(4e)-2-methylhepta-2,4-diene (CED0313240)

Record Information
Version1.0
Creation Date2026-09-01 12:42:39 UTC
Update Date2026-09-01 12:42:39 UTC
Accession NumberCHEM359093
Identification
Common Name(4e)-2-methylhepta-2,4-diene
ClassSmall Molecule
Description
(4e)-2-methylhepta-2,4-diene is a chemical compound with the formula C8H14. It has an average molecular weight of 110.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H14
Average Molecular MassNot Available
Monoisotopic Mass110.110 g/mol
CAS Registry Number54612-24-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC=CC=C(C)C
InChI IdentifierInChI=1S/C8H14/c1-4-5-6-7-8(2)3/h5-7H,4H2,1-3H3/b6-5+
InChI KeyZXLUFQJSMQSMTR-AATRIKPKSA-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
3520.0Log mg/kg[2000:6300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)2776.34
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)3443.89
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)2231.16
Click to view 3D structureOxoeicosanoid receptor 1Q8TDS5HumansPredicted (SEA)32.6967
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)1.47914
Click to view 3D structureAlpha-galactosidaseQ5DUH8Coffea arabicaPredicted (SEA)6.53933
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)3089.29
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)348.609
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)2.56902
Click to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)2.56902
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)3000.85
Click to view 3D structureSqualene epoxidaseA7L861Sus scrofaPredicted (SEA)4.9045
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)7378.24
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)7269.56
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)6801.92
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)5594.63
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)6347.83
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)46.6317
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)6969.3
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)6449.42
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)6955.28
Click to view 3D structureProtein-S-isoprenylcysteine O-methyltransferaseP32584Saccharomyces cerevisiae S288cPredicted (SEA)17.5939
Click to view 3D structureSeed linoleate 9S-lipoxygenaseP24095Glycine maxPredicted (SEA)2.88042
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)8.56341
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)3494.73
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available