4-Hydroxycinnamic acid (CED0001818)

Record Information
Version1.0
Creation Date2016-05-25 18:16:08 UTC
Update Date2026-05-14 18:02:02 UTC
SynCED IDCED0001818
Secondary Accession Numbers
  • CHEM021936
Identification
Common Name4-Hydroxycinnamic acid
ClassSmall Molecule
Description
4-Hydroxycinnamic acid (C9H8O3) is a compound with an average molecular weight of 164.16 g/mol. 4-Hydroxycinnamic acid belongs to the hydroxycinnamic acids and derivatives, a subclass of cinnamic acids and derivatives within the organic compounds. Industrially, it is classified as a phenolic acid (PMC11480432 ) and a polyphenol (PMC11480432 ), and it is used as a softener and conditioner. Biologically, it acts as an antioxidant (PMC11643819 ). The compound is found in or released from 12 recorded sources. These include household cleaning and consumer products such as tobacco product cases, as well as electrical and electronic equipment including antennas and video games. It is also associated with food, food processing, and cookware, specifically in the preparation of malt, vinegar, wine or sparkling wine, molasses and the treatment of molasses, food contact materials, and four other sources. Recorded exposure routes include oral, inhalation, and touch. At the molecular level, 4-hydroxycinnamic acid interacts with 11 recorded protein targets, serving as an inhibitor of Photoactive yellow protein (pyp) and targeting Photoactive yellow protein (pph), Tyrosine ammonia-lyase (hutH), Prostaglandin reductase 1 (PTGR1), and seven other proteins. Regarding health effects, the compound is associated with dental caries (PMC10254502 ).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H8O3
Average Molecular Mass164.158 g/mol
Monoisotopic Mass164.047 g/mol
CAS Registry Number7400-08-0
IUPAC Name(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Traditional Namecoumaric acid
SMILESOC(=O)\C=C\C1=CC=C(O)C=C1
InChI IdentifierInChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChI KeyNGSWKAQJJWESNS-ZZXKWVIFSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • pale yellow colour ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.02 g/LALOGPS
logP1.74ALOGPS
logP1.83ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)4ChemAxon
pKa (Strongest Basic)-6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity45.04 m³·mol⁻¹ChemAxon
Polarizability16.43 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-014m-1981000000-e7648e85764a445a919cNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-066v-3791000000-a5712bbe8401ef499b5aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03di-8900000000-3bb023f80c1f54a16adcNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03xr-5900000000-a364c62c9122c0fbe6deNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014m-1981000000-e7648e85764a445a919cNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-066v-3791000000-a5712bbe8401ef499b5aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014m-1891000000-d8804981d3918cac534dNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-014j-2900000000-7075c3e10f9df528109eNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00xu-6390000000-3110f0f6eb462a38bb64Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-8900000000-3bb023f80c1f54a16adcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-b58aab08954c973df04eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-3ddb41572ba36a950e37Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-ccac7f071084bc660095Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-3900000000-5dc8af06da0120779cffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-9500000000-9187edc4498ab4345e5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-3900000000-1118928776a5a6e213dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-3d831c6acd9d3188de2fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-fbb6439b7d012045f3a8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-9e18d43a8d86f9b9e72bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-c5faa58d353ca1466c3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-c45397049a7ba500b332Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-b58aab08954c973df04eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-3ddb41572ba36a950e37Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-ccac7f071084bc660095Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-3900000000-5dc8af06da0120779cffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-9500000000-9187edc4498ab4345e5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-3d831c6acd9d3188de2fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-fbb6439b7d012045f3a8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-9e18d43a8d86f9b9e72bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-3900000000-1118928776a5a6e213dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014j-0900000000-9d72cbee7a67e7f3df3aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-4964433233-843b27271ab3bf809f7dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-9500000000-5bce62eee4a7ee441493Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014l-9000000000-63cc88b69b05b2224b5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-1900000000-fbdb27c78158aafc252bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0007-9200000000-03655653fb40cab42f21Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-c6491d0aaba639e3ae07Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-9e18d43a8d86f9b9e72bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-a183cce49af676c95d4eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-8c7b2f26a67c77d89075Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000b-9700000000-81d00b1e49f3bfb888a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014l-9100000000-c12ad1f677d6b7d4bf52Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kg-6900000000-e27d4fc6eecdec228fb5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014m-5900000000-72f29b399c14e4065a68Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-2c553d5568f71603ab89Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-7d85b430d7b27f208621Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-2123c7af97d8ddd3883fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ke-3900000000-143cce6bfea12b0e35daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-f9967971ad7302adf3a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9300000000-3fb18b6a9a12db8de1e2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-c32acd89c44b3a1c83d2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9200000000-08d2d5e3b9d8a985f907Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-24d8628d5829a7bb59a5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-5a5c6c6de81424a52702Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-c46222a99025b250c5d6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-f04e7b46f55ee3811deeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-212f88dc6552347eddffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-fdd9aa683efa38521c22Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-255ea03f3cfa0b94c94cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014l-7900000000-2c6eae1b232811181adfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-1f13fa0e7a24be298cfbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-9400000000-0f36f1306229306c81b5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-361f7c34f827a47baddbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-9200000000-206402014014906dbe29Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014j-0900000000-43c3377fad5f7488bea0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014j-0900000000-2264676cffcfb3110cb8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gdr-9600000000-9d441c7fc0720390be54Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-2ce3562ddd5762384d09Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-f6c69044556dd2ca2134Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014m-3900000000-f7e5cd9359ebf2ee51a6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-e62a4456e8af54cd8d30Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014j-2900000000-e821b19fd495c84254e4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00or-9500000000-2be1e6ab71c47f1adce8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0900000000-c5f236f966bec5f38c58Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0900000000-d582aacd28a4fe8d7abdNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-2900000000-47224d61f53cb1421159Not AvailableView Spectrum
MSMS Spectrumsplash10-03xr-6900000000-348f5c7c030570e0612fNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2112.0 Log mg/kg [1200:3800]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
cancerHas Therapeutic Effect OnNot AvailableCancer 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.PMC8216986
colorectal cancerHas Therapeutic Effect OnNot AvailableA large intestine cancer that is located in the colon and/or located in the rectum. (DO)PMC11525408
weight gainHas Therapeutic Effect OnNot AvailableA finding characterized by an increase in overall body weight; for pediatrics, greater than the baseline growth curve. (NCI CTCAE)PMC10534927
Prostate cancerAssociated With?Not AvailableA male reproductive organ cancer that is located in the prostate. (DO)PMC2662592 , PMC2662592
melanomaHas Therapeutic Effect OnNot AvailableA cell type cancer that has material basis in abnormally proliferating cells derives from melanocytes which are found in skin, the bowel and the eye. (DO)PMC12250873
colon cancerHas Therapeutic Effect OnNot AvailableNot AvailablePMC12250873 , PMC11525408
obesityHas Therapeutic Effect OnNot AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC10534927
Dental cariesAssociated With?Not AvailableNot AvailablePMC10254502
Toxic encephalopathyHas Therapeutic Effect OnNot AvailableNot AvailablePMC9143627
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC8509433 , PMC12859078
DNA DamageAssociated With?increaseNot AvailablePMC12747205
DNA DamageHas Therapeutic Effect OnNot AvailableNot AvailablePMC10206224
depressive disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC9143627
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
CEDs000013Soil?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 managementPMC6715655 , PMC3572399
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC7969643 , PMC3889157
CEDs000233Brushes?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 & cosmeticsPubChem
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
CEDs000506Antennas?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 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
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
CEDs000519Electrodes?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 EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid 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 EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
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
CEDs000546Molasses And Treatment Of Molasses?Molasses is a thick, viscous byproduct of sugar production, derived from the extraction of sugar cane or sugar beet juice.Food, food processing & cookwarePubChem
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.Food, food processing & cookwarePubChem
CEDs000548Preparation 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 & cookwarePubChem
CEDs000549Preparation 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 & 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
CEDs000551Processing Fish?Processing fish can lead to synthetic chemical contamination through various stages of production and preservation.Food, food processing & cookwarePubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000553Treatment Of Hops?Hops, a key ingredient in brewing and food flavoring, can be a source of synthetic chemical contamination due to various agricultural practices.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
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
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
CEDs000563Soap 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 productsPubChem
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.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
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.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
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.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
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
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
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.Textiles, leather & furnishingsPubChem
CEDs000652Ropes?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 & furnishingsPubChem
CEDs000662Yarns 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 & furnishingsPubChem
CEDs000665Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.Fire suppression systems & agentsPubChem
CEDs000667Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.Fire suppression systems & agentsPubChem
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
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000689Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.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
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
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
CEDs00782RhizosphereAgriculture & land managementPMC11047296
CEDs00784Feed AdditivesAgriculture & land managementPMC12747205
CEDs00786Corn StoverAgriculture & land managementPMC12703426 , PMC12703426
CEDs00819Maize BranAgriculture & land managementPMC8262893
CEDs00824Corn BranAgriculture & land managementPMC7356249 , PMC11765362
CEDs00836Rhizospheric SoilAgriculture & land managementPMC12413057 , PMC12413057
CEDs00837Rhizosphere SoilAgriculture & land managementPMC6017069
CEDs00860Sorghum GrainAgriculture & land managementPMC8353607
CEDs00863Corn FiberAgriculture & land managementPMC10991675
CEDs00898Forest SoilAgriculture & land managementPMC4186836
CEDs00914Rhizosphere SoilsAgriculture & land managementPMC6017069 , PMC6017069
CEDs01143DietFood, food processing & cookwarePMC12114875 , PMC8472784
CEDs01147BeerFood, food processing & cookwarePMC6515478 , PMC9653871
CEDs01151FruitsFood, food processing & cookwarePMC12984886 , PMC7356249
CEDs01153Breast MilkFood, food processing & cookwarePMC10899372
CEDs01157FoodsFood, food processing & cookwarePMC8261246
CEDs01159Wheat StrawFood, food processing & cookwarePMC11488576 , PMC12603382
CEDs01171MeatFood, food processing & cookwarePMC2662592
CEDs01183WheatFood, food processing & cookwarePMC10606821
CEDs01191CoffeeFood, food processing & cookwarePMC9653871 , PMC12302240
CEDs01198HoneyFood, food processing & cookwarePMC11252217 , PMC2712839
CEDs01199Honey SamplesFood, food processing & cookwarePMC11275487
CEDs01200VegetablesFood, food processing & cookwarePMC9653871 , PMC10910046
CEDs01208FruitFood, food processing & cookwarePMC9854589 , PMC11726888
CEDs01215Beer SamplesFood, food processing & cookwarePMC6515478
CEDs01231WinesFood, food processing & cookwarePMC7560058 , PMC13400378
CEDs01248Wheat FlourFood, food processing & cookwarePMC11052053
CEDs01256Rice HuskFood, food processing & cookwarePMC11513767
CEDs01302WineFood, food processing & cookwarePMC9653871 , PMC6480299
CEDs01303Rice BranFood, food processing & cookwarePMC12071984
CEDs01317Sugar Beet PulpFood, food processing & cookwarePMC8262893
CEDs01348Rice StrawFood, food processing & cookwarePMC6539957
CEDs01382Black Rice BranFood, food processing & cookwarePMC11011668
CEDs01406White WineFood, food processing & cookwarePMC10814861
CEDs01500Coffee PulpFood, food processing & cookwarePMC8262893
CEDs01576VinegarsFood, food processing & cookwarePMC6017034
CEDs01643Honeydew HoneysFood, food processing & cookwarePMC11275487 , PMC11275487
CEDs01763Synthetic Grape Juice MediumFood, food processing & cookwarePMC4779194 , PMC4779194
CEDs01984Agro-industrial By-productsIndustrial manufacturing & chemical processingPMC13304128
CEDs02114Waste StreamsWaste management, landfill & incinerationPMC8262893
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)
Prediction Confidence Score
0.649
Applicability Domain
1.0
Statistical Significance
7.00e-05
Supporting Reference Compounds
84
E-value
0.544945
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.634
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
372
E-value
0.700643
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.634
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
242
E-value
0.311397
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.634
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
172
E-value
0.233548
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.625
Applicability Domain
1.0
Statistical Significance
1.60e-04
Supporting Reference Compounds
407
E-value
1.24559
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.624
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
151
E-value
0.311397
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.624
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
165
E-value
0.233548
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.624
Applicability Domain
1.0
Statistical Significance
1.90e-04
Supporting Reference Compounds
472
E-value
1.47914
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.624
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
332
E-value
0.700643
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.621
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
157
E-value
0.233548
Carbonic anhydrase 3 structureClick to view 3D structureCarbonic anhydrase 3P07451HumansPredicted (SEA)
Prediction Confidence Score
0.585
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
64
E-value
0.155698
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)
Prediction Confidence Score
0.574
Applicability Domain
0.708
Statistical Significance
1.10e-04
Supporting Reference Compounds
29
E-value
0.856341
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.561
Applicability Domain
1.0
Statistical Significance
1.00e-04
Supporting Reference Compounds
193
E-value
0.778492
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.544
Applicability Domain
0.654
Statistical Significance
8.60e-04
Supporting Reference Compounds
315
E-value
6.69503
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.513
Applicability Domain
0.654
Statistical Significance
2.00e-04
Supporting Reference Compounds
49
E-value
1.55698
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansPredicted (SEA)
Prediction Confidence Score
0.512
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
29
E-value
0.155698
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.477
Applicability Domain
1.0
Statistical Significance
5.20e-04
Supporting Reference Compounds
174
E-value
4.04816
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.475
Applicability Domain
0.607
Statistical Significance
0.0041
Supporting Reference Compounds
400
E-value
31.6068
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.468
Applicability Domain
0.531
Statistical Significance
5.30e-04
Supporting Reference Compounds
70
E-value
4.12601
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.461
Applicability Domain
0.607
Statistical Significance
0.0033
Supporting Reference Compounds
292
E-value
25.9238
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.458
Applicability Domain
0.607
Statistical Significance
0.0034
Supporting Reference Compounds
258
E-value
26.7801
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.456
Applicability Domain
0.531
Statistical Significance
0.0015
Supporting Reference Compounds
241
E-value
11.7552
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
0.621
Statistical Significance
0.0091
Supporting Reference Compounds
1538
E-value
71.0763
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.453
Applicability Domain
0.607
Statistical Significance
9.10e-04
Supporting Reference Compounds
96
E-value
7.08428
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.452
Applicability Domain
0.567
Statistical Significance
0.0011
Supporting Reference Compounds
88
E-value
8.64126
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansKnownNot Available
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansKnownNot Available
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available