Methyl (5e)-2,6,10-trimethylundeca-5,9-dienoate (CED0250324)

Record Information

Version

1.0

Creation Date

2026-08-28 15:24:37 UTC

Update Date

2026-08-28 15:24:37 UTC

SynCED ID

CED0250324

Secondary Accession Numbers

CHEM294898

Identification

Common Name

Methyl (5e)-2,6,10-trimethylundeca-5,9-dienoate

Class

Small Molecule

Description

Methyl (5e)-2,6,10-trimethylundeca-5,9-dienoate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the chemical 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

Not Available

Monoisotopic Mass

238.193 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(CCC=C(C)CCC=C(C)C)C(=O)OC

InChI Identifier

InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(16)17-5/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+

InChI Key

SCYKTOMXCGXHLC-JLHYYAGUSA-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
6208.0 Log mg/kg [3500:11000]	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
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

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	Protein-S-isoprenylcysteine O-methyltransferase	P32584	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.429 Applicability Domain 0.429 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Protein-S-isoprenylcysteine O-methyltransferase	Q9WVM4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.407 Applicability Domain 0.462 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Squalene epoxidase	A7L861	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.399 Applicability Domain 0.421 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Lanosterol synthase	Q04782	Yeast	Predicted (SEA)	Prediction Confidence Score 0.385 Applicability Domain 0.385 Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Squalene synthase ERG9	P29704	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.375 Applicability Domain 0.375 Statistical Significance 7.00e-05 Supporting Reference Compounds 1 E-value 0.544945
Click to view 3D structure	Macrophage scavenger receptor types I and II	P21757	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.3 Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.353 Statistical Significance 0.0021 Supporting Reference Compounds 56 E-value 16.504
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 8	Q8R455	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.353 Statistical Significance 7.40e-04 Supporting Reference Compounds 23 E-value 5.76084
Click to view 3D structure	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	P29703	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.292 Low confidence Statistical Significance 1.00e-04 Supporting Reference Compounds 1 E-value 0.778492
Click to view 3D structure	Inhibin alpha chain	P05111	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.283 Low confidence Statistical Significance 4.20e-04 Supporting Reference Compounds 1 E-value 3.26967
Click to view 3D structure	Cytochrome P450 2B4	P00178	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.279 Low confidence Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.34 Statistical Significance 0.0309 Supporting Reference Compounds 197 E-value 240.243
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.267 Low confidence Statistical Significance 3.70e-04 Supporting Reference Compounds 1 E-value 2.88042
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.353 Statistical Significance 0.0266 Supporting Reference Compounds 104 E-value 207.001
Click to view 3D structure	Lanosterol synthase	P48449	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.385 Statistical Significance 6.20e-04 Supporting Reference Compounds 10 E-value 4.82665
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.34 Statistical Significance 0.0773 Supporting Reference Compounds 182 E-value 602.008
Click to view 3D structure	Beta-secretase 1	P56817	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.34 Statistical Significance 0.1033 Supporting Reference Compounds 163 E-value 804.338
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.34 Statistical Significance 0.1422 Supporting Reference Compounds 201 E-value 1106.7
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.302 Statistical Significance 0.1516 Supporting Reference Compounds 175 E-value 1179.96
Click to view 3D structure	Prostaglandin E synthase	O14684	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.34 Statistical Significance 0.0448 Supporting Reference Compounds 69 E-value 349.154
Click to view 3D structure	Lanosterol synthase	P48450	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.385 Statistical Significance 7.00e-05 Supporting Reference Compounds 7 E-value 0.544945
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.353 Statistical Significance 0.0263 Supporting Reference Compounds 70 E-value 204.588
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.302 Statistical Significance 0.1904 Supporting Reference Compounds 200 E-value 1482.09
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.283 Low confidence Statistical Significance 0.3755 Supporting Reference Compounds 506 E-value 2922.93
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.283 Low confidence Statistical Significance 0.0678 Supporting Reference Compounds 83 E-value 527.896