(1s,2r,3s,5s,6r,7s,8r)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene (CED0231711)

Record Information

Version

1.0

Creation Date

2026-08-26 19:35:30 UTC

Update Date

2026-08-26 19:35:30 UTC

SynCED ID

CED0231711

Secondary Accession Numbers

CHEM275552

Identification

Common Name

(1s,2r,3s,5s,6r,7s,8r)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene

Class

Small Molecule

Description

(1s,2r,3s,5s,6r,7s,8r)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene belongs to the oxanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C10H5Cl7O and an average molecular weight of 389.30 g/mol. In industrial applications, it is used as a pesticide (PMC7614514 ) and an organochlorine pesticide (PMC3889157 ). Biologically, it acts as a neurotoxin (PMC13323765 ). Regarding health effects, levels of this compound are elevated in the blood in cases of cancer (PMC6283632 ).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₅Cl₇O

Average Molecular Mass

Not Available

Monoisotopic Mass

385.816 g/mol

CAS Registry Number

1024-57-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl

InChI Identifier

InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8+,9-/m0/s1

InChI Key

ZXFXBSWRVIQKOD-UOFFAGTMSA-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

metabolite (PMC3830878 )?A chemical produced during metabolism process, as an intermediate or end-product
neurotoxin (PMC13323765 )?A chemical substance that interferes with the normal functioning of the nervous system
pesticide (PMC4159143 )?

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
37.0 Log mg/kg [20:66]	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
hypertension	Associated With?	Not Available	A disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)	PMC3396318
cancer	Elevated in Blood In	Not Available	Cancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.	PMC6283632
type 2 diabetes mellitus	Associated With?	Not Available	Not Available	PMC10857773 , PMC3396318
diabetes mellitus	Associated With?	Not Available	A glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)	PMC8282629 , PMC8282629
Premature birth	Associated With?	Not Available	Not Available	PMC3889157
Wound Healing	Associated With?	Not Available	Not Available	PMC9638309

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000013	Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.	Agriculture & land management	PMC3889157 , PMC7056722
CEDs000051	Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.	Aquatic systems & sediments	PMC9979150 , PMC8718386
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	PMC10048192 , PMC9979150
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
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
CEDs00898	Forest Soil	Agriculture & land management	PMC4159143
CEDs01144	Food	Food, food processing & cookware	PMC2873978
CEDs01148	Milk	Food, food processing & cookware	PMC11016626
CEDs01153	Breast Milk	Food, food processing & cookware	PMC2873978 , PMC6517872
CEDs01165	Tea Samples	Food, food processing & cookware	PMC8340115 , PMC8340115
CEDs01198	Honey	Food, food processing & cookware	PMC10884052 , PMC12640347
CEDs01199	Honey Samples	Food, food processing & cookware	PMC10884052
CEDs02255	Water	Aquatic systems & sediments	PMC6821668
CEDs02264	Sediment	Aquatic systems & sediments	PMC13323765 , PMC13323765
CEDs02266	River Samples	Aquatic systems & sediments	PMC6332968
CEDs02268	Water Samples	Aquatic systems & sediments	PMC6864361 , PMC8822143
CEDs02276	Aquatic Environment	Aquatic systems & sediments	PMC11200344
CEDs02308	Surface Water Samples	Aquatic systems & sediments	PMC9233415
CEDs02589	Air	Air, dust & atmospheric transport	PMC12510019 , PMC7931808
CEDs02654	Air Particles	Air, dust & atmospheric transport	PMC11479090
CEDs02957	Natural Gas	Energy, oil & gas	PMC7321373 , PMC8703552

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	histidine kinase	O32393	Arthrospira platensis	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	GABA receptor subunit	Q75NA5	Musca domestica	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.324 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-3	P28472	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.324 Statistical Significance 0.005 Supporting Reference Compounds 3 E-value 38.7689
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.0207 Supporting Reference Compounds 1 E-value 161.07
Click to view 3D structure	Bile salt-activated lipase	P19835	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.122 Low confidence Statistical Significance 0.1789 Supporting Reference Compounds 1 E-value 1392.49
Click to view 3D structure	WD repeat-containing protein 91	A4D1P6	Humans	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.113 Low confidence Statistical Significance 0.5173 Supporting Reference Compounds 1 E-value 4027.53
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.125 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 1498 E-value 7782.9
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.125 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 506 E-value 7782.82
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.125 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 1130 E-value 7783.29
Click to view 3D structure	Signal transduction protein TRAP	Q7A2Q4	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	Prediction Confidence Score 0.109 Applicability Domain 0.109 Low confidence Statistical Significance 0.6122 Supporting Reference Compounds 1 E-value 4766.01
Click to view 3D structure	Galactocerebrosidase	P54818	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.109 Applicability Domain 0.109 Low confidence Statistical Significance 0.0406 Supporting Reference Compounds 1 E-value 315.912
Click to view 3D structure	DNA ligase A	P9WNV1	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.108 Low confidence Statistical Significance 0.5709 Supporting Reference Compounds 1 E-value 4444.57
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	P35235	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.108 Low confidence Statistical Significance 0.6255 Supporting Reference Compounds 1 E-value 4869.78
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.125 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 1538 E-value 7783.6
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.125 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 451 E-value 7782.82
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.125 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 593 E-value 7781.96
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.114 Low confidence Statistical Significance 0.9994 Supporting Reference Compounds 302 E-value 7779.94
Click to view 3D structure	Adenosine receptor A1	P28190	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.114 Low confidence Statistical Significance 0.993 Supporting Reference Compounds 72 E-value 7730.82
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.114 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 1245 E-value 7783.44
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.114 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 303 E-value 7779.16
Click to view 3D structure	A1 adenosine receptor	Q4VQ11	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.114 Low confidence Statistical Significance 0.5722 Supporting Reference Compounds 9 E-value 4454.3
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.125 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 825 E-value 7783.21
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.104 Applicability Domain 0.114 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 391 E-value 7781.42
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.104 Applicability Domain 0.108 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 1301 E-value 7782.74
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	Prediction Confidence Score 0.104 Applicability Domain 0.114 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 187 E-value 7775.66