7-Hydroxy-4,9-dimethoxy-7-(nonafluorobutyl)-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-5-one (CED0190900)

Record Information
Version1.0
Creation Date2026-04-06 05:57:54 UTC
Update Date2026-08-28 22:21:21 UTC
SynCED IDCED0190900
Secondary Accession Numbers
  • CHEM118513
Identification
Common Name7-Hydroxy-4,9-dimethoxy-7-(nonafluorobutyl)-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-5-one
ClassSmall Molecule
Description
7-Hydroxy-4,9-dimethoxy-7-(nonafluorobutyl)-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-5-one is an organoheterocyclic compound with the chemical formula C17H11F9O6 and an average molecular weight of 482.25 g/mol. 7-Hydroxy-4,9-dimethoxy-7-(nonafluorobutyl)-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-5-one belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This substance has been identified in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. It is also found in the energy, oil and gas sector as well as industrial manufacturing and chemical processing, specifically in lubricants. Other recorded sources include medical devices from the healthcare, pharmaceuticals and veterinary products sector, food packaging from the food, food processing and cookware sector, and synthetic textiles, carpets and rugs from the textiles, leather and furnishings sector, along with one further sector. Recorded exposure routes for this compound include touch, oral, and inhalation.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC17H11F9O6
Average Molecular Mass482.255 g/mol
Monoisotopic Mass482.041 g/mol
CAS Registry Number376382-61-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C2OC=CC2=C(OC)C2=C1OC(O)(CC2=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1/C17H11F9O6/c1-29-9-6-3-4-31-10(6)12(30-2)11-8(9)7(27)5-13(28,32-11)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-4,28H,5H2,1-2H3
InChI KeyLYIZXAZAVJKRNW-UHFFFAOYSA-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
4456.0 Log mg/kg [2500:7900]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
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
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.27 Low confidence
Statistical Significance
0.7296
Supporting Reference Compounds
793
E-value
5679.96
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.27 Low confidence
Statistical Significance
0.8643
Supporting Reference Compounds
1538
E-value
6728.74
Click to view 3D structurePotassium voltage-gated channel subfamily A member 1Q09470HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0065
Supporting Reference Compounds
10
E-value
50.3684
Click to view 3D structurePotassium voltage-gated channel subfamily A member 5P22460HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0696
Supporting Reference Compounds
37
E-value
541.831
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.238 Low confidence
Statistical Significance
0.3213
Supporting Reference Compounds
242
E-value
2501.14
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.238 Low confidence
Statistical Significance
0.4047
Supporting Reference Compounds
332
E-value
3150.87
Click to view 3D structurePotassium voltage-gated channel subfamily A member 2P16389HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
4
E-value
9.34191
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.238 Low confidence
Statistical Significance
0.4441
Supporting Reference Compounds
372
E-value
3457.67
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.288 Low confidence
Statistical Significance
0.9383
Supporting Reference Compounds
1498
E-value
7304.98
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.27 Low confidence
Statistical Significance
0.9154
Supporting Reference Compounds
1130
E-value
7126.4
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.27 Low confidence
Statistical Significance
0.1213
Supporting Reference Compounds
77
E-value
944.622
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.27 Low confidence
Statistical Significance
0.9389
Supporting Reference Compounds
1245
E-value
7309.11
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.238 Low confidence
Statistical Significance
0.5407
Supporting Reference Compounds
407
E-value
4209.7
Cyclin-dependent kinase 1 structureClick to view 3D structureCyclin-dependent kinase 1P06493HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.225 Low confidence
Statistical Significance
0.8264
Supporting Reference Compounds
715
E-value
6433.15
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.225 Low confidence
Statistical Significance
0.8409
Supporting Reference Compounds
779
E-value
6546.65
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.225 Low confidence
Statistical Significance
0.8593
Supporting Reference Compounds
906
E-value
6689.74
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.27 Low confidence
Statistical Significance
0.9206
Supporting Reference Compounds
825
E-value
7166.57
Carbonic anhydrase 13 structureClick to view 3D structureCarbonic anhydrase 13Q8N1Q1HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.222 Low confidence
Statistical Significance
0.2409
Supporting Reference Compounds
92
E-value
1875.39
NADPH--cytochrome P450 reductase structureClick to view 3D structureNADPH--cytochrome P450 reductaseP16435HumansPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.8451
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9383
Supporting Reference Compounds
1130
E-value
7304.44
Dual specificity protein kinase CLK1 structureClick to view 3D structureDual specificity protein kinase CLK1P49759HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.225 Low confidence
Statistical Significance
0.7318
Supporting Reference Compounds
268
E-value
5697.08
Click to view 3D structureEndothelin receptor type BP48302Mus musculusPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.193 Low confidence
Statistical Significance
0.0234
Supporting Reference Compounds
2
E-value
181.856
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.213 Low confidence
Statistical Significance
0.8981
Supporting Reference Compounds
727
E-value
6991.56
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.194 Low confidence
Statistical Significance
0.9434
Supporting Reference Compounds
1660
E-value
7344.22
Click to view 3D structurePotassium voltage-gated channel subfamily A member 3P16390Mus musculusPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0026
Supporting Reference Compounds
5
E-value
20.0851
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available