3-(But-3-en-1-yl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one (Tetrahydrorhombifoline) (CED0191342)

Record Information
Version1.0
Creation Date2026-04-06 01:46:22 UTC
Update Date2026-05-21 01:20:19 UTC
SynCED IDCED0191342
Secondary Accession Numbers
  • CHEM114418
Identification
Common Name3-(But-3-en-1-yl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one (Tetrahydrorhombifoline)
ClassSmall Molecule
Description
3-(But-3-en-1-yl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one (Tetrahydrorhombifoline) belongs to the quinolizidinones, a subclass of quinolizidines within the organic compounds. This organoheterocyclic compound has the chemical formula C15H24N2O and an average molecular weight of 248.37 g/mol. The compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. In the healthcare, pharmaceuticals and veterinary products sector, it is linked to medical devices, while in the food, food processing and cookware sector, it is associated with food packaging. Additionally, the compound is found in lubricants used in both energy, oil and gas, as well as industrial manufacturing and chemical processing. It is also present in one other sector. Recorded exposure routes for this substance include inhalation, oral, and touch.
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
SynonymsNot Available
Chemical FormulaC15H24N2O
Average Molecular Mass248.370 g/mol
Monoisotopic Mass248.189 g/mol
CAS Registry Number3382-84-1
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H]C12CN(CCC=C)CC([H])(C1)[C@@]1([H])CCCC(=O)N1C2
InChI IdentifierInChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12?,13?,14-/m1/s1
InChI KeyOKTIETCHYDTVGN-JXQTWKCFSA-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
682.0 Log mg/kg [380:1200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePeptidyl-prolyl cis-trans isomerase MipQ9Z7P3Chlamydia pneumoniaePredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.218 Low confidence
Statistical Significance
6.30e-04
Supporting Reference Compounds
1
E-value
4.9045
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.226 Low confidence
Statistical Significance
0.649
Supporting Reference Compounds
385
E-value
5052.1
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.226 Low confidence
Statistical Significance
0.6343
Supporting Reference Compounds
373
E-value
4938.21
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.226 Low confidence
Statistical Significance
0.5438
Supporting Reference Compounds
297
E-value
4233.75
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.208 Low confidence
Statistical Significance
0.8253
Supporting Reference Compounds
1103
E-value
6425.13
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.205 Low confidence
Statistical Significance
0.7019
Supporting Reference Compounds
524
E-value
5464.47
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.208 Low confidence
Statistical Significance
0.8105
Supporting Reference Compounds
861
E-value
6309.76
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.205 Low confidence
Statistical Significance
0.8377
Supporting Reference Compounds
953
E-value
6521.51
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.226 Low confidence
Statistical Significance
0.614
Supporting Reference Compounds
266
E-value
4779.79
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.226 Low confidence
Statistical Significance
0.6639
Supporting Reference Compounds
310
E-value
5168.25
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.205 Low confidence
Statistical Significance
0.6774
Supporting Reference Compounds
528
E-value
5273.27
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.226 Low confidence
Statistical Significance
0.3868
Supporting Reference Compounds
109
E-value
3011.21
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.205 Low confidence
Statistical Significance
0.8876
Supporting Reference Compounds
955
E-value
6910.29
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.226 Low confidence
Statistical Significance
0.2807
Supporting Reference Compounds
98
E-value
2185.23
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.227 Low confidence
Statistical Significance
0.9666
Supporting Reference Compounds
1498
E-value
7524.98
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.242 Low confidence
Statistical Significance
0.7451
Supporting Reference Compounds
294
E-value
5800.31
Sodium- and chloride-dependent GABA transporter 1 structureClick to view 3D structureSodium- and chloride-dependent GABA transporter 1P30531HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.197 Low confidence
Statistical Significance
0.0347
Supporting Reference Compounds
8
E-value
270.526
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.203 Low confidence
Statistical Significance
0.8735
Supporting Reference Compounds
562
E-value
6799.82
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.197 Low confidence
Statistical Significance
0.8243
Supporting Reference Compounds
541
E-value
6417.27
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.19 Low confidence
Statistical Significance
0.7815
Supporting Reference Compounds
298
E-value
6084.15
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.188 Low confidence
Statistical Significance
0.502
Supporting Reference Compounds
203
E-value
3907.8
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.194 Low confidence
Statistical Significance
0.5312
Supporting Reference Compounds
207
E-value
4135.43
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.188 Low confidence
Statistical Significance
0.6871
Supporting Reference Compounds
297
E-value
5349.1
Click to view 3D structure5-hydroxytryptamine receptor 3BO95264HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.227 Low confidence
Statistical Significance
0.0206
Supporting Reference Compounds
2
E-value
160.292
Click to view 3D structureProstaglandin E2 receptor EP4 subtypeP43114Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.197 Low confidence
Statistical Significance
0.1498
Supporting Reference Compounds
16
E-value
1166.18
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available