(4r,4ar,7as,12bs)-9-methoxy-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinoline (CED0259163)

Record Information
Version1.0
Creation Date2026-08-29 02:28:37 UTC
Update Date2026-08-29 02:28:37 UTC
Accession NumberCHEM304027
Identification
Common Name(4r,4ar,7as,12bs)-9-methoxy-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinoline
ClassSmall Molecule
Description
(4r,4ar,7as,12bs)-9-methoxy-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinoline belongs to the morphinans, a class of alkaloids and derivatives within the organic compounds. This compound has the formula C17H21NO2 and an average molecular weight of 271.35 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC17H21NO2
Average Molecular MassNot Available
Monoisotopic Mass271.157 g/mol
CAS Registry Number55256-27-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C2C3=C(CC4C5C3(CCN4)C(O2)CCC5)C=C1
InChI IdentifierInChI=1S/C17H21NO2/c1-19-13-6-5-10-9-12-11-3-2-4-14-17(11,7-8-18-12)15(10)16(13)20-14/h5-6,11-12,14,18H,2-4,7-9H2,1H3/t11-,12+,14-,17+/m0/s1
InChI KeySJOYTXXOWVAFDO-GMIGKAJZSA-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
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)287.575
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)332.572
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)293.258
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)493.798
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)384.186
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)226.619
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)235.338
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)336.153
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)371.73
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)428.949
Click to view 3D structureAcetylcholinesteraseP04058Torpedo californicaPredicted (SEA)49.6678
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)950.228
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)377.413
Click to view 3D structureCdc42 proteinQ9DDV6Xenopus laevisPredicted (SEA)0.0778492
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)474.725
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)722.052
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)278.0
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)342.069
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)408.475
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)5602.03
Nociceptin receptor structureClick to view 3D structureNociceptin receptorP41146HumansPredicted (SEA)572.192
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)2296.01
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)1425.34
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)2328.7
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)824.968
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available