1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)hexadecan-1-one (CED0299123)

Record Information
Version1.0
Creation Date2026-08-31 12:58:08 UTC
Update Date2026-08-31 12:58:08 UTC
Accession NumberCHEM344688
Identification
Common Name1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)hexadecan-1-one
ClassSmall Molecule
Description
1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)hexadecan-1-one is a chemical compound with the formula C28H46O3. It has an average molecular weight of 430.70 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC28H46O3
Average Molecular MassNot Available
Monoisotopic Mass430.345 g/mol
CAS Registry Number1224874-11-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCCCC(=O)C1=C(C=C2C(=C1)CCC(O2)(C)C)OC
InChI IdentifierInChI=1S/C28H46O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)24-21-23-19-20-28(2,3)31-26(23)22-27(24)30-4/h21-22H,5-20H2,1-4H3
InChI KeyJPHRNERQGZBBPQ-UHFFFAOYSA-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
2666.0Log mg/kg[1500:4700]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
Cytochrome c oxidase subunit NDUFA4 structureClick to view 3D structureCytochrome c oxidase subunit NDUFA4O00483HumansPredicted (SEA)0.233548
Click to view 3D structurePhospholipase A2, membrane associatedP14422Oryctolagus cuniculusPredicted (SEA)1.47914
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1144.15
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)103.539
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansPredicted (SEA)183.335
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)50.057
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)762.377
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)519.566
5-hydroxytryptamine receptor 4 structureClick to view 3D structure5-hydroxytryptamine receptor 4Q13639HumansPredicted (SEA)109.456
Click to view 3D structure5-hydroxytryptamine receptor 4O70528Cavia porcellusPredicted (SEA)109.3
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2286.28
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)24.9896
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)1275.95
Click to view 3D structureM-phase inducer phosphatase 2P30306Mus musculusPredicted (SEA)4.20386
M-phase inducer phosphatase 2 structureClick to view 3D structureM-phase inducer phosphatase 2P30305HumansPredicted (SEA)21.0193
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)921.579
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)1669.48
Click to view 3D structureCarnitine palmitoyltransferase 1AQ9MYX2Sus scrofaPredicted (SEA)4.20386
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)217.121
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)275.119
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)1419.35
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)379.904
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)477.527
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)394.462
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)54.0274
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available