1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-pyridin-2-ylpropan-1-one (CED0264029)

Record Information
Version1.0
Creation Date2026-08-29 09:50:47 UTC
Update Date2026-08-29 09:50:47 UTC
Accession NumberCHEM309003
Identification
Common Name1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-pyridin-2-ylpropan-1-one
ClassSmall Molecule
Description
1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-pyridin-2-ylpropan-1-one is a compound with the formula C18H21NO3. It has an average molecular weight of 299.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H21NO3
Average Molecular MassNot Available
Monoisotopic Mass299.152 g/mol
CAS Registry Number1190230-47-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=N2)O
InChI IdentifierInChI=1S/C18H21NO3/c1-13(2)12-22-15-7-8-16(18(21)11-15)17(20)9-6-14-5-3-4-10-19-14/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3
InChI KeyANKJXSOMEJINDX-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
767.0Log mg/kg[430:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
545Food PreservationFood, food processing & cookwareNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSignal transducer and transcription activator 6P52633Mus musculusPredicted (SEA)1.24559
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)25.8459
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)611.895
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)117.864
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1601.05
Sphingomyelinase C structureClick to view 3D structureSphingomyelinase CP11889Bacillus cereusPredicted (SEA)4.98235
Click to view 3D structure5-hydroxytryptamine receptorG3I1B6Cricetulus griseusPredicted (SEA)34.0201
Click to view 3D structure5-hydroxytryptamine receptor 1BP46636Cricetulus griseusPredicted (SEA)34.0201
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)607.068
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)1776.36
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)177.029
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)428.716
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)2557.27
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)212.995
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)329.147
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2888.91
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)261.34
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)194.0
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)216.343
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)58.5426
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)411.277
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)314.199
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)314.277
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)33.7866
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)37.4455
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available