4-methyl-2-[(1z,3e)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]-2h-furan-5-one (CED0270164)

Record Information
Version1.0
Creation Date2026-08-29 18:00:01 UTC
Update Date2026-08-29 18:00:01 UTC
Accession NumberCHEM315286
Identification
Common Name4-methyl-2-[(1z,3e)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]-2h-furan-5-one
ClassSmall Molecule
Description
4-methyl-2-[(1z,3e)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]-2h-furan-5-one is a chemical compound with the formula C19H26O3. It has an average molecular weight of 302.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H26O3
Average Molecular MassNot Available
Monoisotopic Mass302.188 g/mol
CAS Registry Number1372138-86-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=C(C(CCC1)(C)C)C=CC(=COC2C=C(C(=O)O2)C)C
InChI IdentifierInChI=1S/C19H26O3/c1-13(12-21-17-11-15(3)18(20)22-17)8-9-16-14(2)7-6-10-19(16,4)5/h8-9,11-12,17H,6-7,10H2,1-5H3/b9-8+,13-12-
InChI KeyOTIYLZVFQIMLQH-FRGMPSNRSA-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 RolesNot Available
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
8707.0Log mg/kg[4900:15000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
597ChemosterilantsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Retinoic acid receptor RXR-beta structureClick to view 3D structureRetinoic acid receptor RXR-betaP28702HumansPredicted (SEA)4.12601
Click to view 3D structureCellular retinoic acid-binding protein 1P40220Gallus gallusPredicted (SEA)0.467095
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)59.7104
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)4.98235
Click to view 3D structureRetinoic acid receptor RXR-gammaP28705Mus musculusPredicted (SEA)4.7488
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)32.9302
Click to view 3D structureRetinoic acid receptor RXR-betaP28704Mus musculusPredicted (SEA)4.9045
Click to view 3D structurePhospholipase A2 alphaP00623Crotalus adamanteusPredicted (SEA)0.233548
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)944.622
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)301.354
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)638.286
Click to view 3D structureAldehyde dehydrogenase 1A1P27463Gallus gallusPredicted (SEA)0.311397
Click to view 3D structureBeta-lactoglobulinP02754Bos taurusPredicted (SEA)0.155698
Click to view 3D structureRetinoic acid receptor alphaP11416Mus musculusPredicted (SEA)0.934191
Click to view 3D structureRetinoic acid receptor gammaP18911Mus musculusPredicted (SEA)0.856341
Click to view 3D structureRetinoic acid receptor betaP22605Mus musculusPredicted (SEA)1.01204
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)6.69503
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)9.73115
Prosaposin structureClick to view 3D structureProsaposinP07602HumansPredicted (SEA)0.389246
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansPredicted (SEA)5.13805
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansPredicted (SEA)9.6533
Retinoic acid receptor RXR-gamma structureClick to view 3D structureRetinoic acid receptor RXR-gammaP48443HumansPredicted (SEA)3.65891
Click to view 3D structureRetinoic acid receptor RXR-alphaP28700Mus musculusPredicted (SEA)2.25763
Click to view 3D structureCellular retinoic acid-binding protein 1P62965Mus musculusPredicted (SEA)0.544945
Click to view 3D structureCellular retinoic acid-binding protein 2P22935Mus musculusPredicted (SEA)0.544945
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available