(1r,12r)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene (CED0256756)

Record Information
Version1.0
Creation Date2026-08-28 23:15:50 UTC
Update Date2026-08-28 23:15:50 UTC
Accession NumberCHEM301565
Identification
Common Name(1r,12r)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
ClassSmall Molecule
Description
(1r,12r)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene belongs to the furanoisoflavonoids, a subclass of isoflavonoids within the organic compounds. This compound has the formula C17H14O5 and an average molecular weight of 298.29 g/mol. It is classified under the superclass of phenylpropanoids and polyketides. The substance is found in or released from one recorded source: food, food processing & cookware, specifically the preparation of wine or sparkling wine.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC17H14O5
Average Molecular MassNot Available
Monoisotopic Mass298.084 g/mol
CAS Registry Number524-97-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5
InChI IdentifierInChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6,12,17H,7-8H2,1H3/t12-,17-/m0/s1
InChI KeyYLZYAUCOYZKLMA-SJCJKPOMSA-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
1575.0Log mg/kg[890:2800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)428.093
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)111.169
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)490.528
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)397.109
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)343.704
Click to view 3D structureEndothelin-1 receptorP26684Rattus norvegicusPredicted (SEA)74.8131
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)1068.4
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)1319.93
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)911.381
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)337.009
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)744.316
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)488.348
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)874.247
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)1029.4
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)913.483
Click to view 3D structureEndothelin receptor type BP48302Mus musculusPredicted (SEA)7.23998
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)735.442
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)348.375
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)1003.94
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)986.116
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)1183.07
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)71.6213
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)184.036
Click to view 3D structureAlpha-1B adrenergic receptorP15823Rattus norvegicusPredicted (SEA)311.319
Click to view 3D structureRegulatory protein E2P03118Human papillomavirus type 1aPredicted (SEA)1.32344
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available