Exact Mass: 302.0200492
Exact Mass Matches: 302.0200492
Found 292 metabolites which its exact mass value is equals to given mass value 302.0200492,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pollenin A
Herbacetin is a pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. It has a role as an EC 4.1.1.17 (ornithine decarboxylase) inhibitor, an antineoplastic agent, an apoptosis inducer, an angiogenesis inhibitor, a plant metabolite, an antilipemic drug, an anti-inflammatory agent and an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a kaempferol. Herbacetin is a natural product found in Sedum anglicum, Sedum apoleipon, and other organisms with data available. See also: Larrea tridentata whole (part of). Isolated from pollen of Camellia sinensis (tea). Pollenin A is found in tea. Herbacetin is a natural flavonoid from flaxseed, exerts various pharmacological activities, including antioxidant, anti-inflammatory and anticancer effects[1]. Herbacetin is an Ornithine decarboxylase (ODC) allosteric inhibitor, directly binds to Asp44, Asp243, and Glu384 on ODC. Ornithine decarboxylase (ODC) is a rate-limiting enzyme in the first step of polyamine biosynthesis[2]. Herbacetin is a natural flavonoid from flaxseed, exerts various pharmacological activities, including antioxidant, anti-inflammatory and anticancer effects[1]. Herbacetin is an Ornithine decarboxylase (ODC) allosteric inhibitor, directly binds to Asp44, Asp243, and Glu384 on ODC. Ornithine decarboxylase (ODC) is a rate-limiting enzyme in the first step of polyamine biosynthesis[2].
Quercetin
Quercetin appears as yellow needles or yellow powder. Converts to anhydrous form at 203-207 °F. Alcoholic solutions taste very bitter. (NTP, 1992) Quercetin is a pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3-, 4-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. It has a role as an antibacterial agent, an antioxidant, a protein kinase inhibitor, an antineoplastic agent, an EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor, a plant metabolite, a phytoestrogen, a radical scavenger, a chelator, an Aurora kinase inhibitor and a geroprotector. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a quercetin-7-olate. Quercetin is a flavonol widely distributed in plants. It is an antioxidant, like many other phenolic heterocyclic compounds. Glycosylated forms include RUTIN and quercetrin. Quercetin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Quercetin is a flavonoid found in many foods and herbs and is a regular component of a normal diet. Extracts of quercetin have been used to treat or prevent diverse conditions including cardiovascular disease, hypercholesterolemia, rheumatic diseases, infections and cancer but have not been shown to be effective in clinical trials for any medical condition. Quercetin as a nutritional supplement is well tolerated and has not been linked to serum enzyme elevations or to episodes of clinically apparent liver injury. Quercetin is a natural product found in Lotus ucrainicus, Visnea mocanera, and other organisms with data available. Quercetin is a polyphenolic flavonoid with potential chemopreventive activity. Quercetin, ubiquitous in plant food sources and a major bioflavonoid in the human diet, may produce antiproliferative effects resulting from the modulation of either EGFR or estrogen-receptor mediated signal transduction pathways. Although the mechanism of action of action is not fully known, the following effects have been described with this agent in vitro: decreased expression of mutant p53 protein and p21-ras oncogene, induction of cell cycle arrest at the G1 phase and inhibition of heat shock protein synthesis. This compound also demonstrates synergy and reversal of the multidrug resistance phenotype, when combined with chemotherapeutic drugs, in vitro. Quercetin also produces anti-inflammatory and anti-allergy effects mediated through the inhibition of the lipoxygenase and cyclooxygenase pathways, thereby preventing the production of pro-inflammatory mediators. Quercetin is a flavonoid widely distributed in many plants and fruits including red grapes, citrus fruit, tomato, broccoli and other leafy green vegetables, and a number of berries, including raspberries and cranberries. Quercetin itself (aglycone quercetin), as opposed to quercetin glycosides, is not a normal dietary component. Quercitin glycosides are converted to phenolic acids as they pass through the gastrointestinal tract. Quercetin has neither been confirmed scientifically as a specific therapeutic for any condition nor been approved by any regulatory agency. The U.S. Food and Drug Administration has not approved any health claims for quercetin. Nevertheless, the interest in dietary flavonoids has grown after the publication of several epidemiological studies showing an inverse correlation between dietary consumption of flavonols and flavones and reduced incidence and mortality from cardiovascular disease and cancer. In recent years, a large amount of experimental and some clinical data have accumulated regarding the effects of flavonoids on the endothelium under physiological and pathological conditions. The meta-analysis of seven prospective cohort studies concluded that the individuals in the top third of dietary flavonol intake are associated with a reduced risk of mortality from coronary heart disease as compared with those in the bottom third, after adju... Quercetin is a flavonoid widely distributed in many plants and fruits including red grapes, citrus fruit, tomato, broccoli and other leafy green vegetables, and a number of berries, including raspberries and cranberries. Quercetin itself (aglycone quercetin), as opposed to quercetin glycosides, is not a normal dietary component. Quercetin glycosides are converted to phenolic acids as they pass through the gastrointestinal tract. Quercetin has neither been confirmed scientifically as a specific therapeutic for any condition nor been approved by any regulatory agency. The U.S. Food and Drug Administration has not approved any health claims for quercetin. Nevertheless, the interest in dietary flavonoids has grown after the publication of several epidemiological studies showing an inverse correlation between dietary consumption of flavonols and flavones and reduced incidence and mortality from cardiovascular disease and cancer. In recent years, a large amount of experimental and some clinical data have accumulated regarding the effects of flavonoids on the endothelium under physiological and pathological conditions. The meta-analysis of seven prospective cohort studies concluded that the individuals in the top third of dietary flavonol intake are associated with a reduced risk of mortality from coronary heart disease as compared with those in the bottom third, after adjustment for known risk factors and other dietary components. A limited number of intervention studies with flavonoids and flavonoid containing foods and extracts has been performed in several pathological conditions (PMID:17015250). Quercetin is isolated from many plants, especially fruits, such as Helichrysum, Euphorbia and Karwinskia spp. Present in the Solanaceae, Rhamnaceae, Passifloraceae and many other families. For example detected in almost all studied Umbelliferae. Nutriceutical with antiinflammatory props. and a positive influence on the blood lipid profile. Found in a wide variety of foods especially apples, bee pollen, blackcurrants, capers, cocoa, cranberries, dock leaves, elderberries, fennel, lovage, red onions, ancho peppers, dill weed and tarragon. A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3-, 4-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D020011 - Protective Agents > D000975 - Antioxidants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4014; ORIGINAL_PRECURSOR_SCAN_NO 4012 INTERNAL_ID 298; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4011; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4019; ORIGINAL_PRECURSOR_SCAN_NO 4018 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4017; ORIGINAL_PRECURSOR_SCAN_NO 4016 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4011; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4096; ORIGINAL_PRECURSOR_SCAN_NO 4094 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4024; ORIGINAL_PRECURSOR_SCAN_NO 4023 Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CB109_Quercetin_pos_30eV_CB000041.txt IPB_RECORD: 1761; CONFIDENCE confident structure [Raw Data] CB109_Quercetin_pos_10eV_CB000041.txt [Raw Data] CB109_Quercetin_pos_20eV_CB000041.txt [Raw Data] CB109_Quercetin_pos_40eV_CB000041.txt [Raw Data] CB109_Quercetin_pos_50eV_CB000041.txt IPB_RECORD: 161; CONFIDENCE confident structure [Raw Data] CB109_Quercetin_neg_40eV_000027.txt [Raw Data] CB109_Quercetin_neg_50eV_000027.txt [Raw Data] CB109_Quercetin_neg_20eV_000027.txt [Raw Data] CB109_Quercetin_neg_30eV_000027.txt [Raw Data] CB109_Quercetin_neg_10eV_000027.txt CONFIDENCE standard compound; INTERNAL_ID 124 CONFIDENCE standard compound; ML_ID 54 Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
Tricetin
Tricetin is flavone hydroxylated at positions 3, 4, 5, 5 and 7. It has a role as an antineoplastic agent and a metabolite. It is a conjugate acid of a tricetin(1-). Tricetin is a natural product found in Punica granatum, Lathyrus pratensis, and other organisms with data available. Constituent of the seed coat of lentil (Lens culinaris). Tricetin is found in many foods, some of which are ginkgo nuts, pulses, tea, and cereals and cereal products. Tricetin is found in cereals and cereal products. Tricetin is a constituent of the seed coat of lentil (Lens culinaris) Flavone hydroxylated at positions 3, 4, 5, 5 and 7.
Bracteatin
Bracteatin is the 3,4,5-trihydrobenzylidene derivative of 4,6-dihydroxy-1-benzofuran-3(2H)-one. Its glucoside is a significant contributor to the yellow colour of Antirrhinum majus (snapdragon) flowers. It has a role as a metabolite. It is a member of phenols and a member of 1-benzofurans. The 3,4,5-trihydrobenzylidene derivative of 4,6-dihydroxy-1-benzofuran-3(2H)-one. Its glucoside is a significant contributor to the yellow colour of Antirrhinum majus (snapdragon) flowers.
Ellagic acid
Ellagic acid appears as cream-colored needles (from pyridine) or yellow powder. Odorless. (NTP, 1992) Ellagic acid is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It has a role as an antioxidant, a food additive, a plant metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor, an EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor, an EC 2.4.1.1 (glycogen phosphorylase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor, an EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor, an EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor, a skin lightening agent, a fungal metabolite, an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor and a geroprotector. It is an organic heterotetracyclic compound, a cyclic ketone, a lactone, a member of catechols and a polyphenol. It is functionally related to a gallic acid. Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acids therapeutic action mostly involves antioxidant and anti-proliferative effects. Ellagic acid is a natural product found in Fragaria chiloensis, Metrosideros perforata, and other organisms with data available. Ellagic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A fused four ring compound occurring free or combined in galls. Isolated from the kino of Eucalyptus maculata Hook and E. Hemipholia F. Muell. Activates Factor XII of the blood clotting system which also causes kinin release; used in research and as a dye. Ellagic acid is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It has a role as an antioxidant, a food additive, a plant metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor, an EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor, an EC 2.4.1.1 (glycogen phosphorylase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor, an EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor, an EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor, a skin lightening agent, a fungal metabolite and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is an organic heterotetracyclic compound, a cyclic ketone, a lactone, a member of catechols and a polyphenol. It derives from a gallic acid. Ellagic acid, also known as ellagate, belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. The antiproliferative and antioxidant properties of ellagic acid have spurred preliminary research into the potential health benefits of ellagic acid consumption. Ellagic acids therapeutic action mostly involves antioxidant and anti-proliferative/anti-cancer effects. Ellagic acid is found, on average, in the highest concentration within a few different foods, such as chestnuts, common walnuts, and japanese walnuts and in a lower concentration in whiskies, arctic blackberries, and cloudberries. Ellagic acid has also been detected, but not quantified in several different foods, such as lowbush blueberries, bilberries, guava, strawberry guava, and bog bilberries. An organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. Widely distributed in higher plants especies dicotyledons. Intestinal astringent, dietary role disputed. Nutriceutical with anticancer and antioxidation props. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM.
Morin
Morin is a pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2 4 and 5. It has a role as an antioxidant, a metabolite, an antihypertensive agent, a hepatoprotective agent, a neuroprotective agent, an anti-inflammatory agent, an antineoplastic agent, an antibacterial agent, an EC 5.99.1.2 (DNA topoisomerase) inhibitor and an angiogenesis modulating agent. It is a pentahydroxyflavone and a 7-hydroxyflavonol. Morin is a natural product found in Lotus ucrainicus, Psidium guajava, and other organisms with data available. Constituent of various woods, e.g. Morus alba (white mulberry). First isol. in 1830. Morin is found in many foods, some of which are blackcurrant, european cranberry, bilberry, and fruits. Morin is found in bilberry. Morin is a constituent of various woods, e.g. Morus alba (white mulberry). First isolated in 1830 A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2 4 and 5. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D020011 - Protective Agents > D000975 - Antioxidants Morin, a plant-derived flavonoid, possesses low antioxidant activity. Morin is a fluorescing chelating agent used in aluminum speciation[1][2]. Morin, a plant-derived flavonoid, possesses low antioxidant activity. Morin is a fluorescing chelating agent used in aluminum speciation[1][2].
Robinetin
Robinetin is a pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4 and 5. It has a role as a plant metabolite. It is a pentahydroxyflavone and a 7-hydroxyflavonol. Robinetin is a natural product found in Acacia mearnsii, Intsia bijuga, and other organisms with data available. A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4 and 5. Robinetin (3,3',4',5',7-Pentahydroxyflavone), a naturally occurring flavonoid with remarkable ‘two color’ intrinsic fluorescence properties, has antifungal, antiviral, antibacterial, antimutagenesis, and antioxidant activity. Robinetin also can inhibit lipid peroxidation and protein glycosylation[1][2][3][4][5]. Robinetin (3,3',4',5',7-Pentahydroxyflavone), a naturally occurring flavonoid with remarkable ‘two color’ intrinsic fluorescence properties, has antifungal, antiviral, antibacterial, antimutagenesis, and antioxidant activity. Robinetin also can inhibit lipid peroxidation and protein glycosylation[1][2][3][4][5].
Olsalazine
C14H10N2O6 (302.05388400000004)
Olsalazine is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease and Ulcerative Colitis. Olsalazine is a derivative of salicylic acid. Inactive by itself (it is a prodrug), it is converted by the bacteria in the colon to mesalamine. Mesalamine works as an anti-inflammatory agent in treating inflammatory diseases of the intestines. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 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 D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
6-Hydroxyluteolin
Isolated from Valerianella eriocarpa (Italian corn salad). 6-Hydroxyluteolin is found in many foods, some of which are common thyme, mexican oregano, green vegetables, and lemon verbena. 6-Hydroxyluteolin is found in common thyme. 6-Hydroxyluteolin is isolated from Valerianella eriocarpa (Italian corn salad).
Hypolaetin
A pentahydroxyflavone that consists of luteolin substituted by an additional hydroxy group at position 8.
Narcobarbital
C11H15BrN2O3 (302.02659800000004)
N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AG - Barbiturates in combination with other drugs
Neo proserine
C12H19BrN2O2 (302.06298139999996)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
fludiazepam
C16H12ClFN2O (302.06221439999996)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Ethacrynic acid
C13H12Cl2O4 (302.01126120000004)
A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic. [PubChem] C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CC - Aryloxyacetic acid derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D004791 - Enzyme Inhibitors
2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-1λ⁴-chromen-1-ylium
2',4',5,7,8-Pentahydroxyisoflavone
2,4,5,7,8-Pentahydroxyisoflavone is found in lima bean. 2,4,5,7,8-Pentahydroxyisoflavone is a constituent of Phaseolus lunatus (butter bean). Constituent of Phaseolus lunatus (butter bean). 2,4,5,7,8-Pentahydroxyisoflavone is found in pulses and lima bean.
Fludiazepam
C16H12ClFN2O (302.06221439999996)
Fludiazepam is only found in individuals that have used or taken this drug. It is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a scheduled drug in the U.S., but is approved for use in Japan.Fludiazepam has similar action to diazepam, but binds with four times more affinity to benzodiazepine receptors than diazepam. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Erythrityl Tetranitrate
Erythrityl Tetranitrate is only found in individuals that have used or taken this drug. It is a vasodilator with general properties similar to nitroglycerin. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1020)Similar to other nitrites and organic nitrates, erythrityl tetranitrate is converted to an active intermediate compound which activates the enzyme guanylate cyclase. This stimulates the synthesis of cyclic guanosine 3,5-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation. C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
5,6,7,3',4'-Pentahydroxyisoflavone
5,6,7,3,4-Pentahydroxyisoflavone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5,7,8,3',4'-Pentahydroxyisoflavone
5,7,8,3,4-Pentahydroxyisoflavone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Pyrogallol-2-O-glucuronide
Pyrogallol-2-O-glucuronide is a conjugate of Pyrogallol and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl
C12H14O7S (302.04602140000003)
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.
Malathion monocarboxylic acid
Malathion monocarboxylic acid is a metabolite of malathion. Malathion is an organophosphate parasympathomimetic which binds irreversibly to cholinesterase. Malathion is an insecticide of relatively low human toxicity; however, a 2010 study has shown that children with higher levels of organophosphate pesticide metabolites in their urine are more likely to have attention deficit hyperactivity disorder. In the former USSR it was known as carbophos, in New Zealand and Australia as maldison and in South Africa as mercaptothion. (Wikipedia)
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid
C12H14O7S (302.04602140000003)
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
2-(2-Nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide
5-((p-Hydroxybenzylidene)amino)-3-methylisothiazolo(5,4-d)pyrimidine-4,6(5H,7H)-dione
C13H10N4O3S (302.04735900000003)
O,O-Dimethyl malathion
9-(6-Sulfanylidene-3H-purin-9-yl)-3H-purine-6-thione
9-(2,6-Dioxo-3H-purin-9-yl)-3H-purine-2,6-dione
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol
3,5,6,7,8-Pentahydroxy-2-phenyl-4H-1-benzopyran-4-one
6-Hydroxykaempferol
6-Hydroxykaempferol is a natural product found in Ficus virens, Eupatorium cannabinum, and other organisms with data available.
Quercetin
Annotation level-1 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials relative retention time with respect to 9-anthracene Carboxylic Acid is 0.898 D020011 - Protective Agents > D000975 - Antioxidants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.902 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 1981; CONFIDENCE confident structure IPB_RECORD: 3301; CONFIDENCE confident structure IPB_RECORD: 3283; CONFIDENCE confident structure Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
2-(2-Cyanoacetyl)-N-(3,4-dichlorophenyl)hydrazine-1-carbothioamide
PIPES
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; IHPYMWDTONKSCO-UHFFFAOYSA-N_STSL_0146_PIPES_2000fmol_180419_S2_LC02_MS02_24; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Acquisition and generation of the data is financially supported in part by CREST/JST.
(2-Chloro-6-methyl-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amine
C16H15ClN2S (302.06444200000004)
2-(4-Hydroxyphenoxy)-5,6,7-trihydroxy-4H-1-benzopyran-4-one
1,2,4,5-tetrahydroxy-7-(hydroxymethyl)-9,10-anthraquinone
1,2,3,5,6-Pentahydroxy-8-methylanthraquinone|3,4,6,7,8-pentahydroxy-1-methylanthraquinone|7-hydroxyerythrolaccin
Tan-931
A member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 3, a hydroxy group at position 5 and a 2,6-dihydroxybenzoyl group at position 4. Isolated from Penicillium purpurogenum, it exhibits antiviral activity.
1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone|5,6-dihydroxylucidin
3-((E)-2-carboxyethenyl)-5-(4-hydroxyphenyl)-4-pyrone-2-carboxylic acid
1,2,4,5,8-Pentahydroxy-7-methyl-anthrachinon|1,2,4,5,8-pentahydroxy-7-methyl-anthraquinone|1,4,5,6,8-Pentahydroxy-3-methylanthraquinone|Asahinin|pentahydroxymethylanthraquinone
5,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1,6,9-trione
2-Hydroxy-4-phosphonooxy-butan-1,2,4-tricarbonsaeure|2-hydroxy-4-phosphonooxy-butane-1,2,4-tricarboxylic acid
1,4,5,7,8-Pentahydroxy-3-methylanthraquinone|asahinin
1-acetoxymethyl-5,8-dihydroxynaphtho[2,3-c]furan-4,9-dione
ViscidulinI
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one is a hydroxyflavan.
Morin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D020011 - Protective Agents > D000975 - Antioxidants Morin, a plant-derived flavonoid, possesses low antioxidant activity. Morin is a fluorescing chelating agent used in aluminum speciation[1][2]. Morin, a plant-derived flavonoid, possesses low antioxidant activity. Morin is a fluorescing chelating agent used in aluminum speciation[1][2].
Quercetol
Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
Ellagic Acid
Origin: Plant, Ellagic acids, Benzopyranoids, Pyrans Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM.
5-Hydroxyfisetin
Robinetin (3,3',4',5',7-Pentahydroxyflavone), a naturally occurring flavonoid with remarkable ‘two color’ intrinsic fluorescence properties, has antifungal, antiviral, antibacterial, antimutagenesis, and antioxidant activity. Robinetin also can inhibit lipid peroxidation and protein glycosylation[1][2][3][4][5]. Robinetin (3,3',4',5',7-Pentahydroxyflavone), a naturally occurring flavonoid with remarkable ‘two color’ intrinsic fluorescence properties, has antifungal, antiviral, antibacterial, antimutagenesis, and antioxidant activity. Robinetin also can inhibit lipid peroxidation and protein glycosylation[1][2][3][4][5].
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
(2Z)-4,6-dihydroxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Herbacetin
Herbacetin is a pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. It has a role as an EC 4.1.1.17 (ornithine decarboxylase) inhibitor, an antineoplastic agent, an apoptosis inducer, an angiogenesis inhibitor, a plant metabolite, an antilipemic drug, an anti-inflammatory agent and an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a kaempferol. Herbacetin is a natural product found in Sedum anglicum, Sedum apoleipon, and other organisms with data available. See also: Larrea tridentata whole (part of). A pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. Herbacetin is a natural flavonoid from flaxseed, exerts various pharmacological activities, including antioxidant, anti-inflammatory and anticancer effects[1]. Herbacetin is an Ornithine decarboxylase (ODC) allosteric inhibitor, directly binds to Asp44, Asp243, and Glu384 on ODC. Ornithine decarboxylase (ODC) is a rate-limiting enzyme in the first step of polyamine biosynthesis[2]. Herbacetin is a natural flavonoid from flaxseed, exerts various pharmacological activities, including antioxidant, anti-inflammatory and anticancer effects[1]. Herbacetin is an Ornithine decarboxylase (ODC) allosteric inhibitor, directly binds to Asp44, Asp243, and Glu384 on ODC. Ornithine decarboxylase (ODC) is a rate-limiting enzyme in the first step of polyamine biosynthesis[2].
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
2-(2,6-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
2-(2,6-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one_major
ETHACRYNIC ACID
C13H12Cl2O4 (302.01126120000004)
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CC - Aryloxyacetic acid derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D004791 - Enzyme Inhibitors
Nitroerythrol
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-one
ETHYL2-(TRIFLUOROMETHYLSULFONYLOXY)-1-CYCLOHENXENE-1-CARBOXYLATE
C10H13F3O5S (302.04357640000006)
Benzaldehyde,2-hydroxy-, 2-(2,4-dinitrophenyl)hydrazone
tert-Butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
Methanone, (2-bromophenyl)(2,4,6-trimethylphenyl)-
2-Phenylacetic dithioperoxyanhydride
C16H14O2S2 (302.04351840000004)
6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde
3-BENZYL-2-MERCAPTO-5,6-DIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
2,2-Methylenebis(4-aminophenol) dihydrochloride
C13H16Cl2N2O2 (302.05887759999996)
4,4,5,5,6,6,7,7-OCTAFLUORO-3-OXOHEPTANOIC ACID METHYL ESTER
2-METHYL-4-[(PYRROLIDINE-1-CARBONYL)-AMINO]-N-METHYLPYRROLIDINE
3-(3-CHLORO-2-METHYLPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
2-(4-METHOXYPHENYL)-4,4-BIS(METHYLTHIO)-1,3-BUTADIEN-1,1-DICARBONITRILE
Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-6,6-dimethyl-3-(methylsulfonyl)-4-oxo-
2-bromo-1-(4-phenyldiazenylphenyl)ethanone
C14H11BrN2O (302.00546959999997)
ETHYL 4-(((TRIFLUOROMETHYL)SULFONYL)OXY)CYCLOHEX-3-ENECARBOXYLATE
C10H13F3O5S (302.04357640000006)
(R)-5,5-DIMETHYL-3-(PYRIDIN-3-YLSULFONYL)THIAZOLIDINE-4-CARBOXYLIC ACID
Tixanox
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
2-(3,5-Dichloro-4-methoxyphenyl)4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6-chloro-2-(4-ethyl-3-nitrophenyl)imidazo[1,2-b]pyridazine
C14H11ClN4O2 (302.05704959999997)
Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
3-(pentafluorophenyl)propyldimethylchlorosilane
C11H12ClF5Si (302.03169219999995)
(2,4-DIPHENYL-1,3-THIAZOL-5-YL)METHYLAMINE HYDROCHLORIDE
C16H15ClN2S (302.06444200000004)
5-bromo-2,4-di-tert-butoxypyrimidine
C12H19BrN2O2 (302.06298139999996)
3-BROMO-2-(4-METHOXY-PHENYL)-IMIDAZO[1,2-A]PYRIDINE
C14H11BrN2O (302.00546959999997)
1-(2,3,4,5,6-PENTAMETHYLPHENYL)-2-PHENYLETHANE-1,2-DIONE
1H-PYRROLO[2,3-B]PYRIDIN-3-OL, 1-(PHENYLSULFONYL)-, 3-FORMATE
1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID
4-(5-chloro-2-(methylthio)thiazolo[4,5-d]pyrimidin-7-yl)morpholine
6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
C14H11BrN2O (302.00546959999997)
Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-
methyl 4-acetamido-5-chloro-2-methoxy-3-nitrobenzoate
METHYL 2-[(2,6-DICHLORO-4-PYRIDYL)CARBONYL]-3-(METHYLAMINO)BUT-2-ENOATE
4-(1-PYRROLIDINYL)-3-(TRIFLUOROMETHYL)BEZENAMINE DIHYDROCHLORIDE
4-Bromo-N-(tert-butyl)-5-methoxy-2-nitroaniline
C11H15BrN2O3 (302.02659800000004)
3-(2-Bromo-4-ethoxy-5-methoxyphenyl)propanoic acid
C12H15BrO4 (302.01536500000003)
1-(4-Bromophenyl)-3-phenyl-1,3-propanedione
C15H11BrO2 (301.99423659999997)
4-(thiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione
C11H15BrN2O3 (302.02659800000004)
1,3-Propanedione,2-bromo-1,3-diphenyl-
C15H11BrO2 (301.99423659999997)
1-(2-CHLORO-6-METHYL-4-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE
C11H11ClN2O4S (302.01280360000004)
Methyl [6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]ca rbamate
C14H11ClN4O2 (302.05704959999997)
methyl 2-(2-methoxycarbonylphenyl)sulfanylbenzoate
C16H14O4S (302.06127640000005)
5-Carboxy-2,3-diphenyl-2H-tetrazol-3-ium chloride
C14H11ClN4O2 (302.05704959999997)
Benzoic acid,4-chloro-3,5-dinitro-, 2-methylpropyl ester
4-bromo-5-(3-methylbutoxy)-2-nitroaniline
C11H15BrN2O3 (302.02659800000004)
3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
tert-Butyl [(2-nitrophenyl)sulfonyl]carbamate
C11H14N2O6S (302.05725440000003)
4-chloro-5-(2,3-dichlorophenoxy)-1,2-phenylenediamine
(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid
C13H12Cl2O4 (302.01126120000004)
3-Chloro-2-((S)-pyrrolidin-3-yloxy)-5-trifluoroMethyl-pyridine hydrochloride
4-Bromo-2-nitro-5-(pentyloxy)aniline
C11H15BrN2O3 (302.02659800000004)
1-[2-(Z)-Methoxyimino-2-(2-aminothiazol-4-yl)acetoxy]benzotrizole
C12H10N6O2S (302.05859200000003)
cyclopenta-2,4-dien-1-yl(dimethyl)silicon,iron(2+)
1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBONYL CHLORIDE HYDROCHLORIDE
3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
6-CHLORO-1-(PIPERIDIN-4-YL)-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE HYDROCHLORIDE
C13H16Cl2N2O2 (302.05887759999996)
1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
2-[2-chloro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfanylacetic acid
4-CHLORO-2-(3-CHLORO-4-FLUOROPHENYL)-5-(1-METHYL-HYDRAZINO)-3-(2H)-PYRIDAZINONE
C11H9Cl2FN4O (302.01374159999995)
8-(BENZYLOXY)-3-BROMOIMIDAZO[1,2-A]PYRIDINE
C14H11BrN2O (302.00546959999997)
1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine-2-ylboronic acid
C13H11BN2O4S (302.05325560000006)
EF-5
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
5-((p-Hydroxybenzylidene)amino)-3-methylisothiazolo(5,4-d)pyrimidine-4,6(5H,7H)-dione
C13H10N4O3S (302.04735900000003)
D000970 - Antineoplastic Agents
4-(2,6-Dihydroxybenzoyl)-3-formyl-5-hydroxybenzoic acid
2-[(6-Chloro-2-phenyl-1-benzimidazolyl)oxy]acetic acid
C15H11ClN2O3 (302.04581659999997)
3-[(4-Chlorophenyl)methylthio]-6-(2-furanyl)pyridazine
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
6-(Difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid
eritrityl tetranitrate
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Quertin
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D020011 - Protective Agents > D000975 - Antioxidants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
Reomax
C13H12Cl2O4 (302.01126120000004)
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CC - Aryloxyacetic acid derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D004791 - Enzyme Inhibitors
Pyrogallol-2-O-glucuronide
Pyrogallol-2-O-glucuronide is a conjugate of Pyrogallol and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)
3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-7-one
Methyl 3-deoxy-7-O-phosphono-alpha-D-arabino-hept-2-ulopyranosidonic acid
8-chloro-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
3-chloro-6-methyl-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide
N-(4-fluorophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
5-(4-chlorophenyl)-N-(2-furanylmethyl)-3-isoxazolecarboxamide
C15H11ClN2O3 (302.04581659999997)
4-Methyl-5-[2-[(phenylmethyl)amino]-4-thiazolyl]-2-thiazolamine
6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridine-4-carboxylic acid ethyl ester
C15H11ClN2O3 (302.04581659999997)
(5-Bromo-2-propoxyphenyl)methyl carbamimidothioate
2-(3,5-Dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
6-(2,4-Dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[2-Methoxy-5-[(5-oxooxolan-2-yl)methyl]phenyl] hydrogen sulate
C12H14O7S (302.04602140000003)
Neostigmine Bromide
C12H19BrN2O2 (302.06298139999996)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
Olsalazine
C14H10N2O6 (302.05388400000004)
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 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 D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl
C12H14O7S (302.04602140000003)
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid
C12H14O7S (302.04602140000003)
Isoetin
A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2, 4 and 5.
GluR6 antagonist-1
GluR6 antagonist-1 is a benzothiophene derivative, acting as a GluR6 antagonist. GluR6 antagonist-1 can be used for researching acute and chronic neurological disorders[1].
1,3,5,6-tetrahydroxy-2-(hydroxymethyl)anthracene-9,10-dione
2-(3,5-dihydroxy-4-oxidophenyl)-3,5,7-trihydroxy-1λ⁴-chromen-1-ylium
3,5,13,14-tetrahydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,12,14-hexaen-9-one
3-chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-1,5-dihydropyrrol-2-one
(1r,10r)-5,7,10,14-tetrahydroxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3,5,7,11,13,15-hexaen-9-one
2',5,5',7-tetrahydroxyflavonol
{"Ingredient_id": "HBIN004574","Ingredient_name": "2',5,5',7-tetrahydroxyflavonol","Alias": "NA","Ingredient_formula": "C15H10O7","Ingredient_Smile": "NA","Ingredient_weight": "302.24","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8878","PubChem_id": "NA","DrugBank_id": "NA"}
3',4',5,7-tetrahydroxyflavanol
{"Ingredient_id": "HBIN007271","Ingredient_name": "3',4',5,7-tetrahydroxyflavanol","Alias": "NA","Ingredient_formula": "C15H10O7","Ingredient_Smile": "C1=C(C=C(C=C1O)O)C2=C(C(=O)C3=CC(=CC(=C3O2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32030","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-demethylcapillarisin
{"Ingredient_id": "HBIN012308","Ingredient_name": "6-demethylcapillarisin","Alias": "NA","Ingredient_formula": "C15H10O7","Ingredient_Smile": "C1=CC(=CC=C1O)OC2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5064","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-2-methoxy-12-methyl-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),2,7,11,14-pentaene-10,16-dione
5,11-dihydroxy-13-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-3,12-dicarboxylic acid
2-methanesulfinyl-1-[(2-methanesulfinylbutyl)disulfanyl]butane
6,8-dihydroxy-1-(hydroxymethyl)-9-oxoxanthene-3-carboxylic acid
3-(3,4-dihydroxyphenyl)-2,6,8-trihydroxychromen-4-one
1,3,6,8-tetrahydroxy-2-(hydroxymethyl)anthracene-9,10-dione
5,10-dihydroxy-7-methoxy-3-methylcyclohexa[g]isochromene-1,6,9-trione
4,6,7,8-tetrahydroxy-10-oxo-9h-anthracene-2-carboxylic acid
(5,6-dimethoxy-2-oxochromen-7-yl)oxidanesulfonic acid
C11H10O8S (302.00963800000005)
6,9-dihydroxy-7-methoxy-3-methylbenzo[g]isochromene-1,5,10-trione
5-chloro-10-hydroxy-4-methyl-2-oxa-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-7-carboximidic acid
C15H11ClN2O3 (302.04581659999997)
10,14-dihydroxy-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2(7),3,5,9(19),10,12(20),13,16-nonaen-15-one
1,2,4,5,8-pentahydroxy-7-methylanthracene-9,10-dione
1,3,4,5,6-pentahydroxy-2-methylanthracene-9,10-dione
1,3,5,8-tetrahydroxy-2-methoxyanthracene-9,10-dione
(3r)-5-bromo-6,7-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
1,2,4,5,8-pentahydroxy-6-methylanthracene-9,10-dione
3-[(1e)-2-carboxyeth-1-en-1-yl]-5-(4-hydroxyphenyl)-4-oxopyran-2-carboxylic acid
1,2,4,5-tetrahydroxy-7-(hydroxymethyl)anthracene-9,10-dione
{5,8-dihydroxy-4,9-dioxonaphtho[2,3-c]furan-1-yl}methyl acetate
5-bromo-6,7-dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
2-(5-amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboximidic acid
C13H10N4O3S (302.04735900000003)