4-o-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] 1-o-(2-methoxyethyl) butanedioate (CED0303642)

Record Information
Version1.0
Creation Date2026-08-31 20:15:24 UTC
Update Date2026-08-31 20:15:24 UTC
Accession NumberCHEM349251
Identification
Common Name4-o-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] 1-o-(2-methoxyethyl) butanedioate
ClassSmall Molecule
Description
4-o-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] 1-o-(2-methoxyethyl) butanedioate has the chemical formula C34H40O20. With an average molecular weight of 768.70 g/mol, 4-o-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] 1-o-(2-methoxyethyl) butanedioate is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC34H40O20
Average Molecular MassNot Available
Monoisotopic Mass768.211 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)OC(=O)CCC(=O)OCCOC)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI IdentifierInChI=1S/C34H40O20/c1-13-24(40)27(43)29(45)33(50-13)49-12-20-25(41)28(44)30(46)34(53-20)54-32-26(42)23-18(37)10-15(51-22(39)6-5-21(38)48-8-7-47-2)11-19(23)52-31(32)14-3-4-16(35)17(36)9-14/h3-4,9-11,13,20,24-25,27-30,33-37,40-41,43-46H,5-8,12H2,1-2H3/t13-,20+,24-,25+,27+,28-,29+,30+,33+,34-/m0/s1
InChI KeyOOKBTGMJJABDAG-NVUVRAFASA-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
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 structureNonstructural protein 5V5TFZ2Dengue virusPredicted (SEA)0.700643
Lysine-specific histone demethylase 1A structureClick to view 3D structureLysine-specific histone demethylase 1AO60341HumansPredicted (SEA)3.26967
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)5.52729
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)41.4158
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)18.9174
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)30.2055
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)37.6012
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)13.0787
Click to view 3D structureArginaseO96394Leishmania amazonensisPredicted (SEA)1.16774
Beta-secretase 1 structureClick to view 3D structureBeta-secretase 1P56817HumansPredicted (SEA)53.8717
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)38.7689
Click to view 3D structureNADPH oxidase 4Q9NPH5HumansPredicted (SEA)4.28171
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)109.067
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)90.5386
Xanthine dehydrogenase/oxidase structureClick to view 3D structureXanthine dehydrogenase/oxidaseP47989HumansPredicted (SEA)9.34191
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)608.625
Click to view 3D structureD-alanine--D-alanine ligaseQ1CTD3Helicobacter pylori (strain HPAG1)Predicted (SEA)3.97031
Aldo-keto reductase family 1 member C21 structureClick to view 3D structureAldo-keto reductase family 1 member C21Q91WR5Mus musculusPredicted (SEA)3.97031
Click to view 3D structureAldo-keto reductase family 1 member B1P16116Bos taurusPredicted (SEA)12.6116
Click to view 3D structureIntestinal-type alkaline phosphataseP09923HumansPredicted (SEA)4.51525
High mobility group protein B1 structureClick to view 3D structureHigh mobility group protein B1P09429HumansPredicted (SEA)0.311397
Click to view 3D structureInositol hexakisphosphate kinase 2Q9UHH9HumansPredicted (SEA)9.34191
Click to view 3D structureIntestinal-type alkaline phosphataseP24822Mus musculusPredicted (SEA)12.1445
Pyruvate kinase PKM structureClick to view 3D structurePyruvate kinase PKMP14618HumansPredicted (SEA)14.1686
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available