(1r)-1-[(4r,4ar,8as)-2,6-bis(4-chlorophenyl)-4-methyl-8,8a-dihydro-4ah-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol (CED0277202)

Record Information

Version

1.0

Creation Date

2026-08-30 04:57:31 UTC

Update Date

2026-08-30 04:57:31 UTC

SynCED ID

CED0277202

Secondary Accession Numbers

CHEM322477

Identification

Common Name

(1r)-1-[(4r,4ar,8as)-2,6-bis(4-chlorophenyl)-4-methyl-8,8a-dihydro-4ah-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

Class

Small Molecule

Description

(1r)-1-[(4r,4ar,8as)-2,6-bis(4-chlorophenyl)-4-methyl-8,8a-dihydro-4ah-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol is a chemical compound with the formula C21H22Cl2O6. It has an average molecular weight of 441.30 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₂Cl₂O₆

Average Molecular Mass

Not Available

Monoisotopic Mass

440.079 g/mol

CAS Registry Number

82203-23-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1(C2C(COC(O2)C3=CC=C(C=C3)Cl)OC(O1)C4=CC=C(C=C4)Cl)C(CO)O

InChI Identifier

InChI=1S/C21H22Cl2O6/c1-21(17(25)10-24)18-16(27-20(29-21)13-4-8-15(23)9-5-13)11-26-19(28-18)12-2-6-14(22)7-3-12/h2-9,16-20,24-25H,10-11H2,1H3/t16-,17+,18+,19?,20?,21+/m0/s1

InChI Key

YULFFYZCWUUTNC-YWPNNVDBSA-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
819.0 Log mg/kg [460:1500]	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
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	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
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
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	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	Chemokine receptor	Q9MYJ9	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.225 Low confidence Statistical Significance 0.0328 Supporting Reference Compounds 1 E-value 255.501
Click to view 3D structure	ATP-binding cassette sub-family C member 8	Q09429	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.217 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 21.4864
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.225 Low confidence Statistical Significance 0.8727 Supporting Reference Compounds 1498 E-value 6793.67
Click to view 3D structure	Chitinase-3-like protein 1	P36222	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.218 Low confidence Statistical Significance 0.015 Supporting Reference Compounds 14 E-value 116.54
Click to view 3D structure	Acidic mammalian chitinase	Q9BZP6	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.218 Low confidence Statistical Significance 0.0186 Supporting Reference Compounds 26 E-value 144.877
Click to view 3D structure	Plasma membrane ATPase 1	P05030	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.0096 Supporting Reference Compounds 1 E-value 74.4239
Click to view 3D structure	Chitotriosidase-1	Q13231	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.215 Low confidence Statistical Significance 0.0179 Supporting Reference Compounds 21 E-value 139.039
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.232 Low confidence Statistical Significance 0.7434 Supporting Reference Compounds 1103 E-value 5787.23
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.232 Low confidence Statistical Significance 0.7102 Supporting Reference Compounds 861 E-value 5528.85
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.222 Low confidence Statistical Significance 0.9252 Supporting Reference Compounds 1538 E-value 7202.45
Click to view 3D structure	Type II NADH:quinone oxidoreductase Ndh	P95160	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0145 Supporting Reference Compounds 1 E-value 112.648
Click to view 3D structure	Type II NADH:quinone oxidoreductase NdhA	P95200	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0145 Supporting Reference Compounds 1 E-value 112.648
Click to view 3D structure	Glutamate (NMDA) receptor subunit zeta 1	O19067	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.203 Low confidence Statistical Significance 0.021 Supporting Reference Compounds 2 E-value 163.639
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.219 Low confidence Statistical Significance 0.7051 Supporting Reference Compounds 562 E-value 5489.15
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.208 Low confidence Statistical Significance 0.7419 Supporting Reference Compounds 506 E-value 5775.71
Click to view 3D structure	Chitinase-3-like protein 1	Q61362	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.215 Low confidence Statistical Significance 0.0184 Supporting Reference Compounds 7 E-value 143.243
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.206 Low confidence Statistical Significance 0.7475 Supporting Reference Compounds 593 E-value 5819.38
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.222 Low confidence Statistical Significance 0.9267 Supporting Reference Compounds 1130 E-value 7214.29
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.222 Low confidence Statistical Significance 0.9393 Supporting Reference Compounds 1245 E-value 7312.46
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.225 Low confidence Statistical Significance 0.2267 Supporting Reference Compounds 54 E-value 1764.92
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.232 Low confidence Statistical Significance 0.7031 Supporting Reference Compounds 524 E-value 5473.5
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.208 Low confidence Statistical Significance 0.7141 Supporting Reference Compounds 451 E-value 5559.06
Click to view 3D structure	Presenilin-2	P49810	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.198 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 20.7079
Click to view 3D structure	Chitinase-3-like protein 2	Q15782	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.208 Low confidence Statistical Significance 0.0134 Supporting Reference Compounds 4 E-value 104.474
Click to view 3D structure	Heme oxygenase 1	P06762	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.203 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 15 E-value 76.3701