2-ethoxyethyl 2-[4-[2,6-dioxo-7-(4-propoxyphenyl)furo[2,3-f][1]benzofuran-3-yl]phenoxy]acetate (CED0301671)

Record Information
Version1.0
Creation Date2026-08-31 17:02:30 UTC
Update Date2026-08-31 17:02:30 UTC
Accession NumberCHEM347264
Identification
Common Name2-ethoxyethyl 2-[4-[2,6-dioxo-7-(4-propoxyphenyl)furo[2,3-f][1]benzofuran-3-yl]phenoxy]acetate
ClassSmall Molecule
Description
2-ethoxyethyl 2-[4-[2,6-dioxo-7-(4-propoxyphenyl)furo[2,3-f][1]benzofuran-3-yl]phenoxy]acetate is a chemical compound with the formula C31H28O9. With an average molecular weight of 544.50 g/mol, 2-ethoxyethyl 2-[4-[2,6-dioxo-7-(4-propoxyphenyl)furo[2,3-f][1]benzofuran-3-yl]phenoxy]acetate is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC31H28O9
Average Molecular MassNot Available
Monoisotopic Mass544.173 g/mol
CAS Registry Number126877-06-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCOC1=CC=C(C=C1)C2=C3C=C4C(=C(C(=O)O4)C5=CC=C(C=C5)OCC(=O)OCCOCC)C=C3OC2=O
InChI IdentifierInChI=1S/C31H28O9/c1-3-13-36-21-9-5-19(6-10-21)28-23-16-26-24(17-25(23)39-30(28)33)29(31(34)40-26)20-7-11-22(12-8-20)38-18-27(32)37-15-14-35-4-2/h5-12,16-17H,3-4,13-15,18H2,1-2H3
InChI KeyVMDZHYTVNRTTOI-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
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
5767.0Log mg/kg[3200:10000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)45.931
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)122.69
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)973.816
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)110.312
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)1277.27
Click to view 3D structureLong-chain-fatty-acid--CoA ligase 6Q9UKU0HumansPredicted (SEA)26.0016
Click to view 3D structureAcetylcholinesteraseQ6A2E2Aedes aegyptiPredicted (SEA)48.7336
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)1090.9
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)308.906
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)308.984
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)621.626
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)2953.6
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)737.621
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)445.92
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)653.311
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)340.045
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)124.014
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)143.398
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)274.574
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)449.657
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)612.284
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)411.277
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)307.193
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)647.783
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)378.97
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available