(4s,4as,5as,6s,12ar)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-n-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide (CED0128977)

Record Information

Version

1.0

Creation Date

2026-08-22 00:26:30 UTC

Update Date

2026-08-22 00:26:30 UTC

SynCED ID

CED0128977

Secondary Accession Numbers

CHEM207215

Identification

Common Name

(4s,4as,5as,6s,12ar)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-n-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Class

Small Molecule

Description

(4s,4as,5as,6s,12ar)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-n-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 508.90 g/mol, (4s,4as,5as,6s,12ar)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-n-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide is a heavy molecule. It has the chemical formula C23H25ClN2O9. This compound has been recorded as being found in or released from electrical and electronic equipment antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₃H₂₅ClN₂O₉

Average Molecular Mass

508.900 g/mol

Monoisotopic Mass

508.125 g/mol

CAS Registry Number

1181-54-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-29,32,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1

InChI Key

BXTHDFJCJQJHKD-KMVLDZISSA-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
37.0 Log mg/kg [20:65]	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
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	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
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
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	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	Multidrug transporter MdfA	P0AEY8	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.358 Statistical Significance 8.00e-05 Supporting Reference Compounds 2 E-value 0.622794
Click to view 3D structure	P2Y purinoceptor 12	Q9H244	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.417 Statistical Significance 0.0192 Supporting Reference Compounds 49 E-value 149.159
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.33 Statistical Significance 0.3732 Supporting Reference Compounds 425 E-value 2905.18
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.417 Statistical Significance 0.4496 Supporting Reference Compounds 130 E-value 3499.87
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.33 Statistical Significance 0.3196 Supporting Reference Compounds 108 E-value 2488.45
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.33 Statistical Significance 0.6615 Supporting Reference Compounds 343 E-value 5149.73
Click to view 3D structure	EWS-Fli1 protein	Q16198	Homo sapiens	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.0358 Supporting Reference Compounds 1 E-value 278.545
Click to view 3D structure	Alpha-synuclein	P37840	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.417 Statistical Significance 0.0978 Supporting Reference Compounds 38 E-value 761.132
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.189 Low confidence Statistical Significance 0.6885 Supporting Reference Compounds 229 E-value 5360.23
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.189 Low confidence Statistical Significance 0.5838 Supporting Reference Compounds 199 E-value 4544.6
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.179 Low confidence Statistical Significance 0.9897 Supporting Reference Compounds 1538 E-value 7704.82
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.198 Low confidence Statistical Significance 0.9416 Supporting Reference Compounds 562 E-value 7330.28
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.198 Low confidence Statistical Significance 0.8699 Supporting Reference Compounds 528 E-value 6772.34
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.181 Low confidence Statistical Significance 0.9489 Supporting Reference Compounds 532 E-value 7387.35
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.189 Low confidence Statistical Significance 0.5721 Supporting Reference Compounds 186 E-value 4453.68
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.187 Low confidence Statistical Significance 0.5981 Supporting Reference Compounds 164 E-value 4656.24
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.176 Low confidence Statistical Significance 0.9534 Supporting Reference Compounds 593 E-value 7421.91
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.179 Low confidence Statistical Significance 0.9852 Supporting Reference Compounds 1130 E-value 7670.02
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.263 Low confidence Statistical Significance 0.8294 Supporting Reference Compounds 146 E-value 6456.74
Click to view 3D structure	Nuclear receptor subfamily 0 group B member 2	Q15466	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.17 Low confidence Statistical Significance 0.0219 Supporting Reference Compounds 1 E-value 170.645
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.181 Low confidence Statistical Significance 0.716 Supporting Reference Compounds 207 E-value 5574.16
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.181 Low confidence Statistical Significance 0.9491 Supporting Reference Compounds 373 E-value 7388.67
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.181 Low confidence Statistical Significance 0.9153 Supporting Reference Compounds 297 E-value 7125.85
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.181 Low confidence Statistical Significance 0.9374 Supporting Reference Compounds 386 E-value 7297.9
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.173 Low confidence Statistical Significance 0.9734 Supporting Reference Compounds 686 E-value 7578.08