(e)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one (CED0033526)

Record Information
Version1.0
Creation Date2026-08-19 09:21:16 UTC
Update Date2026-08-19 09:21:16 UTC
Accession NumberCHEM183026
Identification
Common Name(e)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
ClassSmall Molecule
Description
(e)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one belongs to the chalcones and dihydrochalcones, a subclass of linear 1,3-diarylpropanoids within the organic compounds. This compound, categorized under the superclass of phenylpropanoids and polyketides, has the formula C15H12O3 and an average molecular weight of 240.25 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H12O3
Average Molecular Mass240.250 g/mol
Monoisotopic Mass240.079 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
InChI KeyJUMSUVHHUVPSOY-RMKNXTFCSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000i-2890000000-a96a83810b7042855080Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0190000000-1797043365a1957806b3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0016-0940000000-536bc8b6d661ea9df667Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-4900000000-e92b9b20f3c7f8b46e05Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0290000000-131ddb411536bce8d6baNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0590000000-86ad2702cdb565a1ee43Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pvi-5900000000-fbd1899dd505da2b5b64Not AvailableView Spectrum
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
3068.0Log mg/kg[1700:5500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
612Body Washing Or Cleaning ImplementsPersonal 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 structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)0.0778492
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)2.25763
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)0.622794
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)2.02408
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)1.01204
Click to view 3D structureSortase AQ8CM62Streptococcus mutansPredicted (SEA)0.700643
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)1.63483
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)4.20386
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)5.52729
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)17.6718
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)26.4687
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)18.2167
Click to view 3D structureXanthine dehydrogenase/oxidaseP80457Bos taurusPredicted (SEA)1.16774
Click to view 3D structure17-beta-hydroxysteroid dehydrogenase type 2P37059HumansPredicted (SEA)1.86838
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)3.34752
Click to view 3D structureTubulin alpha 4aC5ISA2Ovis ariesPredicted (SEA)0.856341
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansPredicted (SEA)0.311397
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)88.3589
Click to view 3D structureTyrosinaseP11344Mus musculusPredicted (SEA)0.311397
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)37.9126
Death-associated protein kinase 1 structureClick to view 3D structureDeath-associated protein kinase 1P53355HumansPredicted (SEA)8.09632
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)15.3363
Click to view 3D structureTyrosinaseO42713Agaricus bisporusPredicted (SEA)1.01204
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)54.8059
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)10.6653
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available