[12-(3,4,5-trimethoxybenzoyl)-2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-yl]-(3,4,5-trimethoxyphenyl)methanone (CED0303547)

Record Information
Version1.0
Creation Date2026-08-31 20:06:03 UTC
Update Date2026-08-31 20:06:03 UTC
Accession NumberCHEM349156
Identification
Common Name[12-(3,4,5-trimethoxybenzoyl)-2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-yl]-(3,4,5-trimethoxyphenyl)methanone
ClassSmall Molecule
Description
[12-(3,4,5-trimethoxybenzoyl)-2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-yl]-(3,4,5-trimethoxyphenyl)methanone is a chemical compound with the formula C34H34N2O9. With an average molecular weight of 614.60 g/mol, [12-(3,4,5-trimethoxybenzoyl)-2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-yl]-(3,4,5-trimethoxyphenyl)methanone is a heavy molecule. This substance is found in or released from two recorded sources. These sources include electrical and electronic equipment, specifically cores, yokes, or armatures, as well as food, food processing and cookware related to the preparation of malt.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC34H34N2O9
Average Molecular MassNot Available
Monoisotopic Mass614.226 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C3=CC=CC=C3OC4=CC=CC=C42)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI IdentifierInChI=1S/C34H34N2O9/c1-39-27-17-21(18-28(40-2)31(27)43-5)33(37)35-15-16-36(34(38)22-19-29(41-3)32(44-6)30(20-22)42-4)24-12-8-10-14-26(24)45-25-13-9-7-11-23(25)35/h7-14,17-20H,15-16H2,1-6H3
InChI KeyYVYIIQVQWIOHJG-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
1815.0Log mg/kg[1000:3200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEquilibrative nucleoside transporter 2O54699Rattus norvegicusPredicted (SEA)1.24559
Click to view 3D structureTubulin beta-1 chainQ9H4B7HumansPredicted (SEA)4.12601
Click to view 3D structureSubstance-K receptorP30549Mus musculusPredicted (SEA)1.24559
Substance-P receptor structureClick to view 3D structureSubstance-P receptorP25103HumansPredicted (SEA)178.742
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)274.652
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)290.845
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)701.577
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)517.697
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)332.883
Neuromedin-K receptor structureClick to view 3D structureNeuromedin-K receptorP29371HumansPredicted (SEA)152.662
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)1001.14
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)107.354
Click to view 3D structureSubstance-P receptorP30547Cavia porcellusPredicted (SEA)106.965
Click to view 3D structureD(3) dopamine receptorP19020Rattus norvegicusPredicted (SEA)164.34
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)174.694
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)506.02
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)491.54
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)347.675
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)163.016
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)491.54
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)287.886
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)171.424
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)327.434
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)289.21
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)538.172
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available