Exact Mass: 296.0743
Exact Mass Matches: 296.0743
Found 500 metabolites which its exact mass value is equals to given mass value 296.0743,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Enilconazole
Imazalil is a slightly yellow to brown solidified oil. Non-corrosive. Used as a fungicide. 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole is a member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group. It is a member of imidazoles, an ether and a dichlorobenzene. Enilconazole is a natural product found in Ganoderma lucidum with data available. Enilconazole (synonyms imazalil, chloramizole) is a fungicide widely used in agriculture, particularly in the growing of citrus fruits. Trade names include Freshgard, Fungaflor, and Nuzone. Enilconazole is an Agricultural fungicide Enilconazole is a fungicide widely used in agriculture, particularly in the growing of citrus fruits. It is also called Imazalil, Chloramizole, Freshgard, Fungaflor, and Nuzone C254 - Anti-Infective Agent > C514 - Antifungal Agent D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; INTERNAL_ID 924; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7952; ORIGINAL_PRECURSOR_SCAN_NO 7950 CONFIDENCE standard compound; INTERNAL_ID 924; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8037; ORIGINAL_PRECURSOR_SCAN_NO 8036 CONFIDENCE standard compound; INTERNAL_ID 924; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7940; ORIGINAL_PRECURSOR_SCAN_NO 7936 CONFIDENCE standard compound; INTERNAL_ID 924; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7963; ORIGINAL_PRECURSOR_SCAN_NO 7962 CONFIDENCE standard compound; INTERNAL_ID 924; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7958; ORIGINAL_PRECURSOR_SCAN_NO 7957 CONFIDENCE standard compound; INTERNAL_ID 924; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7890; ORIGINAL_PRECURSOR_SCAN_NO 7888 CONFIDENCE standard compound; INTERNAL_ID 8782 CONFIDENCE standard compound; INTERNAL_ID 2858 CONFIDENCE standard compound; INTERNAL_ID 4009 Imazalil (Enilconazole) is a fungicide, widely used in agriculture, particularly in the growing of citrus fruits, also used in veterinary medicine as a topical antimycotic.
disulfiram
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AA - Sulfur containing products N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BB - Drugs used in alcohol dependence C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D065086 - Acetaldehyde Dehydrogenase Inhibitors D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C1744 - Multidrug Resistance Modulator C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Disulfiram (Tetraethylthiuram disulfide) is a specific inhibitor of?aldehyde-dehydrogenase (ALDH1), used for the treatment of chronic alcoholism by producing an acute sensitivity to alcohol. Disulfiram inhibits gasdermin D (GSDMD) pore formation in liposomes and inflammasome-mediated pyroptosis and IL-1β secretion in human and mouse cells. Disulfiram, a copper ion carrier,?with?Cu2+ increases intracellular ROS levels and induces cuproptosis[1][2][3][4][5][6].
Caffeoylmalic acid
Isolated from leaves of French bean (Phaseolus vulgaris) and from Trifolium pratense (red clover). L-Malic acid caffeate is found in many foods, some of which are yellow wax bean, herbs and spices, tea, and pulses. Caffeoylmalic acid is found in common bean. Caffeoylmalic acid is isolated from leaves of French bean (Phaseolus vulgaris) and from Trifolium pratense (red clover
Aspulvinone E
A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.
4-Nitrophenyl-3-ketovalidamine
Calophyllin B
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 5 and a prenyl group at position 6.
Disulfiram
A carbamate derivative used as an alcohol deterrent. It is a relatively nontoxic substance when administered alone, but markedly alters the intermediary metabolism of alcohol. When alcohol is ingested after administration of disulfiram, blood acetaldehyde concentrations are increased, followed by flushing, systemic vasodilation, respiratory difficulties, nausea, hypotension, and other symptoms (acetaldehyde syndrome). It acts by inhibiting aldehyde dehydrogenase. [PubChem] P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AA - Sulfur containing products N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BB - Drugs used in alcohol dependence C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D065086 - Acetaldehyde Dehydrogenase Inhibitors D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C1744 - Multidrug Resistance Modulator C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Disulfiram (Tetraethylthiuram disulfide) is a specific inhibitor of?aldehyde-dehydrogenase (ALDH1), used for the treatment of chronic alcoholism by producing an acute sensitivity to alcohol. Disulfiram inhibits gasdermin D (GSDMD) pore formation in liposomes and inflammasome-mediated pyroptosis and IL-1β secretion in human and mouse cells. Disulfiram, a copper ion carrier,?with?Cu2+ increases intracellular ROS levels and induces cuproptosis[1][2][3][4][5][6].
4'-Hydroxy-R-phenprocoumon
4-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
cis-Coutaric acid
Constituent of grapes and wines. cis-Coutaric acid is found in alcoholic beverages, fruits, and common grape. cis-Coutaric acid is found in alcoholic beverages. cis-Coutaric acid is a constituent of grapes and wines
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices.
8-Hydroxy-R-phenprocoumon
8-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
2-O-Feruloyltartronic acid
2-O-Feruloyltartronic acid is found in pulses. 2-O-Feruloyltartronic acid is a constituent of Vigna radiata (mung bean). Constituent of Vigna radiata (mung bean). 2-O-Feruloyltartronic acid is found in pulses.
Dimethylstrobochrysin
Dimethylstrobochrysin is found in tea. Dimethylstrobochrysin is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Dimethylstrobochrysin is found in tea.
6-Hydroxy-R-phenprocoumon
6-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
7-Hydroxy-R-phenprocoumon
7-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
N-Methoxyspirobrassinol methyl ether
N-Methoxyspirobrassinol methyl ether is found in brassicas. N-Methoxyspirobrassinol methyl ether is a stress metabolite from Japanese daikon radish inoculated with Pseudomonas cichorii. Stress metabolite from Japanese daikon radish inoculated with Pseudomonas cichorii. N-Methoxyspirobrassinol methyl ether is found in brassicas and radish.
Desmosflavone
Desmosflavone is found in tea. Desmosflavone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Desmosflavone is found in tea.
Gyrocyanin
Gyrocyanin is found in mushrooms. Gyrocyanin is a constituent of the mushroom Gyroporus cyanescens (cornflower bolete). Constituent of the mushroom Gyroporus cyanescens (cornflower bolete). Gyrocyanin is found in mushrooms.
Demethoxyegonol
Demethoxyegonol is found in mushrooms. Demethoxyegonol is produced by Laetiporus sulphureus var. miniatu
Tyrosyl-Aspartate
Tyrosyl-Aspartate is a dipeptide composed of tyrosine and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-Tyrosine
Aspartyl-Tyrosine is a dipeptide composed of aspartate and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
DHAP(8:0)
DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. [HMDB] DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts.
1,4-Benzothiazine-O-quinonimine
1,4-Benzothiazine-o-quinonimine is a reaction intermediate of oxidation of quinonimine. [HMDB] 1, 4-benzothiazine-o-quinonimine is a reaction intermediate of oxidation of quinonimine.
Trifluridine
Trifluridine is only found in individuals that have used or taken this drug. It is an antiviral derivative of thymidine used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to herpes simplex virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557)The mechanism of action of trifluridine has not been fully determined, but appears to involve the inhibition of viral replication. Trifluridine does this by incorporating into viral DNA during replication, which leads to the formation of defective proteins and an increased mutation rate. This drug also reversibly inhibits thymidylate synthetase, an enzyme that is necessary for DNA synthesis. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites Trifluridine (Trifluorothymidine) is an irreversible and orally active thymidylate synthase inhibitor, and thereby suppressing DNA synthesis. Trifluridine is an antiviral molecule used for research of HSV, rhabdovirus and orthopoxvirus infection. Trifluridine induces cell apoptosis and autophagy. Trifluridine is also an anticancer agent used in studies of metastatic colorectal cancer, gastrointestinal tumors[1][2][3][4].
5,5',6,6'-Tetrahydroxy-3,3'-biindolyl
3,3-Bi-1H-indole-5,5,6,6-tetrol is found in root vegetables. 3,3-Bi-1H-indole-5,5,6,6-tetrol is a constituent of beetroot peel, Beta vulgaris. A polyphenol compound found in foods of plant origin (PhenolExplorer).
N-Acetyldjenkolic acid
N-Acetyldjenkolic acid is isolated from Acacia farnesiana (sweet acacia
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione is an alkaloid from the wood of Quassia amara (Surinam quassia).
4-Carboxynevirapine
4-Carboxynevirapine is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)
Phenytoin methylcatechol
Phenytoin methylcatechol is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
1-iodo-2-methylundecane
1-iodo-2-methylundecane is classified as a member of the Organoiodides. Organoiodides are compounds containing a chemical bond between a carbon atom and an iodine atom
Penicillamine disulfide
Bentazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Flunixin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
Taltrimide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
Anhydropisatin
Anhydropisatin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, anhydropisatin is considered to be a flavonoid lipid molecule. Anhydropisatin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Anhydropisatin can be found in common pea, which makes anhydropisatin a potential biomarker for the consumption of this food product.
gamma-Aminobutyric acid-betaxanthin
(1alpha,3beta,5beta)-(-)-2-(3-Bromo-2,2,5-trimethylcyclopentyl)-5-methylphenol
Mono-trans-p-coumaroylmesotartaric acid
4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
4-[(2S,3S)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
Flunixin Meglumine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics CONFIDENCE standard compound; INTERNAL_ID 1148
6-ethoxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
Danshenxinkun A
Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1]. Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1].
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate
7-hydroxy-5-methoxy-6,8-dimethylflavone
A monohydroxyflavone that is flavone substituted by a hydroxy group at position 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
[1,4-bis(4-hydroxyphenyl)-2,3-dimethyl-2-butene-1,4-dione]
7-[2-(4-carboxybuta-1,3-dienyl)phenyl]hepta-2,4,6-trienoic acid
(7S,8R)-2,4-dihydroxy-7,3-epoxy-8,4-oxyneolign-7-yne|4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-carbaldehyde
2-(4-Hydroxy-2-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(4-Hydroxy-2-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
(1S*,2R*,4R*,5R*,6R*,8R*)-4-bromo-2,5,6-trimethyl-11-methylenetricyclo<6.2.1.01,6>undecan-3-one|(1S*,2R*,4R*,5R*,6R*,8R*)-4-bromo-2,5,6-trimethyl-11-methylenetricyclo[6.2.1.01,6]undecan-3-one
(3E)-2,3-dihydro-7-methoxy-3-[(4-methoxyphenyl)-methylene]-4H-1-benzopyran-4-one|(E)-7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxy-benzylidene)-chroman-4-one|7-methoxy-bonducellin|7-O-methyl-bonducellin|7-O-methylbonducellin
1-(1-chloroethyl)-4-oxocyclopent-2-enyl 3-(3-oxocyclopent-1-enyl)propanoate|trichodermone B
3,8-Dimethoxy-5H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole
(2S)-2-[(beta-D-Glucopyranosyl)oxy]butanedioic acid
(E)-2-(2,4-dihydroxyphenyl)-7-methoxy-5-(1-propenyl)benzofuran|2-Hydroxy,7-Methoxy-2-(4-Hydroxyphenyl)-5-(1-propenyl)-benzofuran|2-(2,4-dihydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran
7-hydroxy-3-[6-hydroxyphenyl-2-oxo-ethyl]chromone|terminalianone
2-ethyl-1-hydroxy-8-methoxy-3-methyl-9,10-anthraquinone|2-ethyl-1-hydroxy-8-methoxy-3-methylanthraquinone
(S)-methyl 2-(4-oxo-2-phenylchroman-5-yl)acetate|cryptogione B
(+)-methyl 3-acetoxy-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromone|quinanone A
2-(3-Methoxy-4-hydroxyphenethyl)-4H-1-benzopyran-4-one
2-(2-Hydroxy-4-methoxyphenethyl)-4H-1-benzopyran-4-one
(rel-1S,2R,6R,8S,9R)-8-bromo-2,5,6,9-tetramethyltricyclo[7.2.0.01,6]undec-4-en-3-one
5,7-dimethoxy-6-(1,2,3-trihydroxypropyl)-2H-1-benzopyran-2-one
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propenyl ester
Di-Me ether-2,7-Dihydroxy-1,6-dimethyl-9,10-anthraquinone
6-O-(1-L-maloyl)-alpha/beta-D-glucopyranose|veracylglucan A
2-(2,6-dihydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuran
6-hydroxy-3,3-dimethyl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one|Cordato-oblonguxanthon
(+)-morrisonicolanin|(E)-3-[(2S,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-3-hydroxymethyl-1-benzo[b]furan-5-yl]-2-propenal
6-(2-Hydroxy-3-methyl-3-chlorobutyl)-7-methoxy-2H-1-benzopyran-2-one
2-(2-hydroxy-4-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(2-Hydroxy-4-methoxyphenyl)-5-(3-hydroxy-1-propenyl)benzofuran|2-(2-hydroxy-4-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
Flunixine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3685 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
6-Ethoxy-3(4-hydroxyphenyl)-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.172 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.170
(2-Oxo-2H-chromen-7-yloxy)-phenyl-acetic acid
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-chromen-2-one
MLS001076475-01!TETRAETHYLTHIURAM DISULFIDE97-77-8
Aspulvinone E - Yellow pigment - Found in Aspergillus
methyl 2-[(3-formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoate
OCP_297.1002_16.5
CONFIDENCE Identification confirmed with Reference Standard (Level 1); INTERNAL_ID 1302
Imazalil
Imazalil (Enilconazole) is a fungicide, widely used in agriculture, particularly in the growing of citrus fruits, also used in veterinary medicine as a topical antimycotic.
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate_major
Trifluridine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites Trifluridine (Trifluorothymidine) is an irreversible and orally active thymidylate synthase inhibitor, and thereby suppressing DNA synthesis. Trifluridine is an antiviral molecule used for research of HSV, rhabdovirus and orthopoxvirus infection. Trifluridine induces cell apoptosis and autophagy. Trifluridine is also an anticancer agent used in studies of metastatic colorectal cancer, gastrointestinal tumors[1][2][3][4].
Asp-tyr
A dipeptide composed of L-aspartic acid and L-tyrosine joined by a peptide linkage.
N-Acetyldjenkolic acid
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione
N-Methoxyspirobrassinol methyl ether
3-(Dimethylamino)-1-(10H-phenothiazin-2-yl)-2-propen-1-one
1-(4-(trifluoromethoxy)phenyl) piperazin-2-one hydrochloride
2-(6-CHLORO-4-ETHYL-2-OXO-2H-CHROMEN-7-YLOXY)-PROPIONIC ACID
2-(5-bromo-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(R)-1-(3-(6-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOL-2-YL)ISOXAZOL-5-YL)ETHANAMINE
5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE
Octamethylcyclotetrasiloxane
D001697 - Biomedical and Dental Materials D007155 - Immunologic Factors
2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid
1-BENZYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE
Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate
(6R,7R)-7-Amino-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
1-(5-Aminopentyl)-1H-pyrrole-2,5-dione 2,2,2-trifluoroacetate
2-(3-methoxycarbonylphenyl)-3H-benzimidazole-5-carboxylic acid
(4-(BENZYLOXY)-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
[[4-(4-diazonioimino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
3-(4-METHOXYPHENYL)-5-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
(3-Chloro-4-Methoxycarbonyl)Benzeneboronic Acid Pinacol Ester
5-BROMO-3-METHYL-N-CYCLOHEXYLPYRIDINE-2-CARBOXAMIDE
2,4-DIOXO-4-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRIC ACID METHYL ESTER
methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-[4-(3-TRIFLUOROMETHOXY-PHENOXY)-PHENYL]-ETHANONE
1-[4-(4-TRIFLUOROMETHOXY-PHENOXY)-PHENYL]-ETHANONE
3-(4-ACETYL-PHENYL)-2-MERCAPTO-3H-QUINAZOLIN-4-ONE
sodium,2-hydroxypropyl prop-2-enoate,prop-2-enoate,prop-2-enoic acid
Benzo[b]thiophene-2-carboximidamide, 6-(benzoyloxy)-
1-(3-(TRIFLUOROMETHOXY)PHENYL) PIPERAZIN-2-ONE HYDROCHLORIDE
1-[7-AMINO-5-(2-BROMOPROPYL)-2,3-DIHYDRO-1H-INDOL-1-YL]ETHANONE
5-(3,4-DIMETHOXYBENZYL)PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE
(1-(N,N-DIMETHYLSULFAMOYL)-3-(PYRIDIN-2-YL)-1H-PYRAZOL-4-YL)BORONIC ACID
4-bromo-2-((cyclohexyl(methyl)amino)methyl)aniline
5-(4-METHOXYPHENYL)-3-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methanamine,dihydrochloride
tert-butoxycarbonylamino-(4-nitro-phenyl)-acetic acid
Ethyl 4-[2-(methylsulfonyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-car boxylate
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
2-[(3-METHYLBENZO[B]THIOPHEN-2-YL)CARBONYL]BENZOIC ACID
2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
2,4,6-Cycloheptatrien-1-one,3-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]-2-hydroxy-
(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)boronic acid
ethyl 4-chloro-6,7-dimethoxyquinazoline-2-carboxylate
4-((3-AMINOBENZO[E][1,2,4]TRIAZIN-7-YL)OXY)-N-METHYLPICOLINAMIDE
3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-5-FLUOROBENZONITRILE
2,6-Diamino-4-pyrimidinyl p-Toluenesulfonate 3-Oxide
4,5-Dihydro-alpha,alpha,3-trimethyl-5-oxo-1-phenyl-1H-pyrazole-4-methanesulfonic acid
2,3-dimethyl-6-(4-(trifluoromethyl)phenyl)imidazo[2,1-b]thiazole
2-Deoxy-2,2-difluoro-D-erythro-pentofuranose triacetate
1-Benzyl-2,3-dihydro-1H-indol-6-ylamine dihydrochloride
N-[4-[(4-nitrophenyl)diazenyl]phenyl]prop-2-enamide
2-(4-(TERT-BUTOXYCARBONYLAMINO)-2-NITROPHENYL)ACETIC ACID
9,10-difluoro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline,dihydrochloride
2-(5,6-dihydroxy-1H-indol-2-yl)-1H-indole-5,6-diol
[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]hydrazine
1,3-Dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester
4-[(3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
1-(2,7-Dimethyl-3-imidazo[1,2-a]pyridinyl)-2-(phenylthio)ethanone
4-(4-(2-Chlorophenyl)-1-piperazinyl)-4-oxobutanoic acid
7-(Aminomethyl)-6-(2-Chlorophenyl)-1-Methyl-1h-Benzimidazole-5-Carbonitrile
Bentazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
gamma-Aminobutyric acid-betaxanthin
(R)-4-phosphonatopantothenate(3-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(3-Carboxy-5-hydroxy-2H-1,4-benzothiazine-7-yl)alanine
3-(3-Carboxy-5-hydroxy-2H-1,4-benzothiazine-8-yl)alanine
2-(5,6-dihydroxy-1H-indol-4-yl)-1H-indole-5,6-diol
2-(5,6-dihydroxy-1H-indol-7-yl)-1H-indole-5,6-diol
(2S)-2-hydroxy-4-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
3-[3-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]propanoyl]benzoic acid
[(2R,3S,4R,5R)-5-(4-amino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
Isoaspulvinone E
A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts an E-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.
4-[[5-(1-Naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]-2-butyn-1-ol
2-[(4-Oxo-2-phenyl-1-benzopyran-3-yl)oxy]acetic acid
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
4-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
2-[3-(Formylamino)-2-hydroxybenzoylamino]-3-hydroxybutanoic acid methyl ester
(2R,3S)-cis-coutaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-coumaric acid with one of the hydroxy groups of meso-tartaric acid.
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one
4-Methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
N-[(E)-(3-phenyl-4-pyrazolylidene)methyl]-2-thiophenecarbohydrazide
[(3aR,4S,9bS)-8-bromo-5-methyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4R,9bR)-8-bromo-5-methyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
Methyl 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetate
7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid
A member of the class of benzothiazines that is 2H-1,4-benzothiazine-3-carboxylic acid bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively.
6-(4-Ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-Ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[(2R,3S,4R)-5-(4-amino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
2-[(2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetic acid
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2H-chromen-2-one
1-iodo-2-methylundecane
An iodoalkane that is undecane substituted by an iodo group at position 1 and a methyl group at position 2. Metabolite observed in cancer metabolism.
5,5,6,6-Tetrahydroxy-3,3-biindolyl
A hydroxyindole that is 1H-indole-5,6-diol substituted by a 5,6-dihydroxy-1H-indol-3-yl group at position 3.
(R)-4-phosphonatopantothenate(3-)
An organophosphate oxoanion that is the trianion of (R)-5-phosphopantothenic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3
(2R,3S)-trans-coutaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-coumaric acid with one of the hydroxy groups of meso-tartaric acid.
TCS1105
TCS1105 is a benzodiazepine ligand with agonist for α2-subunit containing GABAA receptors and antagonist for α1-subunit containing GABAA receptors. TCS1105 reduces anxiety-like behavior in mice. TCS1105 enhances offensive behavior and social dominance. TCS1105 blocks Sema3A induced AGC (axonal growth cones) collapse in a concentration-dependent fashion[1][2].
2-hydroxy-3-{[(2e)-3-(2-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
6-[(1s,2s)-2-hydroperoxy-1,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one
(2s)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioic acid
5,7-dihydroxy-3-methoxy-2-phenylnaphthalene-1,4-dione
5,7-dimethoxy-6-[(1s,2s)-1,2,3-trihydroxypropyl]chromen-2-one
(2r,3s)-2-bromo-1,1-dimethyl-5,9-dimethylidenespiro[5.5]undec-7-en-3-ol
4-bromo-2,5,6-trimethyl-11-methylidenetricyclo[6.2.1.0¹,⁶]undecan-3-one
(2r)-2,3-dihydroxypropyl 7-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carboxylate
(2r,3s,6r)-2-bromo-1,1-dimethyl-5,9-dimethylidenespiro[5.5]undec-7-en-3-ol
8,9,10-trihydroxy-4-(4-hydroxyphenyl)-1,6-dioxaspiro[4.5]decan-2-one
3-hydroxy-4-oxo-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]butanoic acid
10-bromo-3,7,11,11-tetramethylspiro[5.5]undeca-3,7,9-trien-1-ol
1-acetyl-4,5-dihydroxy-2-methylanthracene-9,10-dione
2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioic acid
2-hydroxy-2-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]propanedioic acid
(2s,3s,9s)-3-bromo-2-ethyl-9-(pent-2-en-4-yn-1-yl)-2,3,6,7,8,9-hexahydrooxonine
2-(7-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
2-amino-4-[cyano(3,4-dihydroxy-5-methoxyphenyl)methoxy]butanoic acid
6-(3-chloro-2-hydroxy-3-methylbutyl)-7-methoxychromen-2-one
[4-(4-bromo-3,3-dimethylcyclohexyl)phenyl]methanol
(3r,3ar,6r,6ar)-3a,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-3-methoxy-dihydro-5h-furo[3,2-b]furan-2-one
1-{2-[(2e,4s)-4-hydroxy-4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-2-ylidene]acetyl}-4-methoxy-5h-pyrrol-2-one
5,7-dimethoxy-6-(1,2,3-trihydroxypropyl)chromen-2-one
3',4'-methylenedioxy-7-methoxyflavone
{"Ingredient_id": "HBIN007502","Ingredient_name": "3',4'-methylenedioxy-7-methoxyflavone","Alias": "NA","Ingredient_formula": "C17H12O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14369","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aristololide; 9,10β-dihydro
{"Ingredient_id": "HBIN016824","Ingredient_name": "aristololide; 9,10\u03b2-dihydro","Alias": "NA","Ingredient_formula": "C17H12O5","Ingredient_Smile": "NA","Ingredient_weight": "296.27","OB_score": "NA","CAS_id": "205241-14-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6655","PubChem_id": "NA","DrugBank_id": "NA"}
