Exact Mass: 302.04602140000003
Exact Mass Matches: 302.04602140000003
Found 500 metabolites which its exact mass value is equals to given mass value 302.04602140000003,
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].
Haematoxylin
An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology. Hematoxylin appears as white to yellowish crystals that redden on exposure to light. (NTP, 1992) (+)-haematoxylin is a haematoxylin. It is an enantiomer of a (-)-haematoxylin. Hematoxylin is a natural product found in Haematoxylum brasiletto and Haematoxylum campechianum with data available. A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink. D004396 - Coloring Agents
Hesperetin
Hesperetin, also known as prestwick_908 or YSO2, belongs to the class of organic compounds known as 4-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4 atom of the flavonoid backbone. Thus, hesperetin is considered to be a flavonoid lipid molecule. Hesperetin also seems to upregulate the LDL receptor. Hesperetin, in the form of its glycoside , is the predominant flavonoid in lemons and oranges. Hesperetin is a drug which is used for lowering cholesterol and, possibly, otherwise favorably affecting lipids. In vitro research also suggests the possibility that hesperetin might have some anticancer effects and that it might have some anti-aromatase activity. Hesperetin is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Hesperetin is a bitter tasting compound. Hesperetin is found, on average, in the highest concentration within a few different foods, such as limes, persian limes, and sweet oranges and in a lower concentration in pummelo, welsh onions, and lemons. Hesperetin has also been detected, but not quantified, in several different foods, such as yellow bell peppers, carrots, rapinis, hazelnuts, and beers. Hesperetin is a biomarker for the consumption of citrus fruits. Hesperetin reduces or inhibits the activity of acyl-coenzyme A:cholesterol acyltransferase genes (ACAT1 and ACAT2) and it reduces microsomal triglyceride transfer protein (MTP) activity. Hesperetin is a trihydroxyflavanone having the three hydroxy gropus located at the 3-, 5- and 7-positions and an additional methoxy substituent at the 4-position. It has a role as an antioxidant, an antineoplastic agent and a plant metabolite. It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3-hydroxyflavanones and a member of 4-methoxyflavanones. It is a conjugate acid of a hesperetin(1-). Hesperetin belongs to the flavanone class of flavonoids. Hesperetin, in the form of its glycoside [hesperidin], is the predominant flavonoid in lemons and oranges. Hesperetin is a natural product found in Brassica oleracea var. sabauda, Dalbergia parviflora, and other organisms with data available. Isolated from Mentha (peppermint) and numerous Citrussubspecies, with lemons, tangerines and oranges being especially good sources. Nutriceutical with anti-cancer props. Glycosides also widely distributed A trihydroxyflavanone having the three hydroxy gropus located at the 3-, 5- and 7-positions and an additional methoxy substituent at the 4-position. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CB046_Hesperetin_pos_40eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_50eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_30eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_20eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_10eV_CB000021.txt [Raw Data] CB046_Hesperetin_neg_20eV_000014.txt [Raw Data] CB046_Hesperetin_neg_10eV_000014.txt [Raw Data] CB046_Hesperetin_neg_40eV_000014.txt [Raw Data] CB046_Hesperetin_neg_50eV_000014.txt [Raw Data] CB046_Hesperetin_neg_30eV_000014.txt Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis.
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.
(-)-Homoeriodictyol
Homoeriodictyol is a trihydroxyflavanone that consists of 3-methoxyflavanone in which the three hydroxy substituents are located at positions 4, 5, and 7. It has a role as a metabolite and a flavouring agent. It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3-methoxyflavanones and a member of 4-hydroxyflavanones. It is functionally related to an eriodictyol. Homoeriodictyol is a natural product found in Smilax corbularia, Limonium aureum, and other organisms with data available. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1]. Homoeriodictyol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=446-71-9 (retrieved 2024-09-19) (CAS RN: 446-71-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
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.
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.
Nanafrocin
A pyranonaphthoquinone antibiotic from strain OS-3966 of Streptomyces rosa var. notoensis. C254 - Anti-Infective Agent > C514 - Antifungal Agent C254 - Anti-Infective Agent > C258 - Antibiotic
Ferreirin
Isolated from Cajanus cajan (pigeon pea). Ferreirin is found in pigeon pea and pulses. Ferreirin is found in pigeon pea. Ferreirin is isolated from Cajanus cajan (pigeon pea
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
5,7,3'-Trihydroxy-4'-methoxyflavanone
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one is an ether and a member of flavonoids. 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one is a natural product found in Allium caeruleum, Allium caesium, and other organisms with data available. The S-form is It is isolated from Brickellia vernicosa, Persica vulgaris (preferred genus name Prunus), Citrus and Mentha species [CCD (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis.
3,3',4,4'-Tetrahydroxy-2-methoxychalcone
3,3,4,4-Tetrahydroxy-2-methoxychalcone is found in herbs and spices. 3,3,4,4-Tetrahydroxy-2-methoxychalcone is a constituent of licorice (Glycyrrhiza sp.) Constituent of licorice (Glycyrrhiza species). 3,3,4,4-Tetrahydroxy-2-methoxychalcone is found in tea and herbs and spices. 3,3,4,4-Tetrahydroxy-2-methoxychalcone is a member of chalcones.
4'-Methoxy-2',3,7-trihydroxyisoflavanone
4-Methoxy-2,3,7-trihydroxyisoflavanone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Folerogenin
Folerogenin is found in root vegetables. Folerogenin is isolated from licorice (Glycyrrhiza glabra) leaves Nadolol is a nonselective beta-adrenergic receptor antagonist with a long half-life, and is structurally similar to propranolol. Clinical pharmacology studies have demonstrated beta-blocking activity by showing (1) reduction in heart rate and cardiac output at rest and on exercise, (2) reduction of systolic and diastolic blood pressure at rest and on exercise, (3) inhibition of isoproterenol-induced tachycardia, and (4) reduction of reflex orthostatic tachycardia. Nadolol has no intrinsic sympathomimetic activity and, unlike some other beta-adrenergic blocking agents, nadolol has little direct myocardial depressant activity and does not have an anesthetic-like membrane-stabilizing action. Isolated from licorice (Glycyrrhiza glabra) leaves. Folerogenin is found in root vegetables.
2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-1λ⁴-chromen-1-ylium
Isoferreirin
Constituent of Dolichos biflorus (papadi). Isoferreirin is found in scarlet bean, lima bean, and fruits. Isoferreirin is found in fruits. Isoferreirin is a constituent of Dolichos biflorus (papadi)
Blumeatin
Blumeatin is found in tea. Blumeatin is a constituent of Blumea balsamifera (sambong). Constituent of Blumea balsamifera (sambong). Blumeatin is found in tea.
4',5,7-Trihydroxy-3-methoxyflavanone
4,5,7-Trihydroxy-3-methoxyflavanone is found in european plum. 4,5,7-Trihydroxy-3-methoxyflavanone is a constituent of Prunus domestica (plum). Constituent of Prunus domestica (plum). Aromadendrin 3-methyl ether is found in fruits and european plum.
5,7,8-trihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
2,3',6-Trihydroxy-4'-methoxybenzylcoumaranone
2,3,6-Trihydroxy-4-methoxybenzylcoumaranone is isolated from quebracho. Isolated from quebracho
Divanillin
Divanillin is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
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.
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
14-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,6,15-triol
5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
3,5,7-trihydroxy-8-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Porric acid A
Porric acid A is found in onion-family vegetables. Porric acid A is a constituent of the bulbs of Allium porrum (leeks)
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
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.
{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.
(-)-Haematoxylin
D004396 - Coloring Agents
2-(2-Nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide
Homoeriodictyol
Homoeriodictyol is a member of the class of compounds known as 3-o-methylated flavonoids. 3-o-methylated flavonoids are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Homoeriodictyol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Homoeriodictyol can be found in coriander, which makes homoeriodictyol a potential biomarker for the consumption of this food product. Homoeriodictyol (3`-methoxy-4`,5,7-trihydroxyflavanone) is one of the 4 flavanones identified by Symrise in this plant eliciting taste-modifying property: homoeriodictyol sodium salt, eriodictyol and sterubin. Homoeriodictyol Sodium salt elicited the most potent bitter-masking activity by reducing from 10 to 40\\\\% the bitterness of salicin, amarogentin, paracetamol and quinine. However no bitter-masking activity was detected with bitter linoleic acid emulsions. According to Symrises scientists homoeriodictyol sodium salt seems to be a taste-modifier with large potential in food applications and pharmaceuticals . Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1]. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1].
5-((p-Hydroxybenzylidene)amino)-3-methylisothiazolo(5,4-d)pyrimidine-4,6(5H,7H)-dione
C13H10N4O3S (302.04735900000003)
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
Aromadendrin 7-methyl ether
Aromadendrin 7-methyl ether, also known as 7-methoxy-aromadendrin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Aromadendrin 7-methyl ether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Aromadendrin 7-methyl ether can be found in sweet cherry, which makes aromadendrin 7-methyl ether a potential biomarker for the consumption of this food product.
1,11b-Dihydro-11b-hydroxymaackiain
13-Hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,17-tetraen-16-one is a natural product found in Ononis viscosa with data available.
Marsupsin
A member of the class of 1-benzofurans that is 1-benzofuran-3(2H)-one, substituted by hydroxy groups at positions 2 and 6, a 4-hydroxybenzyl group at position 2 and a methoxy group at position 4. Isolated from the heartwood of Pterocarpus marsupium, it exhibits antihyperglycemic and antihyperlipidemic activities.
Porric acid A
3,5,6,7,8-Pentahydroxy-2-phenyl-4H-1-benzopyran-4-one
Hematoxylin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.308 D004396 - Coloring Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.309
Aromadendrin 3-methyl ether
Ferreirin
A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 2 and a methoxy group at position 4 respectively.
Homoeriodictyol
Homoeriodictyol is a trihydroxyflavanone that consists of 3-methoxyflavanone in which the three hydroxy substituents are located at positions 4, 5, and 7. It has a role as a metabolite and a flavouring agent. It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3-methoxyflavanones and a member of 4-hydroxyflavanones. It is functionally related to an eriodictyol. Homoeriodictyol is a natural product found in Smilax corbularia, Limonium aureum, and other organisms with data available. A trihydroxyflavanone that consists of 3-methoxyflavanone in which the three hydroxy substituents are located at positions 4, 5, and 7. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1]. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1].
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].
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-(4,7-Dihydroxy-2-methyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yl)-6-hydroxy-pyran-4-one
1-(1,4,6-trihydroxy-7-methoxy-6H-benzo[d]chromen-2-yl)ethanone|alternethanoxin A
2-(4-Hydroxyphenoxy)-5,6,7-trihydroxy-4H-1-benzopyran-4-one
Nidulalin A
A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by hydroxy groups at positions 4 and 8, a methyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Emericella nidulans var lata and Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines.
1,2,4,5-tetrahydroxy-7-(hydroxymethyl)-9,10-anthraquinone
1,4-Dihydrospiro[benzofuran-3(2H),3-[3H-2]benzopyran]-16,6,7-tetrol
5,6-Z-methylenedioxypiperolide|Methylendioxypiperdid|Methylendioxypiperdiol
1,2,3,5,6-Pentahydroxy-8-methylanthraquinone|3,4,6,7,8-pentahydroxy-1-methylanthraquinone|7-hydroxyerythrolaccin
DECUSSATIN
A member of the class of xanthones that is xanthone substituted by a hydroxy group at position 1 and methoxy groups at positions 1, 2 and 6. It has been isolated from Centaurium erythraea and Gentiana verna.
5-acetoxy-7-benzoyloxymethyl-7H-oxepin-2-one|klaivanolide
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.
(3S)-5,6,4-trihydroxy-7-methoxyisoflavanone|stenocepflavan
(R)-(3-(3,4-dihydroxybenzyl))-5,7-dihydroxychroman-4-one
(7R,8R)-3,4,9-trihydroxy-4,7-epoxy-8,3-oxyneolignan-1-al
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
4-methoxy-6-(11,12-methylenedioxy-14-methoxystyryl)-2-pyrone
2,3-cis-3,5-dihydroxy-6-methoxydehydroiso-alpha-lapachone
1,4,5,7,8-Pentahydroxy-3-methylanthraquinone|asahinin
1-acetoxymethyl-5,8-dihydroxynaphtho[2,3-c]furan-4,9-dione
(+/-)-matteucen B|3,4-dihydro-6,8-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)isochromen-1-one
ViscidulinI
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one is a hydroxyflavan.
Blumeatin
Blumeatin is a member of flavonoids and an ether. Blumeatin is a natural product found in Dodonaea viscosa and Vitex agnus-castus with data available.
Sterubin
7-O-Methyleriodictyol is a natural product found in Artemisia halodendron, Traversia baccharoides, and other organisms with data available.
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].
Hesperetin
Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.958 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.957 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.955 (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis.
4-Hydroxy-3-[3-(4-hydroxy-3-methoxy-phenyl)-acryloyl]-6-methyl-pyran-2-one
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].
7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
(2R)-5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-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
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-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
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)
10-(CYANOMETHYL)-9-FLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO[1,2,3-DE]-1,4-BENZOXAZINE-6-CARBOXYLIC ACID
C15H11FN2O4 (302.07028180000003)
3-BENZYL-2-MERCAPTO-5,6-DIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid
C12H10N6O4 (302.07635000000005)
Benzenemethanol, a-(pentafluoroethyl)-a-phenyl- (9CI)
2,2-Methylenebis(4-aminophenol) dihydrochloride
C13H16Cl2N2O2 (302.05887759999996)
4,4,5,5,6,6,7,7-OCTAFLUORO-3-OXOHEPTANOIC ACID METHYL ESTER
4-(4-Chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid
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-
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)
1H-PYRROLO[2,3-B]PYRIDIN-3-OL, 1-(PHENYLSULFONYL)-, 3-FORMATE
1H-Pyrrolo[2,3-b]pyridine, 4-methoxy-1-[(4-methylphenyl)sulfonyl]-
C15H14N2O3S (302.07250940000006)
1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID
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
N-(4-CYANO-BENZYL)-2-METHOXY-BENZENESULFONAMIDE
C15H14N2O3S (302.07250940000006)
4-Bromo-N-(tert-butyl)-5-methoxy-2-nitroaniline
C11H15BrN2O3 (302.02659800000004)
3-(2-Bromo-4-ethoxy-5-methoxyphenyl)propanoic acid
C12H15BrO4 (302.01536500000003)
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)
Methyl [6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]ca rbamate
C14H11ClN4O2 (302.05704959999997)
6,7-DIETHOXY-4-(TRIFLUOROMETHYL)COUMARIN
C14H13F3O4 (302.07658940000005)
methyl 2-(2-methoxycarbonylphenyl)sulfanylbenzoate
C16H14O4S (302.06127640000005)
5-Carboxy-2,3-diphenyl-2H-tetrazol-3-ium chloride
C14H11ClN4O2 (302.05704959999997)
9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-propanoic acid methyl ester 10-oxide
C16H15O4P (302.07079200000004)
Benzoic acid,4-chloro-3,5-dinitro-, 2-methylpropyl ester
5-chloro-3-methylpyridin-2-amine,hydrate
C12H16Cl2N4O (302.07011059999996)
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)
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-(2,4-DIMETHOXYPHENYL)-2-(4-ISOBUTYLPHENYL)PROPAN-1-ONE
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
(S)-10-(Cyanomethyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
C15H11FN2O4 (302.07028180000003)
4-CHLORO-2-(3-CHLORO-4-FLUOROPHENYL)-5-(1-METHYL-HYDRAZINO)-3-(2H)-PYRIDAZINONE
C11H9Cl2FN4O (302.01374159999995)
1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine-2-ylboronic acid
C13H11BN2O4S (302.05325560000006)
Forodesine hydrochloride
C471 - Enzyme Inhibitor > C2151 - Purine Nucleoside Phosphorylase Inhibitor
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
(E)-N-(3,5-dimethylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
C15H14N2O3S (302.07250940000006)
6-(Difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid
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].
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
5,13-Diamino-1,7,9,15-tetraoxaspiro[7.7]pentadecane-2,6,10,14-tetrone
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
C15H14N2O3S (302.07250940000006)
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)
4-[[(4-Oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid
C15H14N2O3S (302.07250940000006)
(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
C15H14N2O3S (302.07250940000006)
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)
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
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.
3-Deazaadenosine (hydrochloride)
3-Deazaadenosine (hydrochloride) is an inhibitor of S-adenosylhomocysteine hydrolase, with a Ki of 3.9 μM; 3-Deazaadenosine has anti-inflammatory, anti-proliferative and anti-HIV activity.
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
(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
{1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-oxopyrimidin-5-yl}methyl formate
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
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
(8r)-3-[(2r,3r,4r,5r)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4h,7h,8h-imidazo[4,5-d][1,3]diazepin-8-ol
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
2-(5-amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboximidic acid
C13H10N4O3S (302.04735900000003)
