[1S-(1a,2a,3aß,4a,8aß,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene (CED0157168)

Record Information

Version

1.0

Creation Date

2026-04-04 20:45:51 UTC

Update Date

2026-05-21 14:05:08 UTC

SynCED ID

CED0157168

Secondary Accession Numbers

CHEM081578

Identification

Common Name

[1S-(1a,2a,3aß,4a,8aß,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene

Class

Small Molecule

Description

[1S-(1a,2a,3aß,4a,8aß,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C15H24 and an average molecular weight of 204.36 g/mol. It is classified within the superclass of lipids and lipid-like molecules. The substance is found in or released from food, food processing, and cookware, specifically as food contact materials. Recorded routes of exposure include oral, inhalation, and touch.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₄

Average Molecular Mass

204.357 g/mol

Monoisotopic Mass

204.188 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@]12[C@@H]3C[C@@H]4[C@H]([C@@H]13)C(C)(C)CCC[C@@]24C

InChI Identifier

InChI=1/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3

InChI Key

WCEIQUQVIOGRBF-UHFFFAOYSA-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
5611.0 Log mg/kg [3200:10000]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000494	Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.	Food, food processing & cookware	Not Available
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
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	Not Available
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	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

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	Nucleoside diphosphate phosphatase ENTPD5	O75356	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0055 Supporting Reference Compounds 1 E-value 43.2063
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 2	E9PTA2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.169 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 1 E-value 26.5466
Click to view 3D structure	Ferritin heavy chain	P02794	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.57545
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.17 Low confidence Statistical Significance 0.6794 Supporting Reference Compounds 54 E-value 5288.92
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.17 Low confidence Statistical Significance 0.0556 Supporting Reference Compounds 33 E-value 432.92
Click to view 3D structure	Extended-spectrum beta-lactamase PER-6	D5HSX5	Aeromonas allosaccharophila	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.012 Supporting Reference Compounds 1 E-value 93.2634
Click to view 3D structure	ADC-14 protein	Q0VTR6	Acinetobacter genomosp. 3	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.012 Supporting Reference Compounds 1 E-value 93.2634
Click to view 3D structure	Beta-lactamase SHV-11	Q7X575	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.012 Supporting Reference Compounds 1 E-value 93.2634
Click to view 3D structure	ADC-16 protein	Q0VTR8	Acinetobacter genomosp. 3	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.012 Supporting Reference Compounds 1 E-value 93.2634
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.196 Low confidence Statistical Significance 0.9975 Supporting Reference Compounds 1538 E-value 7765.23
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.159 Low confidence Statistical Significance 0.8678 Supporting Reference Compounds 197 E-value 6755.52
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.158 Low confidence Statistical Significance 0.5348 Supporting Reference Compounds 73 E-value 4163.06
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.153 Low confidence Statistical Significance 0.9279 Supporting Reference Compounds 154 E-value 7224.02
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.196 Low confidence Statistical Significance 0.9969 Supporting Reference Compounds 1245 E-value 7760.71
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.158 Low confidence Statistical Significance 0.2484 Supporting Reference Compounds 40 E-value 1934.01
Click to view 3D structure	Cycloartenol-C-24-methyltransferase	Q9LM02	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.145 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 1 E-value 31.8403
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.159 Low confidence Statistical Significance 0.6533 Supporting Reference Compounds 49 E-value 5086.05
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.151 Low confidence Statistical Significance 0.0483 Supporting Reference Compounds 21 E-value 375.778
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.159 Low confidence Statistical Significance 0.9238 Supporting Reference Compounds 94 E-value 7191.87
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.153 Low confidence Statistical Significance 0.9514 Supporting Reference Compounds 146 E-value 7406.57
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.153 Low confidence Statistical Significance 0.9569 Supporting Reference Compounds 119 E-value 7449.08
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.158 Low confidence Statistical Significance 0.977 Supporting Reference Compounds 201 E-value 7606.26
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.158 Low confidence Statistical Significance 0.995 Supporting Reference Compounds 593 E-value 7745.76
Click to view 3D structure	Potassium-transporting ATPase alpha chain 2	P54707	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.155 Low confidence Statistical Significance 0.0055 Supporting Reference Compounds 2 E-value 42.7392
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	Q9GRG7	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.151 Low confidence Statistical Significance 0.0141 Supporting Reference Compounds 2 E-value 110.079