Ferulic acid (CED0001640)

Record Information
Version1.0
Creation Date2016-05-25 02:53:11 UTC
Update Date2026-04-14 17:04:02 UTC
SynCED IDCED0001640
Secondary Accession Numbers
  • CHEM021044
Identification
Common NameFerulic acid
ClassSmall Molecule
Description
Ferulic acid (C10H10O4) is a compound with an average molecular weight of 194.18 g/mol. Ferulic acid belongs to the hydroxycinnamic acids and derivatives, a subclass of cinnamic acids and derivatives within the organic compounds. It is categorized under the superclass of phenylpropanoids and polyketides. The compound serves as an industrial additive (PMC10048273 ) and acts as an antioxidant for both industrial and biological applications (PMC10048273 , PMC10224177 ). Ferulic acid has been recorded in 11 sources, including building and construction ceilings, electrical and electronic equipment coils, and household cleaning and consumer products such as soap dispensers. It is also found in food, food processing, and cookware, specifically in the preparation of vinegar, wort, malt, wine or sparkling wine, and molasses and the treatment of molasses. Biologically, ferulic acid targets 12 proteins, acting as an inhibitor of O-methyltransferase, Est1e, Endo-1,4-beta-xylanase Z (xynZ), and Endo-1,4-beta-xylanase Y (xynY). The compound is used as a treatment for skin cancer (PMC3595371 ) and exhibits therapeutic effects on cancer (PMC9786992 ), ischemic stroke (PMC8253632 ), inflammation (PMC13316579 ), and depression (PMC10831359 ).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acidChEBI
(e)-4'-Hydroxy-3'-methoxycinnamic acidChEBI
(e)-4-Hydroxy-3-methoxycinnamic acidChEBI
(e)-Ferulic acidChEBI
3-(4-Hydroxy-3-methoxyphenyl)propenoic acidChEBI
3-Methoxy-4-hydroxy-trans-cinnamic acidChEBI
4-Hydroxy-3-methoxycinnamic acidChEBI
trans-4-Hydroxy-3-methoxycinnamic acidChEBI
3-Methoxy-4-hydroxy-trans-cinnamateKegg
4-Hydroxy-3-methoxycinnamateKegg
(e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoateGenerator
(e)-4'-Hydroxy-3'-methoxycinnamateGenerator
(e)-4-Hydroxy-3-methoxycinnamateGenerator
(e)-FerulateGenerator
3-(4-Hydroxy-3-methoxyphenyl)propenoateGenerator
trans-4-Hydroxy-3-methoxycinnamateGenerator
trans-FerulateGenerator
FerulateGenerator
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoateHMDB
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acidHMDB
(e)-4-Hydroxy-3-methoxy-cinnamateHMDB
(e)-4-Hydroxy-3-methoxy-cinnamic acidHMDB
Ferulic acid, (e)-isomerMeSH, HMDB
Ferulic acid, monosodium saltMeSH, HMDB
Sodium ferulateMeSH, HMDB
Ferulic acid, (Z)-isomerMeSH, HMDB
8,8'-Diferulic acidMeSH, HMDB
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-acrylic acidHMDB
(2E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acidHMDB
(E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acidHMDB
Fumalic acidHMDB
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acidHMDB
3-Methoxy-4-hydroxycinnamic acidHMDB
4'-Hydroxy-3'-methoxycinnamic acidHMDB
Coniferic acidHMDB
Ferulaic acidHMDB
4’-Hydroxy-3’-methoxycinnamic acidPhytoBank
Chemical FormulaC10H10O4
Average Molecular Mass194.184 g/mol
Monoisotopic Mass194.058 g/mol
CAS Registry Number537-98-4
IUPAC Name(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Traditional Nameferulic acid
SMILESCOC1=C(O)C=CC(\C=C\C(O)=O)=C1
InChI IdentifierInChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChI KeyKSEBMYQBYZTDHS-HWKANZROSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
Sub ClassHydroxycinnamic acids and derivatives
Direct ParentHydroxycinnamic acids
Alternative Parents
Substituents
  • Cinnamic acid
  • Coumaric acid or derivatives
  • Hydroxycinnamic acid
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Styrene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Ether
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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 Effects
  • yellow colour ?
  • red colour ?
  • bitter taste ?
  • light brown colour ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.91 g/LALOGPS
logP1.58ALOGPS
logP1.67ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)3.77ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity51.5 m³·mol⁻¹ChemAxon
Polarizability19.18 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 Spectrumsplash10-05g4-1978000000-1097d5b300514a0489dfNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kv-2964000000-3d20d62c97c33247cfcfNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00ku-1965000000-ebee2a916fe97f0270a1Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9654000000-b3f1759076cffd2ac235Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-000m-3975000000-5a41c311d78f7219474cNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0006-1900000000-5dffac87fe7c815de4ceNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0006-2900000000-8db541bacfe47b9e0c8bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0006-2900000000-a338415bd30d4e62e664Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-05g4-1978000000-1097d5b300514a0489dfNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kv-2964000000-3d20d62c97c33247cfcfNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00ku-1965000000-ebee2a916fe97f0270a1Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9654000000-b3f1759076cffd2ac235Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-000m-3975000000-5a41c311d78f7219474cNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kv-1954000000-9dae07505bd18466be87Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-002e-0900000000-d76b7991f2d90cb58bd5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00di-6094000000-b805979df23a0d890d7cNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-d193da7a6efffdab2dbbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kr-7900000000-b5b8d28b28c8067c3932Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-9000000000-d3616a5367a7a2a9b3c6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-1900000000-5dffac87fe7c815de4ceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-c173873ef0d975be6c34Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-0b9174ecaba08b2f01b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1900000000-eff77e27aef254928643Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001r-9700000000-18946fad05ffb1f78a7dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001r-9300000000-e2221a73d3d078bf6e03Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-653c9a454414dd8b8b50Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-0900000000-62b2ee8bf9571be3d97fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-a7cded21e6010eb8bce2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-c173873ef0d975be6c34Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-0b9174ecaba08b2f01b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1900000000-eff77e27aef254928643Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001r-9700000000-18946fad05ffb1f78a7dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001r-9300000000-e2221a73d3d078bf6e03Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-a7cded21e6010eb8bce2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-0900000000-cdced9ddbcdaedf2f1b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-0900000000-df06f7f58486ac25c21bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-653c9a454414dd8b8b50Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-0900000000-62b2ee8bf9571be3d97fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-0900000000-1ef88466d8544694f557Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-0900000000-bb82c87030f6232d5663Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-2921111101-6d1aa599f0f132a3695dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-2900000000-54e030478ebd0669dcadNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-3900000000-a20c7ceb084cb051025aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-9200000000-1eecf7b73f44560d3691Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000b-9100000000-503ab4ff1b1893d8f0b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9100000000-58c8a626f8f73e11f9d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-42460ab3efd7bf569764Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-9100000000-ec4866de1afc23da960fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-2d9d7bcc68d89ce894e9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-85d277f059568d29c2cdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-0900000000-41c842059508402a8f5bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-27925b82659df701fa2eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-003r-0900000000-7be05860ce4e88d07007Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004s-3900000000-ee07c2d3bbbcf414f5d0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-6900000000-74e5a56c9761e3f13563Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01q9-0900000000-edf4a436007e6bc0ac2dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0019-9400000000-a2eefac504fb400ff9c1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-7900000000-1d0db005e971d2433a3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-b7db6b82e7837cf08421Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-ff57a3546db5bca6c318Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1900000000-7d1178c68d028103275bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-4900000000-739aacf6b01caaa4fb03Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-3262eed1e35d62c77c67Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-05178094daed7d166124Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-d4ea940ff1ee9370dddeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014r-3900000000-b4d38787a698dd2e8f86Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-de02d9c3ed44f5450c1dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-0900000000-e5ce131dadf42a085e9eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-f61d97f4a01c3b9eb8e0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-9000000000-ed6c46fd36e324fa67caNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-539e0c5b9fb577c15033Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-38cbb7d8d39e0fc886e4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0019-8900000000-78e482174fad59c71602Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-e9c99a2252605dd0d2aeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-44cb03a63b281ebbe56bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-19d564ece8eb82d4a0a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-066r-0900000000-88de57e70bfdcb7306e1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-1900000000-7fcc4e1ed377455d2cd1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-0900000000-91c39ac80d44830d8b9cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-0900000000-6b5a9c3bfa7821bdcb73Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-0b80784aa78b9d4840f7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-0900000000-dfded039c87025f2f4dfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kb-2900000000-5d480c34b6ad2da28393Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kr-9800000000-c705c7e7b8284491ecdfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002b-0900000000-434fdd914ca34cd68f41Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-0dcbcad8bf6cb403f4f8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0g31-5900000000-4fa9ed831b4e0d1573e5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0900000000-29c8691e15490f8d88acNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0900000000-e940f09e099b7acf3772Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00o1-1900000000-ee61087a069406e459c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-6cb017e3a1cb38423865Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-3a58e291546ea32cc7d5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056s-4900000000-3576196ad0476b476acfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0900000000-2fa9e8d678128231534eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0900000000-27b82627b16f6f236f1dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-2900000000-5c61e35c78405b81890bNot AvailableView Spectrum
MSMS Spectrumsplash10-0006-5900000000-8c81de6c352294475072Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3191.0 Log mg/kg [1800:5700]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
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC13316579
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.PMC9786992 , PMC7126989
Alzheimer's diseaseHas Therapeutic Effect OnNot AvailableA neurodegenerative disease which causes neural atrophy, leading to dementia and memory loss.PMC2835915
breast cancerHas Therapeutic Effect OnNot AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC11525408 , PMC11525408
colorectal cancerHas Therapeutic Effect OnNot AvailableA large intestine cancer that is located in the colon and/or located in the rectum. (DO)PMC11525408
ischemic strokeHas Therapeutic Effect OnNot AvailableNot AvailablePMC8253632
Hepatocellular carcinomaNot AvailableNot AvailableA liver carcinoma that has material basis in undifferentiated hepatocytes. (DO)PMC10825481
colon cancerHas Therapeutic Effect OnNot AvailableNot AvailablePMC11525408 , PMC8304211
depressionHas Therapeutic Effect OnNot AvailableNot AvailablePMC10831359
obesityHas Therapeutic Effect OnNot AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC7149453
cognitive impairmentHas Therapeutic Effect OnNot AvailableNot AvailablePMC9143627
hyperglycemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by laboratory test results that indicate an elevation in the concentration of blood sugar. It is usually an indication of diabetes mellitus or glucose intolerance. (NCI CTCAE)PMC11525408
skin cancerNot AvailableNot AvailableNot AvailablePMC3595371 , PMC11022389
epilepsyHas Therapeutic Effect OnNot AvailableA brain disease that is characterized by the occurrance of at least two unprovoked seizures resulting from a persistent epileptogenic abnormality of the brain that is able to spontaneously generate paroxysmal activity and typically manifested by sudden brief episodes of altered or diminished consciousness, involuntary movements, or convulsions. (DO)PMC9143627
Parkinson's diseaseHas Therapeutic Effect OnNot AvailableA long-term degenerative disorder of the central nervous system that mainly affects the motor system. The symptoms generally come on slowly over time.PMC11945475
Toxic encephalopathyHas Therapeutic Effect OnNot AvailableNot AvailablePMC12942783
Cell DeathAssociated With?Not AvailableNot AvailablePMC6433817
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC9966914 , PMC11938325
DNA DamageHas Therapeutic Effect OnNot AvailableNot AvailablePMC11938325
DNA FragmentationHas Therapeutic Effect OnNot AvailableNot AvailablePMC7807371
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 , PMC6715655
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
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
CEDs000508Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.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
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
CEDs000564Soap Dispensers?Soap dispensers, commonly used for dispensing liquid soaps and sanitizers, can become a source of synthetic chemical contamination due to the materials used in their construction and the products they dispense.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
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000584Buoys?Buoys, often used for navigation and marine monitoring, can be sources of synthetic chemical contamination due to the materials and coatings employed in their construction.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
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
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000635Buttons?Buttons, often made from synthetic materials such as polyester, nylon, or polycarbonate, can be a source of synthetic chemical contamination during their production, use, and disposal.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000658Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.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
CEDs000670Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.Fire suppression systems & agentsPubChem
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
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
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.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
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
CEDs00756BarleyAgriculture & land managementPMC13096391
CEDs00782RhizosphereAgriculture & land managementPMC7356623 , PMC5980984
CEDs00786Corn StoverAgriculture & land managementPMC12703426 , PMC12703426
CEDs00801StrawAgriculture & land managementPMC10818928
CEDs00819Maize BranAgriculture & land managementPMC2835915 , PMC12388069
CEDs00824Corn BranAgriculture & land managementPMC7356249 , PMC11765362
CEDs00836Rhizospheric SoilAgriculture & land managementPMC12413057 , PMC12413057
CEDs00837Rhizosphere SoilAgriculture & land managementPMC8851204 , PMC8851204
CEDs00857Agricultural BiomassAgriculture & land managementPMC5772227
CEDs00858Corn HusksAgriculture & land managementPMC9717738
CEDs00860Sorghum GrainAgriculture & land managementPMC9241265 , PMC8353607
CEDs00863Corn FiberAgriculture & land managementPMC10991675 , PMC10991675
CEDs00914Rhizosphere SoilsAgriculture & land managementPMC6017069 , PMC6017069
CEDs01090Pharmaceutical ProductsHealthcare, pharmaceuticals & veterinary productsPMC5785760
CEDs01143DietFood, food processing & cookwarePMC8472784 , PMC11273498
CEDs01144FoodFood, food processing & cookwarePMC12478143
CEDs01145BeveragesFood, food processing & cookwarePMC4712325
CEDs01147BeerFood, food processing & cookwarePMC6515478 , PMC6515478
CEDs01149Rice OilFood, food processing & cookwarePMC5084320
CEDs01151FruitsFood, food processing & cookwarePMC9786992 , PMC9564240
CEDs01153Breast MilkFood, food processing & cookwarePMC10899372 , PMC10899372
CEDs01158Wheat BranFood, food processing & cookwarePMC3658901 , PMC10216419
CEDs01159Wheat StrawFood, food processing & cookwarePMC12430523 , PMC11580001
CEDs01160CerealsFood, food processing & cookwarePMC4670692 , PMC10206224
CEDs01161Cereal GrainsFood, food processing & cookwarePMC6480078 , PMC10224177
CEDs01177BreadFood, food processing & cookwarePMC11963836
CEDs01183WheatFood, food processing & cookwarePMC10606821 , PMC6332213
CEDs01187RiceFood, food processing & cookwarePMC10818928 , PMC9336675
CEDs01189ChocolateFood, food processing & cookwarePMC6245372
CEDs01198HoneyFood, food processing & cookwarePMC2712839 , PMC9143627
CEDs01200VegetablesFood, food processing & cookwarePMC4670692 , PMC9786992
CEDs01201DietsFood, food processing & cookwarePMC4712325
CEDs01208FruitFood, food processing & cookwarePMC9854589
CEDs01215Beer SamplesFood, food processing & cookwarePMC6515478
CEDs01224Brown RiceFood, food processing & cookwarePMC6270324 , PMC4377434
CEDs01229Wheat GrainsFood, food processing & cookwarePMC12015812
CEDs01231WinesFood, food processing & cookwarePMC7560058
CEDs01238Functional FoodsFood, food processing & cookwarePMC8773403
CEDs01246Citrus FruitsFood, food processing & cookwarePMC4670692
CEDs01248Wheat FlourFood, food processing & cookwarePMC3397539 , PMC11052053
CEDs01256Rice HuskFood, food processing & cookwarePMC11513767 , PMC9143893
CEDs01302WineFood, food processing & cookwarePMC6480299 , PMC10707828
CEDs01303Rice BranFood, food processing & cookwarePMC7356249 , PMC11765362
CEDs01317Sugar Beet PulpFood, food processing & cookwarePMC7356249 , PMC12388069
CEDs01337Green Tea ExtractFood, food processing & cookwarePMC5874576
CEDs01382Black Rice BranFood, food processing & cookwarePMC11011668
CEDs01471Dietary FiberFood, food processing & cookwarePMC4254073 , PMC6259562
CEDs01608Yak MeatFood, food processing & cookwarePMC9564240
CEDs01643Honeydew HoneysFood, food processing & cookwarePMC11275487
CEDs01741Cereal BranFood, food processing & cookwarePMC12345998
CEDs01756Zucchini FruitFood, food processing & cookwarePMC9854589
CEDs01984Agro-industrial By-productsIndustrial manufacturing & chemical processingPMC13304128
CEDs02093Agricultural WasteWaste management, landfill & incinerationPMC10534146
CEDs02115Agricultural WastesWaste management, landfill & incinerationPMC10818928
CEDs02134Lignocellulosic WasteWaste management, landfill & incinerationPMC12430523
CEDs02255WaterAquatic systems & sedimentsPMC12703459 , PMC12703459
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Hexokinase-4 structureClick to view 3D structureHexokinase-4P35557HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A1P22309HumansKnownNot Available
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansKnownNot Available
Insulin receptor structureClick to view 3D structureInsulin receptorP06213HumansKnownNot Available
Click to view 3D structureFlavin-containing monooxygenase 5P49326HumansKnownNot Available
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.695
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
372
E-value
0.311397
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.695
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
242
E-value
0.233548
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.695
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
151
E-value
0.155698
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.689
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
332
E-value
0.311397
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.665
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
472
E-value
0.311397
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.665
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
407
E-value
0.389246
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.646
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
172
E-value
0.233548
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.646
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
165
E-value
0.155698
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.626
Applicability Domain
0.788
Statistical Significance
6.00e-05
Supporting Reference Compounds
182
E-value
0.467095
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.618
Applicability Domain
0.743
Statistical Significance
5.00e-05
Supporting Reference Compounds
109
E-value
0.389246
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansKnownNot Available
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.595
Applicability Domain
0.743
Statistical Significance
5.00e-05
Supporting Reference Compounds
157
E-value
0.389246
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.569
Applicability Domain
0.743
Statistical Significance
6.90e-04
Supporting Reference Compounds
315
E-value
5.3716
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)
Prediction Confidence Score
0.559
Applicability Domain
0.788
Statistical Significance
1.60e-04
Supporting Reference Compounds
29
E-value
1.24559
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)
Prediction Confidence Score
0.557
Applicability Domain
0.788
Statistical Significance
1.00e-05
Supporting Reference Compounds
19
E-value
0.0778492
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)
Prediction Confidence Score
0.557
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
38
E-value
0.389246
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)
Prediction Confidence Score
0.544
Applicability Domain
0.743
Statistical Significance
1.80e-04
Supporting Reference Compounds
84
E-value
1.40129
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)
Prediction Confidence Score
0.531
Applicability Domain
0.743
Statistical Significance
4.50e-04
Supporting Reference Compounds
126
E-value
3.50322
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.529
Applicability Domain
0.743
Statistical Significance
0.0087
Supporting Reference Compounds
1301
E-value
67.651
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
0.743
Statistical Significance
0.0018
Supporting Reference Compounds
292
E-value
13.8572
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.517
Applicability Domain
0.711
Statistical Significance
2.10e-04
Supporting Reference Compounds
78
E-value
1.63483
Click to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P16232Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.503
Applicability Domain
0.788
Statistical Significance
2.00e-05
Supporting Reference Compounds
21
E-value
0.155698
Stromal cell-derived factor 1 structureClick to view 3D structureStromal cell-derived factor 1P48061HumansPredicted (SEA)
Prediction Confidence Score
0.501
Applicability Domain
0.711
Statistical Significance
7.00e-05
Supporting Reference Compounds
9
E-value
0.544945
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)
Prediction Confidence Score
0.488
Applicability Domain
0.743
Statistical Significance
5.70e-04
Supporting Reference Compounds
139
E-value
4.43741
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)
Prediction Confidence Score
0.485
Applicability Domain
0.788
Statistical Significance
4.20e-04
Supporting Reference Compounds
76
E-value
3.26967
Aryl hydrocarbon receptor structureClick to view 3D structureAryl hydrocarbon receptorP35869HumansKnownNot Available
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.484
Applicability Domain
0.743
Statistical Significance
9.60e-04
Supporting Reference Compounds
241
E-value
7.47353
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB07767
HMDB IDHMDB0000954
FooDB IDFDB012802
Phenol Explorer ID499
KNApSAcK IDC00002743
BiGG IDNot Available
BioCyc IDFERULIC-ACID
METLIN ID4156
PDB IDNot Available
Wikipedia LinkFerulic_Acid
Chemspider ID393368
ChEBI ID17620
PubChem Compound ID445858
Kegg Compound IDC01494
YMDB IDYMDB01325
ECMDB IDM2MDB005580
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available