[4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate (CED0074619)

Record Information
Version1.0
Creation Date2026-08-20 04:55:41 UTC
Update Date2026-08-20 04:55:41 UTC
Accession NumberCHEM200444
Identification
Common Name[4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
ClassSmall Molecule
Description
[4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This organic acid and derivative has the chemical formula C20H16O10P2 and an average molecular weight of 478.30 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H16O10P2
Average Molecular Mass478.300 g/mol
Monoisotopic Mass478.022 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C20H16O10P2/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27/h1-12H,(H2,22,23,24)(H2,25,26,27)
InChI KeyWMDDNKROYKCDJC-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
2802.0Log mg/kg[1600:5000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP00469Lactobacillus caseiPredicted (SEA)6.07224
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP0A884Escherichia coli (strain K12)Predicted (SEA)0.311397
Click to view 3D structureThymidylate synthaseP0CS13Cryptococcus neoformans var. neoformans B-3501APredicted (SEA)0.311397
Click to view 3D structureThymidylate synthaseC3SWJ7Escherichia coliPredicted (SEA)6.61718
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP04818HumansPredicted (SEA)10.0426
Click to view 3D structureThymidylate synthaseQ834R3Enterococcus faecalis (strain ATCC 700802 / V583)Predicted (SEA)0.311397
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)148.381
Click to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2Q6P549Mus musculusPredicted (SEA)0.233548
Type II inositol 1,4,5-trisphosphate 5-phosphatase structureClick to view 3D structureType II inositol 1,4,5-trisphosphate 5-phosphataseP32019HumansPredicted (SEA)0.233548
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)112.881
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)89.4488
Alpha-L-iduronidase structureClick to view 3D structureAlpha-L-iduronidaseP35475HumansPredicted (SEA)4.04816
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)28.9599
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)158.657
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)8.79696
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)1363.45
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)160.992
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1246.37
Mothers against decapentaplegic homolog 3 structureClick to view 3D structureMothers against decapentaplegic homolog 3P84022HumansPredicted (SEA)5.29375
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 structureClick to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2O15357HumansPredicted (SEA)1.55698
Click to view 3D structureSentrin-specific protease 6Q9GZR1HumansPredicted (SEA)605.978
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)1818.32
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)5230.84
6,7-dimethyl-8-ribityllumazine synthase structureClick to view 3D structure6,7-dimethyl-8-ribityllumazine synthaseP9WHE9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)6.30579
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)1256.72
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available