(e)-1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one (CED0149393)

Record Information
Version1.0
Creation Date2026-08-19 19:19:51 UTC
Update Date2026-08-19 19:19:51 UTC
Accession NumberCHEM192153
Identification
Common Name(e)-1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one
ClassSmall Molecule
Description
(e)-1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one is an organic compound with the chemical formula C17H16O4 and an average molecular weight of 284.31 g/mol. (e)-1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one belongs to the chalcones and dihydrochalcones, a subclass of linear 1,3-diarylpropanoids within the organic compounds. It is further classified under the superclass of phenylpropanoids and polyketides. This compound is found in or released from four recorded sources. These include materials used in building and construction, specifically fencing and floors, as well as electrical and electronic equipment, such as adjustable resistors, superconducting magnets, and superconducting coils.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC17H16O4
Average Molecular Mass284.310 g/mol
Monoisotopic Mass284.105 g/mol
CAS Registry Number67777-33-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C17H16O4/c1-11-15(21-2)10-14(19)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
InChI KeyJOWOJLYSOUYSCI-CMDGGOBGSA-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
2369.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
496FencingBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
653SewingTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureTranscription factor p65Q04207Mus musculusPredicted (SEA)0.0778492
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)21.4864
Click to view 3D structureSortase AQ8CM62Streptococcus mutansPredicted (SEA)2.41333
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)19.6959
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)11.2881
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)15.7255
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)21.0193
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)7.23998
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)2.64687
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)10.1982
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)1.40129
Click to view 3D structureElongation factor 2P58252Mus musculusPredicted (SEA)0.0778492
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)211.983
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)100.348
Stromal cell-derived factor 1 structureClick to view 3D structureStromal cell-derived factor 1P48061HumansPredicted (SEA)2.56902
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)81.1967
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)72.1662
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)92.0178
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)16.0369
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)68.1959
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)43.5956
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)21.7199
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)172.358
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)227.242
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)71.232
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available