[(1r,3r,5s,9r,18s)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate (CED0122406)

Record Information

Version

1.0

Creation Date

2026-08-22 00:24:05 UTC

Update Date

2026-08-22 00:24:05 UTC

SynCED ID

CED0122406

Secondary Accession Numbers

CHEM207201

Identification

Common Name

[(1r,3r,5s,9r,18s)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

Class

Small Molecule

Description

[(1r,3r,5s,9r,18s)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate belongs to the oxasteroids and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C23H24O8 and an average molecular weight of 428.40 g/mol. It is categorized within the superclass of lipids and lipid-like molecules. Biologically, the compound functions as an inhibitor (PMC6210295 ) and specifically acts as an autophagy inhibitor (PMC11140113 , PMC4805177 ). Recorded sources for this substance include electrical and electronic equipment, specifically television systems and amplifiers.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₃H₂₄O₈

Average Molecular Mass

428.400 g/mol

Monoisotopic Mass

428.147 g/mol

CAS Registry Number

19545-26-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1

InChI Key

QDLHCMPXEPAAMD-QAIWCSMKSA-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

EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (PMC6214771 , PMC3254817 )?
inhibitor (PMC6210295 , PMC7791670 )?
autophagy inhibitor (PMC11140113 , PMC4805177 )?

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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-1107900000-4dd5c70d295b08c26575	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02tj-0009200000-b8aa01f046ce98266c4e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01oy-9248000000-7f9188f58ef5f64f581b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-2009800000-bc11633a0e37de785a8f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0553-3009300000-effc4d0fca1af2f2a30f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9006000000-78a1a7a391528317d763	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, H₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, H₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
39.0 Log mg/kg [20:70]	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
Cell Death	Associated With?	increase	Not Available	PMC5936715

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
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	PubChem
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	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
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	PubChem
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	PubChem
CEDs000592	Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.	Marine, shipping & aquaculture	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	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
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
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	PubChem
CEDs000697	Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.	Marine, shipping & aquaculture	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.538 Applicability Domain 1.0 Statistical Significance 0.0019 Supporting Reference Compounds 536 E-value 14.7914
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 1.0 Statistical Significance 0.0041 Supporting Reference Compounds 403 E-value 32.0739
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	Prediction Confidence Score 0.46 Applicability Domain 1.0 Statistical Significance 0.0046 Supporting Reference Compounds 459 E-value 35.6549
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.46 Applicability Domain 1.0 Statistical Significance 0.0042 Supporting Reference Compounds 450 E-value 32.9302
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	Prediction Confidence Score 0.46 Applicability Domain 1.0 Statistical Significance 0.0033 Supporting Reference Compounds 372 E-value 25.9238
Click to view 3D structure	Serine/threonine-protein kinase PLK1	P53350	Humans	Predicted (SEA)	Prediction Confidence Score 0.388 Applicability Domain 1.0 Statistical Significance 0.0153 Supporting Reference Compounds 705 E-value 119.499
Click to view 3D structure	Myosin light chain kinase, smooth muscle	Q15746	Humans	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 1.0 Statistical Significance 0.0082 Supporting Reference Compounds 122 E-value 63.6807
Click to view 3D structure	Myosin light chain kinase, smooth muscle	P11799	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 1.0 Statistical Significance 0.0038 Supporting Reference Compounds 47 E-value 29.6606
Click to view 3D structure	Serine/threonine-protein kinase PLK3	Q9H4B4	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 1.0 Statistical Significance 0.0422 Supporting Reference Compounds 561 E-value 328.368
Click to view 3D structure	Phosphatidylinositol 4-kinase beta	Q9UBF8	Humans	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 1.0 Statistical Significance 0.0141 Supporting Reference Compounds 184 E-value 109.767
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P78527	Humans	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 1.0 Statistical Significance 0.0117 Supporting Reference Compounds 219 E-value 91.4728
Click to view 3D structure	Phosphatidylinositol 3-kinase catalytic subunit type 3	Q8NEB9	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 1.0 Statistical Significance 0.0052 Supporting Reference Compounds 95 E-value 40.5594
Click to view 3D structure	Phosphatidylinositol 4-kinase alpha	P42356	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 1.0 Statistical Significance 0.0014 Supporting Reference Compounds 35 E-value 10.7432
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42346	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 1.0 Statistical Significance 0.001 Supporting Reference Compounds 8 E-value 7.94062
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.424 Statistical Significance 0.2712 Supporting Reference Compounds 1660 E-value 2111.19
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.424 Statistical Significance 0.1953 Supporting Reference Compounds 798 E-value 1520.32
Click to view 3D structure	Dual specificity mitogen-activated protein kinase kinase 1	Q02750	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.424 Statistical Significance 0.1144 Supporting Reference Compounds 391 E-value 890.362
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.424 Statistical Significance 0.2719 Supporting Reference Compounds 1301 E-value 2116.72
Click to view 3D structure	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.424 Statistical Significance 0.1243 Supporting Reference Compounds 389 E-value 967.744
Click to view 3D structure	Serine/threonine-protein kinase SIK3	Q9Y2K2	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.573 Statistical Significance 0.0878 Supporting Reference Compounds 119 E-value 683.75
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.349 Statistical Significance 0.5468 Supporting Reference Compounds 996 E-value 4257.03
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.263 Low confidence Statistical Significance 0.3843 Supporting Reference Compounds 532 E-value 2991.51
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit gamma	P22612	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.573 Statistical Significance 0.0033 Supporting Reference Compounds 14 E-value 25.9238
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.263 Low confidence Statistical Significance 0.1608 Supporting Reference Compounds 229 E-value 1252.13
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.263 Low confidence Statistical Significance 0.3643 Supporting Reference Compounds 427 E-value 2836.2
Click to view 3D structure	Mitogen-activated protein kinase	A3FQ79	Cryptosporidium parvum (strain Iowa II)	Known	Not Available