(E)-3-(3,4-dihydroxyphenyl)-1-[4-(ß-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-2-propen-1-one (CED0105925)

Record Information
Version1.0
Creation Date2026-04-04 19:37:18 UTC
Update Date2026-04-04 19:37:18 UTC
SynCED IDCED0105925
Secondary Accession Numbers
  • CHEM079678
Identification
Common Name(E)-3-(3,4-dihydroxyphenyl)-1-[4-(ß-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-2-propen-1-one
ClassSmall Molecule
Description
(E)-3-(3,4-dihydroxyphenyl)-1-[4-(ß-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-2-propen-1-one belongs to the flavonoid glycosides, a subclass of flavonoids within the organic compounds. This compound has the chemical formula C21H22O11 and is classified under the superclass of phenylpropanoids and polyketides. It has been found in or released from one recorded source, which is electrical and electronic equipment, specifically antennas.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H22O11
Average Molecular MassNot Available
Monoisotopic Mass450.116 g/mol
CAS Registry Number535-96-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2
InChI KeyXGEYXJDOVMEJNG-HTFDPZBKSA-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
4007.0 Log mg/kg [2300:7100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
hyperlipidemiaHas Therapeutic Effect OnNot AvailableNot AvailablePMC12382962
Exposure Sources
Source IDSourceSectorReference
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000689Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.Building & ConstructionPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Xanthine dehydrogenase/oxidase structureClick to view 3D structureXanthine dehydrogenase/oxidaseP80457Bos taurusPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
0.528
Statistical Significance
3.80e-04
Supporting Reference Compounds
29
E-value
2.95827
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.46
Statistical Significance
0.003
Supporting Reference Compounds
242
E-value
23.744
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.46
Statistical Significance
0.0049
Supporting Reference Compounds
332
E-value
37.8347
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.46
Statistical Significance
0.0059
Supporting Reference Compounds
407
E-value
45.6196
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.46
Statistical Significance
0.0068
Supporting Reference Compounds
472
E-value
53.3267
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.405
Applicability Domain
0.46
Statistical Significance
0.0023
Supporting Reference Compounds
193
E-value
18.061
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.401
Applicability Domain
0.439
Statistical Significance
0.0013
Supporting Reference Compounds
78
E-value
10.5096
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.46
Statistical Significance
0.0059
Supporting Reference Compounds
372
E-value
46.0867
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.439
Statistical Significance
0.0018
Supporting Reference Compounds
84
E-value
13.7015
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.432
Statistical Significance
0.0019
Supporting Reference Compounds
96
E-value
15.1027
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.385
Applicability Domain
0.439
Statistical Significance
0.0013
Supporting Reference Compounds
70
E-value
10.0426
Lysine-specific histone demethylase 1A structureClick to view 3D structureLysine-specific histone demethylase 1AO60341HumansPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.432
Statistical Significance
0.0013
Supporting Reference Compounds
85
E-value
9.9647
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.46
Statistical Significance
0.0036
Supporting Reference Compounds
165
E-value
28.1814
Oligo-1,6-glucosidase IMA1 structureClick to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.364
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.4
Statistical Significance
0.0114
Supporting Reference Compounds
315
E-value
88.826
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.46
Statistical Significance
0.004
Supporting Reference Compounds
151
E-value
30.8283
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.375
Statistical Significance
0.0085
Supporting Reference Compounds
126
E-value
66.0161
Large T antigen structureClick to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.432
Statistical Significance
0.001
Supporting Reference Compounds
78
E-value
8.09632
Beta-secretase 1 structureClick to view 3D structureBeta-secretase 1P56817HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.432
Statistical Significance
0.0107
Supporting Reference Compounds
163
E-value
83.6101
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.4
Statistical Significance
0.0091
Supporting Reference Compounds
241
E-value
70.6871
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.348
Statistical Significance
0.0024
Supporting Reference Compounds
49
E-value
18.606
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.364
Statistical Significance
0.0068
Supporting Reference Compounds
182
E-value
52.9375
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.364
Statistical Significance
0.024
Supporting Reference Compounds
292
E-value
186.76
Click to view 3D structure17-beta-hydroxysteroid dehydrogenase type 2P37059HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.439
Statistical Significance
0.0017
Supporting Reference Compounds
44
E-value
12.923
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.344
Statistical Significance
0.0077
Supporting Reference Compounds
109
E-value
59.7104
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available