(4r,4as,7as,12bs)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol (CED0264650)

Record Information
Version1.0
Creation Date2026-08-29 10:36:30 UTC
Update Date2026-08-29 10:36:30 UTC
Accession NumberCHEM309643
Identification
Common Name(4r,4as,7as,12bs)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
ClassSmall Molecule
Description
(4r,4as,7as,12bs)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol is a chemical compound with the formula C18H23NO3. It has an average molecular weight of 301.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H23NO3
Average Molecular MassNot Available
Monoisotopic Mass301.168 g/mol
CAS Registry Number7387-55-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN1CCC23C4CCCC2(C1CC5=C3C(=C(C=C5)OC)O4)O
InChI IdentifierInChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,20)13(19)10-11-5-6-12(21-2)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1
InChI KeyRTSADQCTRAIWTC-LTCOOKNTSA-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
274.0Log mg/kg[150:490]RatLD50oralpredictedNot 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
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)65.3933
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)46.2424
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)55.8179
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)66.1718
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)80.2626
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)20.4743
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)38.6911
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)85.4784
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)102.372
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)120.121
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)51.1469
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)261.496
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)160.292
Click to view 3D structureMu-type opioid receptorP79350Bos taurusPredicted (SEA)12.2223
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)138.727
Nociceptin receptor structureClick to view 3D structureNociceptin receptorP41146HumansPredicted (SEA)116.93
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)92.3292
Orexin/Hypocretin receptor type 1 structureClick to view 3D structureOrexin/Hypocretin receptor type 1O43613HumansPredicted (SEA)33.1638
Click to view 3D structureAcetylcholinesteraseP04058Torpedo californicaPredicted (SEA)22.5763
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)123.702
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)666.234
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)176.951
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)117.552
Mas-related G-protein coupled receptor member X2 structureClick to view 3D structureMas-related G-protein coupled receptor member X2Q96LB1HumansPredicted (SEA)139.895
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)879.774
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available