Cromoglicic acid (CED0005590)

Record Information
Version1.0
Creation Date2016-05-25 18:24:16 UTC
Update Date2026-08-21 23:31:10 UTC
SynCED IDCED0005590
Secondary Accession Numbers
  • CHEM022217
Identification
Common NameCromoglicic acid
ClassSmall Molecule
Description
Cromoglicic acid is an organic compound with the chemical formula $\text{C}_{23}\text{H}_{16}\text{O}_{11}$ and an average molecular weight of 468.37 g/mol. Cromoglicic acid belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. It is classified as an organoheterocyclic compound. The compound has been identified in or released from 22 recorded sources. Within the category of healthcare, pharmaceuticals, and veterinary products, it is found in decongestants and antiallergics, nasal preparations, dermatological preparations, intestinal antiinflammatory agents, and drugs for obstructive airway diseases. It is also associated with food preservation and the preparation of wort. In the building and construction sector, it is found in stairs, ramps, and ceilings. Additional sources include household cleaning and consumer products such as perfumes within detergents and soaps, pipe accessories, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites. It is also present in electrical and electronic equipment, including magnets, electric switches, amplifiers, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Recorded exposure routes for cromoglicic acid include nasal, oral, respiratory, ophthalmic, and intrabronchial pathways. At the molecular level, the compound interacts with two recorded protein targets, acting as an antagonist/inhibitor of Protein S100-P (S100P) and the heat shock protein HSP 90-alpha (HSP90AA1).
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
5-[3-(2-Carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acidChEBI
Acide cromogliciqueChEBI
Acido cromoglicicoChEBI
Acidum cromoglicicumChEBI
CromolynChEBI
Cromo-comodKegg
5-[3-(2-Carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylateGenerator
CromoglicateGenerator
CromoglycateHMDB
AaraneHMDB
Bicromat sprayHMDB
Cromoglycate, sodiumHMDB
Disodium cromoglycateHMDB
IntalHMDB
OpticromHMDB
VicromHMDB
Cromolyn sodiumHMDB
FPL 670HMDB
LomudalHMDB
NalcromHMDB
Sodium cromoglycateHMDB
Cromoglycate, disodiumHMDB
Cromoglycic acidHMDB
FPL-670HMDB
Acid, cromoglicicHMDB
Acid, cromoglycicHMDB
NasalcromHMDB
Cromoglicic acidChEBI
Chemical FormulaC23H16O11
Average Molecular Mass468.367 g/mol
Monoisotopic Mass468.069 g/mol
CAS Registry Number16110-51-3
IUPAC Name5-{3-[(2-carboxy-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid
Traditional Namecromoglicic acid
SMILESOC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O
InChI IdentifierInChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
InChI KeyIMZMKUWMOSJXDT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct ParentChromones
Alternative Parents
Substituents
  • Chromone
  • Alkyl aryl ether
  • Pyranone
  • Dicarboxylic acid or derivatives
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous ester
  • Secondary alcohol
  • Oxacycle
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.036 g/LALOGPS
logP1.84ALOGPS
logP1.48ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)1.77ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area165.89 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity114.11 m³·mol⁻¹ChemAxon
Polarizability44.38 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0pba-0596500000-93b57c77aba43e672f0fNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00xr-4030029000-8cee526b514f9030027dNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0000900000-b29947fd1c55b6bb244eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06r2-0090000000-14c9cd86f6f2c6066ed8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-0090000000-28843e4d8ab22e289734Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0390000000-3f291eddb35619c6f657Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-1970000000-3eb328adfc6464d47d0aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-1970000000-3eb328adfc6464d47d0aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-1970000000-7693f4b629cdd5b2cc12Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-1970000000-8acb2ff2aa9f946c965eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-0090000000-28843e4d8ab22e289734Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0390000000-3f291eddb35619c6f657Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06r2-0090000000-14c9cd86f6f2c6066ed8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0000900000-b29947fd1c55b6bb244eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uxr-0010900000-333b6bbaebdefd98cb8aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0040900000-549295824b43e7326954Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004r-0829000000-75589226ac0f3652f3f4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-066r-0040900000-5470e8167deb6420a80dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0390200000-ee133f6c3b06c2f3d6dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01p9-0920000000-cd6dad6d34c8953cb0f1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03xs-0090400000-48554858774d38efc161Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ar0-0174900000-ace6b51a5aae1f5162e2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002k-0922100000-5c9d0eb5301c64cc6cdbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0009100000-980321ff92418fa36e15Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0029200000-1384911135e07db91abbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fs-2944000000-71e889679bc8f1cbbb34Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2307.0 Log mg/kg [1300:4100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
autistic disorderNot AvailableNot AvailableNot AvailablePMC10970846
NeuroprotectionHas Therapeutic Effect OnNot AvailableNot AvailablePMC9737531
Pelvic painNot AvailableNot AvailableNot AvailablePMC7768977
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000258Intestinal antiinflammatory agents?Intestinal anti-inflammatory agents are synthetic chemicals designed to reduce inflammation in the gastrointestinal tract, often used in the treatment of conditions such as inflammatory bowel disease and ulcerative colitis.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000315Dermatological preparations?Dermatological preparations encompass a wide range of topical products, including creams, ointments, gels, and lotions, designed for the treatment of skin conditions.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000389Nasal preparations?Nasal preparations, including sprays and drops, are commonly used for therapeutic purposes such as treating allergies, congestion, and infections.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000391Drugs for obstructive airway diseases?Drugs for obstructive airway diseases, such as bronchodilators and corticosteroids, are used to manage conditions like asthma and chronic obstructive pulmonary disease (COPD).Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000400Decongestants and antiallergics?Decongestants and antiallergics are synthetic chemicals commonly used in the treatment of nasal congestion and allergic reactions, respectively.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
CEDs000500Stairs And Ramps?Stairs and ramps in construction are often treated with various synthetic chemicals to enhance durability, slip resistance, and weather resistance.Building & ConstructionPubChem
CEDs000505Amplifiers?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 EquipmentPubChem
CEDs000511Conductors 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 EquipmentPubChem
CEDs000517Electric 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 EquipmentPubChem
CEDs000518Electrically 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 EquipmentPubChem
CEDs000527Magnets?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 EquipmentPubChem
CEDs000533Sparking Plugs?Spark plugs are critical components in internal combustion engines, facilitating the ignition of fuel-air mixtures by generating a spark.Electrical & Electronic EquipmentPubChem
CEDs000537Television 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 EquipmentPubChem
CEDs000545Food 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 & cookwarePubChem
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non 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 productsPubChem
CEDs000560Other 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 productsPubChem
CEDs000561Perfumes 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 productsPubChem
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.Household cleaning & consumer productsPubChem
CEDs000569Tobacco 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 productsPubChem
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture 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 processingPubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun 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 & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.Personal care & cosmeticsPubChem
CEDs000613Depilatories?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 & cosmeticsPubChem
CEDs000614Essential 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 & cosmeticsPubChem
CEDs000615Eye 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 & cosmeticsPubChem
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsPubChem
CEDs000617Lip 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 & cosmeticsPubChem
CEDs000618Lip 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 & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000650Purses 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 & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes 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 & AerospacePubChem
CEDs000678Nitrogenous 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 managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather 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 & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
1 pathwayPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.358
Statistical Significance
0.0265
Supporting Reference Compounds
686
E-value
206.145
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.327
Statistical Significance
0.0405
Supporting Reference Compounds
562
E-value
315.134
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.327
Statistical Significance
0.0089
Supporting Reference Compounds
258
E-value
68.9744
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.327
Statistical Significance
0.0357
Supporting Reference Compounds
541
E-value
277.766
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.327
Statistical Significance
0.0064
Supporting Reference Compounds
180
E-value
49.6678
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.327
Statistical Significance
0.0638
Supporting Reference Compounds
1130
E-value
496.6
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.327
Statistical Significance
0.0464
Supporting Reference Compounds
823
E-value
361.532
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.327
Statistical Significance
0.0585
Supporting Reference Compounds
955
E-value
455.107
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.327
Statistical Significance
0.032
Supporting Reference Compounds
536
E-value
248.962
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.327
Statistical Significance
0.036
Supporting Reference Compounds
593
E-value
280.569
Click to view 3D structureG protein-coupled receptor GPR35Q33BM1Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.379
Statistical Significance
3.00e-05
Supporting Reference Compounds
7
E-value
0.233548
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.327
Statistical Significance
0.0041
Supporting Reference Compounds
145
E-value
31.6846
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.333
Statistical Significance
0.0484
Supporting Reference Compounds
793
E-value
377.024
Click to view 3D structure5-hydroxytryptamine receptor 1BP28564Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.327
Statistical Significance
0.0122
Supporting Reference Compounds
154
E-value
94.8204
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.327
Statistical Significance
0.0594
Supporting Reference Compounds
953
E-value
462.269
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.347
Statistical Significance
0.0022
Supporting Reference Compounds
48
E-value
17.2825
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.327
Statistical Significance
0.1455
Supporting Reference Compounds
1498
E-value
1132.63
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.327
Statistical Significance
0.0186
Supporting Reference Compounds
139
E-value
144.722
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.319
Statistical Significance
0.0313
Supporting Reference Compounds
332
E-value
243.902
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.319
Statistical Significance
0.0209
Supporting Reference Compounds
242
E-value
162.705
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.309
Statistical Significance
0.0371
Supporting Reference Compounds
372
E-value
288.976
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.327
Statistical Significance
0.0309
Supporting Reference Compounds
337
E-value
240.943
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.327
Statistical Significance
0.0022
Supporting Reference Compounds
37
E-value
17.3604
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.319
Statistical Significance
0.0191
Supporting Reference Compounds
165
E-value
149.003
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.319
Statistical Significance
0.0533
Supporting Reference Compounds
472
E-value
414.781
Concentrations
Not Available
External Links
DrugBank IDDB01003
HMDB IDHMDB0015138
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCromoglicic acid
Chemspider ID2779
ChEBI ID59773
PubChem Compound ID2882
Kegg Compound IDC06928
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available