(2-methyl-5-prop-2-ynylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CED0177776)

Record Information

Version

1.0

Creation Date

2026-08-20 03:53:37 UTC

Update Date

2026-08-20 03:53:37 UTC

SynCED ID

CED0177776

Secondary Accession Numbers

CHEM199382

Identification

Common Name

(2-methyl-5-prop-2-ynylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Class

Small Molecule

Description

(2-methyl-5-prop-2-ynylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C19H24O3 and an average molecular weight of 300.40 g/mol. It is found in or released from one recorded source: food, food processing & cookware, specifically in the preparation of malt.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₄O₃

Average Molecular Mass

300.400 g/mol

Monoisotopic Mass

300.173 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C19H24O3/c1-7-8-15-10-14(13(4)22-15)11-21-18(20)17-16(9-12(2)3)19(17,5)6/h1,9-10,16-17H,8,11H2,2-6H3

InChI Key

WXBHKHTWAPLUSQ-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
2477.0 Log mg/kg [1400:4400]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	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
CEDs000547	Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.	Food, food processing & cookware	PubChem
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	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
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	PubChem
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	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
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	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	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
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000667	Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.	Fire suppression systems & agents	PubChem
CEDs000673	Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.	Aviation & Aerospace	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	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	3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.205 Low confidence Statistical Significance 0.5751 Supporting Reference Compounds 170 E-value 4476.88
Click to view 3D structure	Protein disulfide-isomerase	P05307	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 0.0162 Supporting Reference Compounds 1 E-value 125.882
Click to view 3D structure	Gonadotropin-releasing hormone receptor	Q01776	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 0.0544 Supporting Reference Compounds 1 E-value 423.5
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.203 Low confidence Statistical Significance 0.5624 Supporting Reference Compounds 242 E-value 4378.55
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.203 Low confidence Statistical Significance 0.6306 Supporting Reference Compounds 332 E-value 4909.17
Click to view 3D structure	Sialidase	P10481	Clostridium perfringens	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.2 Low confidence Statistical Significance 0.0129 Supporting Reference Compounds 22 E-value 100.581
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.203 Low confidence Statistical Significance 0.677 Supporting Reference Compounds 407 E-value 5270.55
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.203 Low confidence Statistical Significance 0.5059 Supporting Reference Compounds 193 E-value 3938.55
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.197 Low confidence Statistical Significance 0.6355 Supporting Reference Compounds 201 E-value 4947.47
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.2 Low confidence Statistical Significance 0.4621 Supporting Reference Compounds 197 E-value 3597.72
Click to view 3D structure	cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.205 Low confidence Statistical Significance 0.69 Supporting Reference Compounds 183 E-value 5371.91
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.203 Low confidence Statistical Significance 0.7448 Supporting Reference Compounds 472 E-value 5798.6
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.203 Low confidence Statistical Significance 0.6918 Supporting Reference Compounds 372 E-value 5385.84
Click to view 3D structure	Pyridoxine-5'-phosphate oxidase	Q9NVS9	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.183 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.6236
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.195 Low confidence Statistical Significance 0.6372 Supporting Reference Compounds 182 E-value 4960.63
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.2 Low confidence Statistical Significance 0.6054 Supporting Reference Compounds 117 E-value 4713.15
Click to view 3D structure	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.205 Low confidence Statistical Significance 0.636 Supporting Reference Compounds 146 E-value 4951.6
Click to view 3D structure	cGMP-dependent 3',5'-cyclic phosphodiesterase	O00408	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.205 Low confidence Statistical Significance 0.6116 Supporting Reference Compounds 119 E-value 4761.18
Click to view 3D structure	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.205 Low confidence Statistical Significance 0.5135 Supporting Reference Compounds 96 E-value 3997.48
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.2 Low confidence Statistical Significance 0.3411 Supporting Reference Compounds 84 E-value 2655.13
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.194 Low confidence Statistical Significance 0.7185 Supporting Reference Compounds 226 E-value 5593.78
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.194 Low confidence Statistical Significance 0.7194 Supporting Reference Compounds 227 E-value 5600.63
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.194 Low confidence Statistical Significance 0.9839 Supporting Reference Compounds 1538 E-value 7659.9
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.195 Low confidence Statistical Significance 0.8322 Supporting Reference Compounds 425 E-value 6478.53
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.185 Low confidence Statistical Significance 0.8552 Supporting Reference Compounds 406 E-value 6657.43