Methyl (z)-7-[(1r,3r,5s)-2-[(3s)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate (CED0291093)

Record Information

Version

1.0

Creation Date

2026-08-31 00:28:11 UTC

Update Date

2026-08-31 00:28:11 UTC

SynCED ID

CED0291093

Secondary Accession Numbers

CHEM336583

Identification

Common Name

Methyl (z)-7-[(1r,3r,5s)-2-[(3s)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate

Class

Small Molecule

Description

Methyl (z)-7-[(1r,3r,5s)-2-[(3s)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate is a chemical compound with the formula C24H38O5. It has an average molecular weight of 406.60 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₃₈O₅

Average Molecular Mass

Not Available

Monoisotopic Mass

406.272 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC(=O)CCCC=CCC1C(CC(C1C#CC(CCC2CCCCC2)O)O)O

InChI Identifier

InChI=1S/C24H38O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,7,18-23,25-27H,3-6,8-14,17H2,1H3/b7-2-/t19-,20+,21?,22-,23+/m0/s1

InChI Key

OZDSQCVLNUIYLN-OVFHROADSA-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
64.0 Log mg/kg [40:110]	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
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	Solute carrier organic anion transporter family member 2A1	Q92959	Humans	Predicted (SEA)	Prediction Confidence Score 0.366 Applicability Domain 0.41 Statistical Significance 7.00e-05 Supporting Reference Compounds 4 E-value 0.544945
Click to view 3D structure	Prostaglandin F2-alpha receptor	P37289	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.351 Applicability Domain 0.436 Statistical Significance 8.00e-05 Supporting Reference Compounds 6 E-value 0.622794
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q9EPT5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.35 Applicability Domain 0.384 Statistical Significance 1.40e-04 Supporting Reference Compounds 2 E-value 1.08989
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.384 Statistical Significance 0.002 Supporting Reference Compounds 95 E-value 15.4141
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.384 Statistical Significance 0.0026 Supporting Reference Compounds 102 E-value 20.63
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.384 Statistical Significance 0.0025 Supporting Reference Compounds 96 E-value 19.8516
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P35408	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.384 Statistical Significance 0.0031 Supporting Reference Compounds 92 E-value 23.8219
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.384 Statistical Significance 0.0018 Supporting Reference Compounds 63 E-value 14.4021
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.384 Statistical Significance 0.0042 Supporting Reference Compounds 78 E-value 33.0081
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43117	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.384 Statistical Significance 2.10e-04 Supporting Reference Compounds 10 E-value 1.63483
Click to view 3D structure	Solute carrier organic anion transporter family member 2B1	Q9JHI3	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.384 Statistical Significance 3.00e-04 Supporting Reference Compounds 2 E-value 2.33548
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43088	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.384 Statistical Significance 0.0025 Supporting Reference Compounds 50 E-value 19.4623
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.384 Statistical Significance 0.005 Supporting Reference Compounds 81 E-value 39.236
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.329 Statistical Significance 0.0044 Supporting Reference Compounds 32 E-value 34.4094
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.329 Statistical Significance 0.0047 Supporting Reference Compounds 29 E-value 36.3556
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P35375	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.329 Statistical Significance 0.0057 Supporting Reference Compounds 24 E-value 44.1405
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62053	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.329 Statistical Significance 0.0044 Supporting Reference Compounds 25 E-value 34.6429
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.286 Low confidence Statistical Significance 0.0721 Supporting Reference Compounds 175 E-value 561.059
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.286 Low confidence Statistical Significance 0.104 Supporting Reference Compounds 200 E-value 809.865
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.246 Low confidence Statistical Significance 6.90e-04 Supporting Reference Compounds 1 E-value 5.3716
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.257 Low confidence Statistical Significance 0.0293 Supporting Reference Compounds 83 E-value 227.865
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.286 Low confidence Statistical Significance 0.0754 Supporting Reference Compounds 104 E-value 586.905
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.257 Low confidence Statistical Significance 0.0194 Supporting Reference Compounds 39 E-value 151.417
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.237 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 1 E-value 15.0249
Click to view 3D structure	Cannabinoid receptor 2	Q9QZN9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.257 Low confidence Statistical Significance 0.0039 Supporting Reference Compounds 20 E-value 30.5947