Isorhamnetin (CED0002882)

Record Information
Version1.0
Creation Date2016-05-25 18:13:03 UTC
Update Date2026-05-14 19:59:22 UTC
SynCED IDCED0002882
Secondary Accession Numbers
  • CHEM021808
Identification
Common NameIsorhamnetin
ClassSmall Molecule
Description
Isorhamnetin is an organic compound with the formula C16H12O7 and an average molecular weight of 316.26 g/mol. Isorhamnetin belongs to the flavones, a subclass of flavonoids within the organic compounds. In biological contexts, it functions as an antioxidant (PMC4665427) and an anticoagulant (PMC9687696), and it has a therapeutic effect on inflammation (PMC9785621). It is recorded as an inhibitor of the protein target Cytochrome P450 1B1 (CYP1B1). Industrially, the compound is used as a humectant. Isorhamnetin is found in or released from 18 recorded sources across various sectors. These include Electrical & Electronic Equipment, such as capacitors, batteries, printed circuit boards, cell phones, and wires and cables. In the food, food processing & cookware sector, it is associated with food contact materials, food packaging, the treatment of hops, and the preparation of vinegar, wine, or sparkling wine. It is also found in lubricants within the energy, oil & gas and industrial manufacturing & chemical processing sectors. Other sources include medical devices in the healthcare, pharmaceuticals & veterinary products sector, as well as synthetic textiles and carpets and rugs in the textiles, leather & furnishings sector. Recorded routes of exposure for this compound include touch, oral, and inhalation.
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
Synonyms
ValueSource
3,5,7,4'-Tetrahydroxy-3'-methoxyflavoneChEBI
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-benzopyran-4-oneChEBI
3-MethylquercetinChEBI
IsorhamnetolChEBI
Quercetin 3'-methyl etherChEBI
3'-Methoxy-3,4',5,7-tetrahydroxyflavoneHMDB
3'-MethoxyquercetinHMDB
3'-MethylquercetinHMDB
3'-O-MethylquercetinHMDB
3,4',5,7-Tetrahydroxy-3'-methoxy-flavoneHMDB, MeSH
3,4',5,7-Tetrahydroxy-3'-methoxyflavoneHMDB, MeSH
3-MethylquercetineHMDB
4'-MethoxyquercetinHMDB
4'-MethylquercetinHMDB
4'-O-MethylquercetinHMDB
3-O-MethylquercetinMeSH, HMDB
iso-RhamnetinMeSH, HMDB
IsorhamnetineMeSH, HMDB
3-Methyl-quercetinMeSH, HMDB
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-onePhytoBank
3,4’,5,7-Tetrahydroxy-3’-methoxyflavonePhytoBank
3’-MethoxyquercetinPhytoBank
3’-MethylquercetinPhytoBank
3’-O-MethylquercetinPhytoBank
Quercetin 3’-methyl etherPhytoBank
Chemical FormulaC16H12O7
Average Molecular Mass316.262 g/mol
Monoisotopic Mass316.058 g/mol
CAS Registry Number480-19-3
IUPAC Name3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Traditional Nameisorhamnetin
SMILESCOC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI IdentifierInChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
InChI KeyIZQSVPBOUDKVDZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavones
Direct ParentFlavonols
Alternative Parents
Substituents
  • 3p-methoxyflavonoid-skeleton
  • 3-hydroxyflavone
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Pyran
  • Vinylogous acid
  • Heteroaromatic compound
  • Ether
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • 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 Roles
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 Solubility0.15 g/LALOGPS
logP1.96ALOGPS
logP2.3ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)6.38ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.45 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity81.34 m³·mol⁻¹ChemAxon
Polarizability30.58 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-014i-2219000000-20feeef38553ee7cdd29Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014i-2219000000-20feeef38553ee7cdd29Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000i-0591000000-2e1f6e28bf0d47d5e240Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-001u-0041090000-7e13d91dc4b2bd93fc17Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0394000000-f903b8df9b79e6a94f44Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0956000000-6286c6784746c9eba0e8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0219000000-c620190cc3878a4242f9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0zfr-1941000000-10313269e61a0584f37fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0109000000-082620470bd7fd8a6897Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ufr-0491000000-da6ec11ed89cc64a7972Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0139000000-141b68c1e564685b35ceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0139000000-8fa57905e16cdfcc4e9eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0493000000-2b88769e97319b5f076cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-1940000000-51e0d426523f81faa98bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0009000000-caca1c7784ed9828dfb4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-0233e63233dadf52ffc5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0zfr-0952000000-13e1d438b3f800cfc18aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0209000000-89d7fc697d82018c1228Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0209000000-405d086d8e4de2b975b1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-1910000000-170b80b866f2075e44e9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0029000000-a9da21c499e339f09ac6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0493000000-14bbb49d59d91543a76eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0029000000-3458ddb4f7ba64eb81c8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-2950000000-7af67618c1e483bc5c5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0029000000-5c5079f946eecc20ce83Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-d1e6d6f6a6937dd377acNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0029000000-0dcf58d0e6f164b569d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0941000000-7a313c69bd6e0d87622dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0493000000-3a8e076774ff476e5c70Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-5614c0af08874eb755e9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0zfr-0952000000-436317609d943f52eb35Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0493000000-43039a705fffeb269894Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uxr-1940000000-c8d8e2a237649b2aeedcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0393000000-f8e052c96ded789f947fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0219000000-f426993f0f9cd5edf296Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0029000000-4592ce2f1e03377cd634Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-2e09f399258a6a3117b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-009215ac0bc79463584eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0bu0-1910000000-9e0901ee382321199583Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0941000000-5b62ed80ee80e228c364Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0219000000-dd9cd483959c6af16f33Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0209000000-0c62b4170aa85caf9463Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0941000000-175f8f7d2bbafd5df87dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0119000000-ac74256cc0892128502dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-9fed12e83e166a0fcafcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0119000000-f76021b13113ded2e8efNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0941000000-cb5749cdeb9bf18a7983Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0393000000-e922794249fbf06db4c1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0bta-1910000000-983d9df6bdaed3503333Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0019000000-bb7cbcffdd9f296b6b9bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0079000000-c73663231834b1b1b79aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uds-3790000000-3b8ca78684ffcba51bf1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0009000000-57dd2505d869c8f411dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0169000000-38b50b4081dff638023bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0frb-3890000000-3525a3f4676b6a964b71Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0009000000-d62fd723f87a4be02812Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0619000000-25e6628742f4ee658579Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fyc-1930000000-07f277c570e8d55ebcdeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0009000000-d4d9bcf99cd318117dc6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0009000000-c7f7d669dced7cd45bb6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gb9-1912000000-5e9f5f3f899c4ec71c5dNot 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
2671.0 Log mg/kg [1500:4700]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 EffectRelationshipDirectionReference
inflammation?has_therapeutic_effect_onNot AvailablePMC9785621
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
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 & cosmeticsNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
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
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 EquipmentNot Available
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 EquipmentNot Available
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 & cookwareNot Available
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 & cookwareNot Available
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 & cookwareNot Available
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 & cookwareNot Available
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 productsNot Available
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 productsNot Available
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 productsNot Available
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 processingNot Available
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementNot Available
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.Agriculture & land managementNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
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 managementNot Available
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 managementNot Available
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
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 managementNot Available
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
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 & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
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 & cosmeticsNot Available
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 & cosmeticsNot Available
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 & cosmeticsNot Available
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 & cosmeticsNot Available
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 & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
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 & furnishingsNot Available
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 managementNot Available
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementNot Available
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 processingNot Available
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 & ConstructionNot Available
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 productsNot Available
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 & furnishingsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
793
E-value
0.233548
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
88
E-value
0.155698
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
77
E-value
0.155698
Click to view 3D structureInositol hexakisphosphate kinase 2Q9UHH9HumansPredicted (SEA)
Prediction Confidence Score
0.738
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
13
E-value
0.155698
Xanthine dehydrogenase/oxidase structureClick to view 3D structureXanthine dehydrogenase/oxidaseP47989HumansPredicted (SEA)
Prediction Confidence Score
0.726
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
37
E-value
0.155698
Click to view 3D structureD-alanine--D-alanine ligaseQ1CTD3Helicobacter pylori (strain HPAG1)Predicted (SEA)
Prediction Confidence Score
0.721
Applicability Domain
0.721
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Aldo-keto reductase family 1 member C21 structureClick to view 3D structureAldo-keto reductase family 1 member C21Q91WR5Mus musculusPredicted (SEA)
Prediction Confidence Score
0.721
Applicability Domain
0.721
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Inositol polyphosphate multikinase structureClick to view 3D structureInositol polyphosphate multikinaseQ8NFU5HumansPredicted (SEA)
Prediction Confidence Score
0.706
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
6
E-value
0.155698
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.698
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
472
E-value
0.233548
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.698
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
242
E-value
0.233548
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.698
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
332
E-value
0.311397
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.698
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
407
E-value
0.233548
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.698
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
193
E-value
0.233548
Click to view 3D structure3-oxoacyl-acyl-carrier protein reductaseQ965D6Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.691
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
12
E-value
0.233548
Click to view 3D structureEnoyl-acyl-carrier protein reductaseQ965D5Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.678
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
18
E-value
0.233548
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)
Prediction Confidence Score
0.676
Applicability Domain
0.733
Statistical Significance
2.20e-04
Supporting Reference Compounds
139
E-value
1.71268
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.646
Applicability Domain
0.733
Statistical Significance
1.10e-04
Supporting Reference Compounds
241
E-value
0.856341
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)
Prediction Confidence Score
0.646
Applicability Domain
0.721
Statistical Significance
7.00e-05
Supporting Reference Compounds
84
E-value
0.544945
Multidrug resistance-associated protein 1 structureClick to view 3D structureMultidrug resistance-associated protein 1P33527HumansPredicted (SEA)
Prediction Confidence Score
0.635
Applicability Domain
0.721
Statistical Significance
2.00e-05
Supporting Reference Compounds
49
E-value
0.155698
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.622
Applicability Domain
0.721
Statistical Significance
0.0021
Supporting Reference Compounds
1274
E-value
16.0369
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.621
Applicability Domain
0.721
Statistical Significance
2.70e-04
Supporting Reference Compounds
553
E-value
2.10193
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P21447Mus musculusPredicted (SEA)
Prediction Confidence Score
0.62
Applicability Domain
0.733
Statistical Significance
2.00e-05
Supporting Reference Compounds
23
E-value
0.155698
Click to view 3D structureTyrosine-protein kinase transforming protein FpsP00530Fujinami sarcoma virusPredicted (SEA)
Prediction Confidence Score
0.614
Applicability Domain
0.614
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Short transient receptor potential channel 5 structureClick to view 3D structureShort transient receptor potential channel 5Q9UL62HumansPredicted (SEA)
Prediction Confidence Score
0.613
Applicability Domain
0.721
Statistical Significance
2.00e-05
Supporting Reference Compounds
21
E-value
0.155698
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.611
Applicability Domain
0.721
Statistical Significance
7.00e-05
Supporting Reference Compounds
109
E-value
0.544945
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0002655
FooDB IDFDB000604
Phenol Explorer ID318
KNApSAcK IDC00004635
BiGG IDNot Available
BioCyc IDCPD-8004
METLIN ID3445
PDB IDNot Available
Wikipedia LinkIsorhamnetin
Chemspider ID4444973
ChEBI ID6052
PubChem Compound ID5281654
Kegg Compound IDC10084
YMDB IDYMDB01720
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available