to view 3D structureRetinoic acid receptor alphaP11416Mus musculusPredicted (SEA)0.155698
Click to view 3D structureRetinoic acid receptor gammaP18911Mus musculusPredicted (SEA)0.155698
Click to view 3D structureRetinoic acid receptor betaP22605Mus musculusPredicted (SEA)0.155698
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)1.63483
Click to view 3D structureBeta-lactoglobulinP02754Bos taurusPredicted (SEA)0.155698
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)1.47914
Prosaposin structureClick to view 3D structureProsaposinP07602HumansPredicted (SEA)0.233548
Click to view 3D structureRetinoic acid receptor RXR-alphaP28700Mus musculusPredicted (SEA)0.389246
Click to view 3D structureCellular retinoic acid-binding protein 1P62965Mus musculusPredicted (SEA)0.233548
Click to view 3D structureCellular retinoic acid-binding protein 2P22935Mus musculusPredicted (SEA)0.233548
Click to view 3D structureCellular retinoic acid-binding protein 1P40220Gallus gallusPredicted (SEA)0.233548
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansPredicted (SEA)1.32344
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansPredicted (SEA)2.17978
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)8.32987
Retinoic acid receptor RXR-gamma structureClick to view 3D structureRetinoic acid receptor RXR-gammaP48443HumansPredicted (SEA)1.24559
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)0.544945
Retinoic acid receptor RXR-beta structureClick to view 3D structureRetinoic acid receptor RXR-betaP28702HumansPredicted (SEA)1.63483
Click to view 3D structureRetinoic acid receptor RXR-gammaP28705Mus musculusPredicted (SEA)1.55698
Click to view 3D structureRetinoic acid receptor RXR-betaP28704Mus musculusPredicted (SEA)1.55698
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available