[2A,5a(R*)]-2,6,10,10-tetramethyl1-oxaspiro[4.5]decan-6-yl acetate (CED0089614)

Record Information

Version

1.0

Creation Date

2026-04-06 12:15:31 UTC

Update Date

2026-04-06 12:15:31 UTC

SynCED ID

CED0089614

Secondary Accession Numbers

CHEM124187

Identification

Common Name

[2A,5a(R*)]-2,6,10,10-tetramethyl1-oxaspiro[4.5]decan-6-yl acetate

Class

Small Molecule

Description

[2A,5a(R*)]-2,6,10,10-tetramethyl1-oxaspiro[4.5]decan-6-yl acetate belongs to the tetrahydrofurans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C15H26O3.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₆O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

254.188 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3/t11-,14-,15+/m1/s1

InChI Key

LTAWGWRPOGXHBD-DFBGVHRSSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2748.0 Log mg/kg [1500:4900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.239 Low confidence Statistical Significance 0.0261 Supporting Reference Compounds 73 E-value 203.576
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.239 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 40 E-value 46.6317
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.239 Low confidence Statistical Significance 0.1146 Supporting Reference Compounds 154 E-value 892.23
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 2	E9PTA2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.211 Low confidence Statistical Significance 8.40e-04 Supporting Reference Compounds 1 E-value 6.53933
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.235 Low confidence Statistical Significance 0.2039 Supporting Reference Compounds 109 E-value 1587.19
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.235 Low confidence Statistical Significance 0.6136 Supporting Reference Compounds 385 E-value 4776.59
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.235 Low confidence Statistical Significance 0.1745 Supporting Reference Compounds 98 E-value 1358.55
Click to view 3D structure	Glyceraldehyde-3-phosphate dehydrogenase	P46406	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 1 E-value 1.08989
Click to view 3D structure	Abscisic acid 8'-hydroxylase 3	Q9FH76	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.235 Low confidence Statistical Significance 0.6892 Supporting Reference Compounds 373 E-value 5365.76
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.235 Low confidence Statistical Significance 0.6024 Supporting Reference Compounds 297 E-value 4690.03
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.239 Low confidence Statistical Significance 0.401 Supporting Reference Compounds 146 E-value 3121.91
Click to view 3D structure	Hemagglutinin	P03438	Influenza A virus (strain A/X-31 H3N2)	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.3066
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.239 Low confidence Statistical Significance 0.394 Supporting Reference Compounds 119 E-value 3067.03
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.211 Low confidence Statistical Significance 0.7803 Supporting Reference Compounds 527 E-value 6074.96
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.224 Low confidence Statistical Significance 0.9576 Supporting Reference Compounds 1245 E-value 7454.92
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.239 Low confidence Statistical Significance 0.0121 Supporting Reference Compounds 33 E-value 94.1976
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.205 Low confidence Statistical Significance 0.7579 Supporting Reference Compounds 427 E-value 5900.27
Click to view 3D structure	Nucleoside diphosphate phosphatase ENTPD5	O75356	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 1 E-value 31.9182
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.211 Low confidence Statistical Significance 0.8574 Supporting Reference Compounds 562 E-value 6674.87
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.205 Low confidence Statistical Significance 0.8716 Supporting Reference Compounds 532 E-value 6785.65
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.205 Low confidence Statistical Significance 0.4591 Supporting Reference Compounds 229 E-value 3574.06
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.9806 Supporting Reference Compounds 1538 E-value 7633.58
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.221 Low confidence Statistical Significance 0.9615 Supporting Reference Compounds 825 E-value 7484.97
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.239 Low confidence Statistical Significance 0.3679 Supporting Reference Compounds 74 E-value 2864.0