N-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide (CED0159942)

Record Information

Version

1.0

Creation Date

2026-08-21 22:24:49 UTC

Update Date

2026-08-21 22:24:49 UTC

SynCED ID

CED0159942

Secondary Accession Numbers

CHEM205744

Identification

Common Name

N-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide

Class

Small Molecule

Description

N-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide belongs to the tropones, a class of hydrocarbon derivatives within the organic compounds. This compound has a chemical formula of C22H25NO6 and an average molecular weight of 399.40 g/mol. Biologically, it functions as an alkaloid (PMC7764623 ) and an inhibitor (PMC11504584 ). It is recorded as being found in or released from 20 sources, including household cleaning and consumer products such as soap detergents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites. It is also associated with food, food processing and cookware, specifically the preparation of vinegar, preparation of wine or sparkling wine, and fermentation processes for beer. Additionally, it is found in electrical and electronic equipment, including electric hearing aids, electric switches, antennas, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices. The compound is used as a treatment for fever (PMC1492602 ), abdominal pain (PMC1492602 ), gout (PMC3850778 , PMC8270272 ), familial Mediterranean fever (PMC3850778 , PMC8270272 ), and pericarditis (PMC8836481 ). It has demonstrated therapeutic effects on stroke (PMC11919821 ) and cervical cancer (PMC12290890 ). Adverse effects associated with the compound include nausea (PMC1492602 ), vomiting (PMC1492602 ), diarrhea (PMC1492602 ), hypotension (PMC1492602 ), weakness (PMC1492602 ), lethargy (PMC1492602 ), anuria (PMC1492602 ), myopathy (PMC1492602 ), and acute renal failure (PMC1492602 ).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₂₅NO₆

Average Molecular Mass

399.400 g/mol

Monoisotopic Mass

399.168 g/mol

CAS Registry Number

64-86-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

InChI Key

IAKHMKGGTNLKSZ-INIZCTEOSA-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

mutagen (PMC6681243 )?A chemical substance that alters the genetic material of an organism, and increases the frequency of mutations above the naturally-occuring rate
antimicrobial agent (PMC11621155 )?
antiviral agent (PMC8270272 )?
hepatotoxic agent (PMC2860427 )?A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
microtubule-destabilising agent (PMC10527823 )?
toxin (PMC5480980 )?A chemical substance naturally produced by an organism and poisonous to other organisms
antimitotic (PMC3604738 , PMC6681243 )?
anti-inflammatory drug (PMC8421571 )?
anti-inflammatory agent (PMC12563985 )?
inhibitor (PMC11504584 )?
alkaloid (PMC7764623 )?

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
MS	MS Spectrum	splash10-03dj-3497000000-ab135747547a155665cf	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1166.0 Log mg/kg [660:2100]	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
inflammation	Not Available	Not Available	Not Available	PMC11978714
breast cancer	Associated With?	Not Available	A breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)	PMC9872387
pericarditis	Not Available	Not Available	Not Available	PMC8836481 , PMC7223859
cervical cancer	Has Therapeutic Effect On	Not Available	A female reproductive organ cancer that is located in the cervix. (DO)	PMC12290890
stroke	Has Therapeutic Effect On	Not Available	Not Available	PMC11919821
diarrhea	Associated With?	Not Available	A disorder characterized by an increase in frequency and/or loose or watery bowel movements. (NCI CTCAE)	PMC1492602
fever	Not Available	Not Available	A disorder characterized by an abnormally high body temperature.	PMC1492602 , PMC9893968
liver cancer	Not Available	Not Available	Liver cancer, also known as hepatic cancer and primary hepatic cancer, is cancer that starts in the liver. Cancer which has spread from elsewhere to the liver, known as liver metastasis, is more common than that which starts in the liver. Symptoms of liver cancer may include a lump or pain in the right side below the rib cage, swelling of the abdomen, yellowish skin, easy bruising, weight loss and weakness.("Adult Primary Liver Cancer Treatment (PDQ®)–Patient Version". NCI. 6 July 2016. Archived from the original on 2 October 2016. Retrieved 29 September 2016) The leading cause of liver cancer is cirrhosis due to hepatitis B, hepatitis C or alcohol.(PMID: 25530442) The most common types of liver cancer are hepatocellular carcinoma (HCC), which makes up 80% of cases, and cholangiocarcinoma.(World Cancer Report 2014. World Health Organization. 2014. pp. Chapter 5.6. ISBN 978-9283204299) Globally, as of 2010, liver cancer resulted in 754,000 deaths, up from 460,000 in 1990, making it the third leading cause of cancer death after lung and stomach.(PMID: 23245604) In 2012, it represented 7% of cancer diagnoses in men, the 5th most diagnosed cancer that year.(World Cancer Report 2014. International Agency for Research on Cancer, World Health Organization. 2014. ISBN 978-92-832-0432-9)	PMC7249046
abdominal pain	Not Available	Not Available	A disorder characterized by a sensation of marked discomfort in the abdominal region. (NCI CTCAE)	PMC1492602
COVID-19	Not Available	Not Available	Not Available	PMC11413206
nausea	Associated With?	Not Available	A disorder characterized by a queasy sensation and/or the urge to vomit. (NCI CTCAE)	PMC1492602
vomiting	Associated With?	Not Available	A disorder characterized by the reflexive act of ejecting the contents of the stomach through the mouth. (NCI CTCAE)	PMC1492602
gout	Not Available	Not Available	An arthritis that has material basis in uric acid crystal deposits located in joint. (DO)	PMC3850778 , PMC8270272
Acne	Not Available	Not Available	A disorder of the skin in which oil glands and hair glands become inflamed.	PMC10583446
acute renal failure	Associated With?	Not Available	Not Available	PMC1492602
hypotension	Associated With?	Not Available	A disorder characterized by a blood pressure that is below the normal expected for an individual in a given environment. (NCI CTCAE)	PMC1492602
familial Mediterranean fever	Not Available	Not Available	An autosomal recessive (Gene MEFV) hypersensitivity reaction type II disease characterized by recurrent episodes of fever and acute inflammation of the membranes lining the abdomen, joints and lungs.	PMC3850778 , PMC8270272
lethargy	Associated With?	Not Available	A disorder characterized by a decrease in consciousness characterized by mental and physical inertness. (NCI CTCAE)	PMC1492602
myopathy	Associated With?	Not Available	Not Available	PMC1492602
weakness	Associated With?	Not Available	Not Available	PMC1492602
anuria	Associated With?	Not Available	A condition which results in the non-passage of urine, typically caused by a failure in kidney function.	PMC1492602
pyoderma gangrenosum	Not Available	Not Available	Not Available	PMC10583446
agranulocytosis	Associated With?	increase	Not Available	PMC1492602
agranulocytosis	Associated With?	Not Available	Not Available	PMC2700222
amyloidosis	Has Therapeutic Effect On	Not Available	An acquired metabolic disease that involves abnormal deposited of amyloid proteins in organs and/or tissues.	PMC1492602 , PMC5271383
liver failure	Associated With?	Not Available	Not Available	PMC1492602
multiple organ dysfunction syndrome	Associated With?	Not Available	Not Available	PMC1492602
Rhabdomyolysis	Associated With?	increase	Not Available	PMC1492602
hypotensive disorder	Associated With?	Not Available	Not Available	PMC1492602
Asthenia	Associated With?	Not Available	Not Available	PMC1492602
adult respiratory distress syndrome	Associated With?	Not Available	Not Available	PMC1492602
serum amyloid A amyloidosis	Has Therapeutic Effect On	Not Available	Not Available	PMC1492602

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
CEDs000181	Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.	Marine, shipping & aquaculture	PubChem
CEDs000182	Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.	Marine, shipping & aquaculture	PubChem
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000527	Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.	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
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	PubChem
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	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
CEDs000548	Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.	Food, food processing & cookware	PubChem
CEDs000549	Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.	Food, food processing & cookware	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000560	Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.	Household cleaning & consumer products	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
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
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	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
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
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
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	PubChem
CEDs000619	Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.	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
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000652	Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	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
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	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
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	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
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
CEDs00751	Feed	Agriculture & land management	PMC12625520
CEDs02255	Water	Aquatic systems & sediments	PMC8760854
CEDs02261	Sea Water	Aquatic systems & sediments	PMC5480980 , PMC5480980
CEDs02283	Environmental Waters	Aquatic systems & sediments	PMC13307081

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	Caspase-3	P42574	Humans	Known	Not Available
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Known	Not Available
Click to view 3D structure	Tubulin polymerization-promoting protein	Q27957	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.472 Applicability Domain 0.655 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	Tubulin beta chain	Q6B856	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.401 Applicability Domain 0.655 Statistical Significance 1.10e-04 Supporting Reference Compounds 12 E-value 0.856341
Click to view 3D structure	Tubulin alpha chain	P02550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.388 Applicability Domain 0.655 Statistical Significance 5.00e-05 Supporting Reference Compounds 9 E-value 0.389246
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.655 Statistical Significance 0.1037 Supporting Reference Compounds 967 E-value 807.374
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.333 Statistical Significance 0.0554 Supporting Reference Compounds 565 E-value 431.518
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.333 Statistical Significance 0.0907 Supporting Reference Compounds 953 E-value 705.937
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.333 Statistical Significance 0.0795 Supporting Reference Compounds 686 E-value 619.135
Click to view 3D structure	Nuclear receptor subfamily 0 group B member 1	P51843	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.643 Statistical Significance 1.00e-04 Supporting Reference Compounds 17 E-value 0.778492
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.29 Low confidence Statistical Significance 0.1133 Supporting Reference Compounds 823 E-value 881.72
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.284 Low confidence Statistical Significance 0.0632 Supporting Reference Compounds 425 E-value 491.929
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.29 Low confidence Statistical Significance 0.1591 Supporting Reference Compounds 1103 E-value 1238.5
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.29 Low confidence Statistical Significance 0.1509 Supporting Reference Compounds 955 E-value 1174.51
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.333 Statistical Significance 0.0908 Supporting Reference Compounds 536 E-value 707.26
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.333 Statistical Significance 0.0403 Supporting Reference Compounds 258 E-value 313.966
Click to view 3D structure	1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial	Q09128	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.309 Statistical Significance 6.20e-04 Supporting Reference Compounds 4 E-value 4.82665
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.29 Low confidence Statistical Significance 0.1238 Supporting Reference Compounds 528 E-value 963.618
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.282 Low confidence Statistical Significance 0.1881 Supporting Reference Compounds 861 E-value 1464.66
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.29 Low confidence Statistical Significance 0.0573 Supporting Reference Compounds 206 E-value 446.387
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.273 Low confidence Statistical Significance 0.1267 Supporting Reference Compounds 406 E-value 986.35
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.333 Statistical Significance 0.042 Supporting Reference Compounds 180 E-value 326.655
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.333 Statistical Significance 0.0958 Supporting Reference Compounds 337 E-value 746.029
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.275 Low confidence Statistical Significance 0.0096 Supporting Reference Compounds 29 E-value 75.1245
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.333 Statistical Significance 0.0318 Supporting Reference Compounds 145 E-value 247.249
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.333 Statistical Significance 0.1104 Supporting Reference Compounds 365 E-value 859.611
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.333 Statistical Significance 0.1042 Supporting Reference Compounds 340 E-value 811.422