4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (4E)- (CED0183234)

Record Information

Version

1.0

Creation Date

2026-04-05 16:48:43 UTC

Update Date

2026-04-17 16:12:22 UTC

SynCED ID

CED0183234

Secondary Accession Numbers

CHEM104673

Identification

Common Name

4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (4E)-

Class

Small Molecule

Description

4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (4E)- belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C15H26O and an average molecular weight of 222.37 g/mol. It has been identified in one recorded source: drinking water and water supply (drinking water). The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₆O

Average Molecular Mass

222.372 g/mol

Monoisotopic Mass

222.198 g/mol

CAS Registry Number

244626-73-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(O)C(C)(C)\C=C\C1CC=C(C)C1(C)C

InChI Identifier

InChI=1/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/b10-9+

InChI Key

QZFSNJAQFWEXEA-MDZDMXLPSA-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

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
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
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	Not Available
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	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
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
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	Not Available
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	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	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
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	Not Available
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	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
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	Not Available
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	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 4 catalytic subunit	P60510	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.197 Low confidence Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Oxysterol-binding protein 1	P22059	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.206 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 9 E-value 27.2472
Click to view 3D structure	Oxysterol-binding protein 2	Q969R2	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.206 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 7 E-value 27.4029
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.203 Low confidence Statistical Significance 0.35 Supporting Reference Compounds 76 E-value 2724.96
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.203 Low confidence Statistical Significance 0.4963 Supporting Reference Compounds 102 E-value 3863.89
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.211 Low confidence Statistical Significance 0.8636 Supporting Reference Compounds 308 E-value 6723.14
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.211 Low confidence Statistical Significance 0.4902 Supporting Reference Compounds 77 E-value 3816.56
Click to view 3D structure	NPC1-like intracellular cholesterol transporter 1	Q9UHC9	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.2 Low confidence Statistical Significance 0.0067 Supporting Reference Compounds 13 E-value 52.3147
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.211 Low confidence Statistical Significance 0.9026 Supporting Reference Compounds 373 E-value 7026.36
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.182 Low confidence Statistical Significance 0.8601 Supporting Reference Compounds 175 E-value 6695.5
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.186 Low confidence Statistical Significance 0.5218 Supporting Reference Compounds 83 E-value 4062.41
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.186 Low confidence Statistical Significance 0.89 Supporting Reference Compounds 200 E-value 6928.5
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.19 Low confidence Statistical Significance 0.7806 Supporting Reference Compounds 146 E-value 6077.14
Click to view 3D structure	Alpha-crystallin B chain	P02511	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.2 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 3 E-value 24.3668
Click to view 3D structure	Eukaryotic elongation factor 2 kinase	P70531	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0107 Supporting Reference Compounds 1 E-value 83.2208
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.19 Low confidence Statistical Significance 0.8562 Supporting Reference Compounds 201 E-value 6665.68
Click to view 3D structure	Peptidase 1	P08176	Dermatophagoides pteronyssinus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.169 Low confidence Statistical Significance 0.1188 Supporting Reference Compounds 2 E-value 924.693
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.183 Low confidence Statistical Significance 0.9699 Supporting Reference Compounds 562 E-value 7550.52
Click to view 3D structure	G-protein coupled receptor 183	D4A7K7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.167 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 2 E-value 41.1822
Click to view 3D structure	Nuclear hormone receptor isoform A	A0A0K0EQJ4	Strongyloides stercoralis	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.162 Low confidence Statistical Significance 0.0102 Supporting Reference Compounds 1 E-value 79.6398
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.183 Low confidence Statistical Significance 0.9773 Supporting Reference Compounds 506 E-value 7608.59
Click to view 3D structure	C-C chemokine receptor type 5	P51681	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.169 Low confidence Statistical Significance 0.7863 Supporting Reference Compounds 71 E-value 6121.52
Click to view 3D structure	Ecdysone receptor	P34021	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.164 Low confidence Statistical Significance 0.0058 Supporting Reference Compounds 2 E-value 45.3861
Click to view 3D structure	Phospholipase A2, membrane associated	P14555	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.174 Low confidence Statistical Significance 0.583 Supporting Reference Compounds 49 E-value 4538.45
Click to view 3D structure	L-lactate dehydrogenase B chain	P16125	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.161 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 1 E-value 40.793