(S)-5-Hydroxypropafenone (CED0123653)

Record Information
Version1.0
Creation Date2026-04-06 09:31:12 UTC
Update Date2026-05-21 10:24:55 UTC
SynCED IDCED0123653
Secondary Accession Numbers
  • CHEM121699
Identification
Common Name(S)-5-Hydroxypropafenone
ClassSmall Molecule
Description
(S)-5-Hydroxypropafenone belongs to the cinnamylphenols, a subclass of linear 1,3-diarylpropanoids within the organic compounds. This compound is categorized under the superclass of phenylpropanoids and polyketides. It has been identified in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within textiles, leather and furnishings, it is found in synthetic textiles as well as carpets and rugs. Its presence is also recorded in food packaging under the food, food processing and cookware sector. Additionally, it is found in medical devices within the healthcare, pharmaceuticals and veterinary products sector. In the energy, oil and gas sector, as well as in industrial manufacturing and chemical processing, the compound is associated with lubricants. It is also present in one additional sector. Recorded exposure routes for (S)-5-Hydroxypropafenone include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry Number118648-84-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3/t18-/m0/s1
InChI KeyLUTWDNUXHDYZRA-SFHVURJKSA-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 ValuesNot 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
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.475
Applicability Domain
0.792
Statistical Significance
0.009
Supporting Reference Compounds
1498
E-value
70.3757
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.462
Applicability Domain
0.792
Statistical Significance
0.0012
Supporting Reference Compounds
258
E-value
9.6533
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.458
Applicability Domain
0.792
Statistical Significance
0.0011
Supporting Reference Compounds
180
E-value
8.48557
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)
Prediction Confidence Score
0.444
Applicability Domain
0.792
Statistical Significance
0.0037
Supporting Reference Compounds
139
E-value
28.7264
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.792
Statistical Significance
0.001
Supporting Reference Compounds
145
E-value
7.94062
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.433
Applicability Domain
0.792
Statistical Significance
0.0034
Supporting Reference Compounds
506
E-value
26.7023
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
0.792
Statistical Significance
0.0085
Supporting Reference Compounds
1130
E-value
66.0161
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.428
Applicability Domain
0.792
Statistical Significance
0.0096
Supporting Reference Compounds
541
E-value
74.6574
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.413
Applicability Domain
0.792
Statistical Significance
0.004
Supporting Reference Compounds
451
E-value
31.1397
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.792
Statistical Significance
0.0071
Supporting Reference Compounds
686
E-value
55.4286
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.792
Statistical Significance
0.0113
Supporting Reference Compounds
823
E-value
87.9696
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.792
Statistical Significance
0.0166
Supporting Reference Compounds
955
E-value
129.152
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.792
Statistical Significance
0.008
Supporting Reference Compounds
536
E-value
62.5908
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.792
Statistical Significance
0.0107
Supporting Reference Compounds
562
E-value
83.4544
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.792
Statistical Significance
0.0017
Supporting Reference Compounds
139
E-value
12.923
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.386
Applicability Domain
0.792
Statistical Significance
0.0056
Supporting Reference Compounds
208
E-value
43.5177
Click to view 3D structureAlpha-1B adrenergic receptorP15823Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.792
Statistical Significance
0.0027
Supporting Reference Compounds
130
E-value
21.4085
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.792
Statistical Significance
0.0144
Supporting Reference Compounds
793
E-value
112.336
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.435
Statistical Significance
0.0012
Supporting Reference Compounds
48
E-value
9.73115
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.356
Statistical Significance
8.70e-04
Supporting Reference Compounds
1
E-value
6.77288
Potassium channel subfamily K member 2 structureClick to view 3D structurePotassium channel subfamily K member 2O95069HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.792
Statistical Significance
8.00e-05
Supporting Reference Compounds
21
E-value
0.622794
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.435
Statistical Significance
0.001
Supporting Reference Compounds
37
E-value
7.86277
Click to view 3D structureBeta-1 adrenergic receptorP34971Mus musculusPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.382
Statistical Significance
7.80e-04
Supporting Reference Compounds
13
E-value
6.07224
Potassium channel subfamily K member 3 structureClick to view 3D structurePotassium channel subfamily K member 3O14649HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.792
Statistical Significance
0.0018
Supporting Reference Compounds
15
E-value
14.0129
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.408
Statistical Significance
0.0265
Supporting Reference Compounds
593
E-value
206.69
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available