4-[(2s,3s,4r,5r,6r)-4,5-bis(3-carboxypropanoyloxy)-2-methyl-6-[[(2r,3r,4s,5r,6s)-3,4,5-tris(3-carboxypropanoyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-oxobutanoic acid (CED0309107)

Record Information
Version1.0
Creation Date2026-09-01 06:44:32 UTC
Update Date2026-09-01 06:44:32 UTC
Accession NumberCHEM354783
Identification
Common Name4-[(2s,3s,4r,5r,6r)-4,5-bis(3-carboxypropanoyloxy)-2-methyl-6-[[(2r,3r,4s,5r,6s)-3,4,5-tris(3-carboxypropanoyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-oxobutanoic acid
ClassSmall Molecule
Description
4-[(2s,3s,4r,5r,6r)-4,5-bis(3-carboxypropanoyloxy)-2-methyl-6-[[(2r,3r,4s,5r,6s)-3,4,5-tris(3-carboxypropanoyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-oxobutanoic acid is a chemical compound with the formula C51H54O34. With an average molecular weight of 1,211 g/mol, 4-[(2s,3s,4r,5r,6r)-4,5-bis(3-carboxypropanoyloxy)-2-methyl-6-[[(2r,3r,4s,5r,6s)-3,4,5-tris(3-carboxypropanoyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-oxobutanoic acid is a heavy molecule. This substance has been found in or released from two recorded sources. These sources include Electrical & Electronic Equipment, specifically thin magnetic films, as well as Building & Construction, specifically tents or canopies.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC51H54O34
Average Molecular MassNot Available
Monoisotopic Mass1210.250 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O
InChI IdentifierInChI=1S/C51H54O34/c1-20-42(79-34(68)10-4-28(56)57)46(81-36(70)12-6-30(60)61)48(83-38(72)14-8-32(64)65)50(76-20)75-19-27-44(80-35(69)11-5-29(58)59)47(82-37(71)13-7-31(62)63)49(84-39(73)15-9-33(66)67)51(78-27)85-45-41(74)40-25(55)17-22(52)18-26(40)77-43(45)21-2-3-23(53)24(54)16-21/h2-3,16-18,20,27,42,44,46-55H,4-15,19H2,1H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)/t20-,27+,42-,44+,46+,47-,48+,49+,50+,51-/m0/s1
InChI KeyCNCZOAMEKQQFOA-HZQGBTCBSA-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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
653SewingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)3.65891
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)4.9045
Click to view 3D structureNonstructural protein 5V5TFZ2Dengue virusPredicted (SEA)0.934191
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)35.9663
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)16.3483
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)26.0795
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)33.2416
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)10.821
Lysine-specific histone demethylase 1A structureClick to view 3D structureLysine-specific histone demethylase 1AO60341HumansPredicted (SEA)5.29375
Click to view 3D structureArginaseO96394Leishmania amazonensisPredicted (SEA)0.934191
Click to view 3D structureD-alanine--D-alanine ligaseQ1CTD3Helicobacter pylori (strain HPAG1)Predicted (SEA)1.71268
Click to view 3D structureAldo-keto reductase family 1 member C21Q91WR5Mus musculusPredicted (SEA)1.71268
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)24.6004
Click to view 3D structureNADPH oxidase 4Q9NPH5HumansPredicted (SEA)2.80257
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)71.232
Xanthine dehydrogenase/oxidase structureClick to view 3D structureXanthine dehydrogenase/oxidaseP47989HumansPredicted (SEA)5.83869
Beta-secretase 1 structureClick to view 3D structureBeta-secretase 1P56817HumansPredicted (SEA)47.9551
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)306.415
Click to view 3D structureAldo-keto reductase family 1 member B1P16116Bos taurusPredicted (SEA)7.16213
Click to view 3D structureInositol hexakisphosphate kinase 2Q9UHH9HumansPredicted (SEA)6.30579
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)195.946
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)32.1517
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)24.6004
Inositol polyphosphate multikinase structureClick to view 3D structureInositol polyphosphate multikinaseQ8NFU5HumansPredicted (SEA)4.28171
Click to view 3D structure3-oxoacyl-acyl-carrier protein reductaseQ965D6Plasmodium falciparumPredicted (SEA)5.76084
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available