(e)-1,3-bis(2-hydroxyphenyl)prop-2-en-1-one (CED0028999)

Record Information
Version1.0
Creation Date2026-08-19 09:21:29 UTC
Update Date2026-08-19 09:21:29 UTC
Accession NumberCHEM183030
Identification
Common Name(e)-1,3-bis(2-hydroxyphenyl)prop-2-en-1-one
ClassSmall Molecule
Description
(e)-1,3-bis(2-hydroxyphenyl)prop-2-en-1-one belongs to the chalcones and dihydrochalcones, a subclass of linear 1,3-diarylpropanoids within the organic compounds. It is a member of the phenylpropanoids and polyketides superclass. The compound 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 Number15131-80-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C15H12O3/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9+
InChI KeyKSHCTKZLHCSARH-MDZDMXLPSA-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
3802.0Log mg/kg[2100:6800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal 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)1.32344
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)5.3716
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)6.85073
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)14.8692
Click to view 3D structureTubulin alpha 4aC5ISA2Ovis ariesPredicted (SEA)1.63483
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)10.2761
Click to view 3D structureShiga toxin subunit AQ9FBI2Shigella dysenteriaePredicted (SEA)0.389246
Click to view 3D structureEndothelin-converting enzyme 2P0DPD6HumansPredicted (SEA)0.389246
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)19.9294
Click to view 3D structureSortase AQ8CM62Streptococcus mutansPredicted (SEA)4.67095
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)24.289
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)286.641
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)1.94623
Click to view 3D structureNS3A3EZJ3Hepatitis C virusPredicted (SEA)5.52729
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)138.961
Hepatocyte nuclear factor 4-alpha structureClick to view 3D structureHepatocyte nuclear factor 4-alphaP41235HumansPredicted (SEA)0.856341
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)18.9952
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)13.8572
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansPredicted (SEA)2.64687
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)134.446
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)35.3435
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)7.39568
Click to view 3D structureTyrosinaseP11344Mus musculusPredicted (SEA)1.55698
Click to view 3D structureXanthine dehydrogenase/oxidaseP80457Bos taurusPredicted (SEA)11.9888
Click to view 3D structurePerilipin-1O60240HumansPredicted (SEA)1.71268
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available