(1'r,3's,6's)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane] (CED0097683)

Record Information

Version

1.0

Creation Date

2026-08-19 12:50:45 UTC

Update Date

2026-08-19 12:50:45 UTC

SynCED ID

CED0097683

Secondary Accession Numbers

CHEM186412

Identification

Common Name

(1'r,3's,6's)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]

Class

Small Molecule

Description

(1'r,3's,6's)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane] belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the formula C15H26O2 and an average molecular weight of 238.37 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₆O₂

Average Molecular Mass

238.370 g/mol

Monoisotopic Mass

238.193 g/mol

CAS Registry Number

121251-67-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H26O2/c1-10-6-7-11-12(13(11,2)3)15(10)8-16-14(4,5)17-9-15/h10-12H,6-9H2,1-5H3/t10-,11-,12+/m0/s1

InChI Key

ORHSGDMSYGKJJY-SDDRHHMPSA-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
5196.0 Log mg/kg [2900:9200]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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	Not Available
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	Not Available
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	Not Available
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	Not Available
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	Not Available
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	Not Available

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	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 5.90e-04 Supporting Reference Compounds 1 E-value 4.5931
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.182 Low confidence Statistical Significance 0.5567 Supporting Reference Compounds 54 E-value 4334.18
Click to view 3D structure	Eukaryotic initiation factor 4A-I	P60843	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 2 E-value 13.0787
Click to view 3D structure	4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5	Q11128	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.3965
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.175 Low confidence Statistical Significance 0.7776 Supporting Reference Compounds 197 E-value 6053.63
Click to view 3D structure	Ferritin heavy chain	P02794	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.16 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.7255
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.182 Low confidence Statistical Significance 0.4509 Supporting Reference Compounds 49 E-value 3510.14
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.17 Low confidence Statistical Significance 0.0465 Supporting Reference Compounds 33 E-value 362.077
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.17 Low confidence Statistical Significance 0.4307 Supporting Reference Compounds 73 E-value 3352.73
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.164 Low confidence Statistical Significance 0.9819 Supporting Reference Compounds 562 E-value 7643.86
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.17 Low confidence Statistical Significance 0.0284 Supporting Reference Compounds 21 E-value 221.014
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.164 Low confidence Statistical Significance 0.982 Supporting Reference Compounds 308 E-value 7644.79
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.164 Low confidence Statistical Significance 0.9924 Supporting Reference Compounds 686 E-value 7725.91
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.17 Low confidence Statistical Significance 0.9294 Supporting Reference Compounds 146 E-value 7235.07
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.17 Low confidence Statistical Significance 0.2415 Supporting Reference Compounds 40 E-value 1880.14
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 2	P31213	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.164 Low confidence Statistical Significance 0.2792 Supporting Reference Compounds 19 E-value 2173.39
Click to view 3D structure	Androgen receptor	P19091	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.17 Low confidence Statistical Significance 0.3012 Supporting Reference Compounds 19 E-value 2345.13
Click to view 3D structure	Spermidine synthase	Q6QA75	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.147 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.5875
Click to view 3D structure	Spermidine synthase	Q4CXJ6	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.147 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.5875
Click to view 3D structure	Spermidine synthase	Q9NFS5	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.147 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.5875
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.9397 Supporting Reference Compounds 154 E-value 7315.18
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.8852 Supporting Reference Compounds 74 E-value 6891.6
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.185 Low confidence Statistical Significance 0.9983 Supporting Reference Compounds 1538 E-value 7771.61
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.17 Low confidence Statistical Significance 0.9165 Supporting Reference Compounds 127 E-value 7134.65
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.156 Low confidence Statistical Significance 0.9282 Supporting Reference Compounds 94 E-value 7225.81