Exact Mass: 336.0997686
Exact Mass Matches: 336.0997686
Found 500 metabolites which its exact mass value is equals to given mass value 336.0997686,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Berberine
Berberine is an organic heteropentacyclic compound, an alkaloid antibiotic, a botanical anti-fungal agent and a berberine alkaloid. It has a role as an antilipemic drug, a hypoglycemic agent, an antioxidant, a potassium channel blocker, an antineoplastic agent, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor, an EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor, an EC 1.21.3.3 (reticuline oxidase) inhibitor, an EC 2.1.1.116 [3-hydroxy-N-methyl-(S)-coclaurine 4-O-methyltransferase] inhibitor, an EC 3.1.1.4 (phospholipase A2) inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 2.7.11.10 (IkappaB kinase) inhibitor, an EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor, a geroprotector and a metabolite. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. Berberine is a quaternary ammonia compound found in many botanical products, including goldenseal, barberry and Oregon grape, which is used for its purported antioxidant and antimicrobial properties for a host of conditions, including obesity, diabetes, hyperlipidemia, heart failure, H. pylori infection and colonic adenoma prevention. Berberine has not been linked to serum aminotransferase elevations during therapy nor to instances of clinically apparent liver injury. Berberine is a natural product found in Berberis poiretii, Thalictrum delavayi, and other organisms with data available. Berberine is a quaternary ammonium salt of an isoquinoline alkaloid and active component of various Chinese herbs, with potential antineoplastic, radiosensitizing, anti-inflammatory, anti-lipidemic and antidiabetic activities. Although the mechanisms of action through which berberine exerts its effects are not yet fully elucidated, upon administration this agent appears to suppress the activation of various proteins and/or modulate the expression of a variety of genes involved in tumorigenesis and inflammation, including, but not limited to transcription factor nuclear factor-kappa B (NF-kB), myeloid cell leukemia 1 (Mcl-1), B-cell lymphoma 2 (Bcl-2), B-cell lymphoma-extra large (Bcl-xl), cyclooxygenase (COX)-2, tumor necrosis factor (TNF), interleukin (IL)-6, IL-12, inducible nitric oxide synthase (iNOS), intercellular adhesion molecule-1 (ICAM-1), E-selectin, monocyte chemoattractant protein-1 (MCP-1), C-X-C motif chemokine 2 (CXCL2), cyclin D1, activator protein (AP-1), hypoxia-inducible factor 1 (HIF-1), signal transducer and activator of transcription 3 (STAT3), peroxisome proliferator-activated receptor (PPAR), arylamine N-acetyltransferase (NAT), and DNA topoisomerase I and II. The modulation of gene expression may induce cell cycle arrest and apoptosis, and inhibit cancer cell proliferation. In addition, berberine modulates lipid and glucose metabolism. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. See also: Goldenseal (part of); Berberis aristata stem (part of). Berberine is a quaternary ammonium salt that belongs to the protoberberine group of benzylisoquinoline alkaloids. Chemically, berberine is classified as an isoquinoline alkaloid. More specifically, berberine is a plant alkaloid derived from tyrosine through a complex 8 step biosynthetic process. Berberine is found in plants such as Berberis vulgaris (barberry), Berberis aristata (tree turmeric), Mahonia aquifolium (Oregon grape) and Hydrastis canadensis (goldenseal). Two other known berberine-containing plants are Phellodendron chinense and Phellodendron amurense. Berberine is usually found in the roots, rhizomes, stems, and bark of Berberis plants. Due to berberines intense yellow color, plants that contain berberine were traditionally used to dye wool, leather, and wood. Under ultraviolet light, berberine shows a strong yellow fluorescence, making it useful in histology for staining heparin in mast cells. Berberine is a bioactive plant compound that has been frequently used in traditional medicine. Among the known physiological effects or bioactivities are: 1) Antimicrobial action against bacteria, fungi, protozoa, viruses, helminthes, and Chlamydia; 2) Antagonism against the effects of cholera and E coli heat-stable enterotoxin; 3) Inhibition of intestinal ion secretion and of smooth muscle contraction; 4) Reduction of inflammation and 5) Stimulation of bile secretion and bilirubin discharge (PMID:32335802). Berberine can inhibit bacterial growth in the gut, including Helicobacter pylori, protect the intestinal epithelial barrier from injury, and ameliorate liver injury. Currently, berberine is sold as an Over-the-Counter (OTC) drug for treating gastrointestinal infections in China (PMID:18442638). Berberine also inhibits the proliferation of various types of cancer cells and impedes invasion and metastasis (PMID:32335802). Recent evidence has also confirmed that berberine improves the efficacy and safety of both chemo and radiotherapies for cancer treatment (PMID:32335802). Berberine has also been shown to regulate glucose and lipid metabolism in vitro and in vivo (PMID:18442638). In fact, berberine is the main active component of an ancient Chinese herb Coptis chinensis French, which has been used to treat diabetes for thousands of years. As an anti-diabetic, berberine increases glucose uptake by muscle fibers independent of insulin levels. It triggers AMPK activation and increases glycolysis, leading to decreased insulin resistance and decreased oxygen respiration. The same mechanism leads to a reduction in gluconeogenesis in the liver. AMPK activation by berberine also leads to an antiatherosclerotic effect in mice. Berberines AMPK activation may also underlie berberines anti-obesity effects and favorable influence on weight loss (PMID:18442638). While its use as a medication is widely touted, it is important to remember that berberine inhibits CYP2D6 and CYP3A4 enzymes, both of which are involved in the metabolism of many endogenous substances and xenobiotics, including a number of prescription drugs. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. [HMDB] COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials [Raw Data] CBA98_Berberine_pos_50eV.txt [Raw Data] CBA98_Berberine_pos_10eV.txt [Raw Data] CBA98_Berberine_pos_20eV.txt [Raw Data] CBA98_Berberine_pos_40eV.txt [Raw Data] CBA98_Berberine_pos_30eV.txt Berberine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2086-83-1 (retrieved 2024-09-04) (CAS RN: 2086-83-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Dicumarol
Dicoumarol is a hydroxycoumarin that is methane in which two hydrogens have each been substituted by a 4-hydroxycoumarin-3-yl group. Related to warfarin, it has been used as an anticoagulant. It has a role as a vitamin K antagonist, an anticoagulant, an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor and a Hsp90 inhibitor. Dicoumarol is an oral anticoagulant agent that works by interfering with the metabolism of vitamin K. In addition to its clinical use, it is also used in biochemical experiments as an inhibitor of reductases. Dicumarol is a natural product found in Homo sapiens and Viola arvensis with data available. Dicumarol is a hydroxycoumarin originally isolated from molding sweet-clover hay, with anticoagulant and vitamin K depletion activities. Dicumarol is a competitive inhibitor of vitamin K epoxide reductase; thus, it inhibits vitamin K recycling and causes depletion of active vitamin K in blood. This prevents the formation of the active form of prothrombin and several other coagulant enzymes, and inhibits blood clotting. Dicumarol is only found in individuals that have used or taken this drug. It is an oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. [PubChem] Dicumarol inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decresed prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots. An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. Dicumarol is only found in individuals that have used or taken this drug. It is an oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. [PubChem]Dicumarol inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decresed prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists A hydroxycoumarin that is methane in which two hydrogens have each been substituted by a 4-hydroxycoumarin-3-yl group. D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents Isolated from Melilotus alba (white melilot)
Firocoxib
C17H20O5S (336.10313900000006)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Fenbuconazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9428; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9518; ORIGINAL_PRECURSOR_SCAN_NO 9516 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9491 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9544; ORIGINAL_PRECURSOR_SCAN_NO 9543 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9531; ORIGINAL_PRECURSOR_SCAN_NO 9529
Psoralidin
Psoralidin is a member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. It has a role as a plant metabolite and an estrogen receptor agonist. It is a member of coumestans, a polyphenol and a delta-lactone. It is functionally related to a coumestan. Psoralidin is a natural product found in Dolichos trilobus, Phaseolus lunatus, and other organisms with data available. See also: Cullen corylifolium fruit (part of). A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators Constituent of papadi (Dolichos biflorus) and the butter bean (Phaseolus lunatus). Psoralidin is found in pulses, lima bean, and fruits. Psoralidin is found in fruits. Psoralidin is a constituent of papadi (Dolichos biflorus) and the butter bean (Phaseolus lunatus). Psoralidin is a dual inhibitor of COX-2 and 5-LOX, regulates ionizing radiation (IR)-induced pulmonary inflammation.Anti-cancer, anti-bacterial, and anti-inflammatory properties[1]. Psoralidin significantly downregulates NOTCH1 signaling. Psoralidin also greatly induces ROS generation[2]. Psoralidin is a dual inhibitor of COX-2 and 5-LOX, regulates ionizing radiation (IR)-induced pulmonary inflammation.Anti-cancer, anti-bacterial, and anti-inflammatory properties[1]. Psoralidin significantly downregulates NOTCH1 signaling. Psoralidin also greatly induces ROS generation[2]. Psoralidin is a dual inhibitor of COX-2 and 5-LOX, regulates ionizing radiation (IR)-induced pulmonary inflammation.Anti-cancer, anti-bacterial, and anti-inflammatory properties[1]. Psoralidin significantly downregulates NOTCH1 signaling. Psoralidin also greatly induces ROS generation[2].
Altersolanol A
CONFIDENCE isolated standard
Dattelic acid
Isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). Dattelic acid is found in many foods, some of which are green vegetables, fruits, date, and blackcurrant. Dattelic acid is found in blackcurrant. Dattelic acid is isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2]. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
Sojagol
Sojagol is found in pulses. Sojagol is isolated from soya (leaves and hypocotyls) and from mung beans (Phaseolus aureus). Isol. from soya (leaves and hypocotyls) and from mung beans (Phaseolus aureus). Sojagol is found in soy bean and pulses.
3-Hydroxymugineic acid
C12H20N2O9 (336.11687500000005)
3-Hydroxymugineic acid is found in cereals and cereal products. 3-Hydroxymugineic acid is isolated from roots of barley (Hordeum vulgare). Isolated from roots of barley (Hordeum vulgare). 3-Hydroxymugineic acid is found in barley and cereals and cereal products.
Heterocladol
SCHEMBL13090763
C11H17N2O8P (336.07224920000004)
Glabrone
Glabrone is an isoflavonoid. Glabrone is a natural product found in Euphorbia helioscopia, Glycyrrhiza glabra, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). Glabrone is found in herbs and spices. Glabrone is a constituent of root of Glycyrrhiza glabra (licorice)
Pachyrrhizin
Pachyrrhizin is found in jicama. Pachyrrhizin is a constituent of Pachyrrhizus erosus (yam bean). Constituent of Pachyrrhizus erosus (yam bean). Pachyrrhizin is found in jicama and pulses.
3-O-Caffeoylshikimic acid
3-O-Caffeoylshikimic acid is found in date. 3-O-Caffeoylshikimic acid is a constituent of dates (Phoenix dactylifera) Constituent of dates (Phoenix dactylifera). 3-O-Caffeoylshikimic acid is found in date and fruits. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2]. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
4-O-Caffeoylshikimic acid
4-O-Caffeoylshikimic acid is found in fruits. 4-O-Caffeoylshikimic acid is isolated from unripe dates (Phoenix dactylifera). Isolated from unripe dates (Phoenix dactylifera). 4-O-Caffeoylshikimic acid is found in fruits.
3-Caffeoyl-1,5-quinolactone
3-Caffeoyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Dolineone
Dolineone is found in jicama. Dolineone is isolated from roots of Pachyrrhizus erosus (yam bean). Isolated from roots of Pachyrrhizus erosus (yam bean). Dolineone is found in jicama and pulses.
Kanzonol W
Kanzonol W is found in herbs and spices. Kanzonol W is a constituent of Glycyrrhiza glabra (licorice) roots
Isosojagol
Constituent of Phaseolus coccineus (canary grass). Isosojagol is found in pulses and scarlet bean. Isosojagol is found in pulses. Isosojagol is a constituent of Phaseolus coccineus (canary grass)
Atalantoflavone
Atalantoflavone is found in citrus. Atalantoflavone is isolated from rootbark of lemon tree
Licoagrochalcone B
Licoagrochalcone B is found in herbs and spices. Licoagrochalcone B is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagrochalcone B is found in tea and herbs and spices.
Juglone glucoside
Juglone glucoside is found in nuts. Juglone glucoside is isolated from pecan nuts. Isolated from pecan nuts. Juglone glucoside is found in nuts.
Semilepidinoside A
Semilepidinoside A is found in brassicas. Semilepidinoside A is an alkaloid from the seeds of Lepidium sativum (garden cress). Alkaloid from the seeds of Lepidium sativum (garden cress). Semilepidinoside A is found in garden cress and brassicas.
Musanolone D
Musanolone D is found in fruits. Musanolone D is a constituent of Musa acuminata (dwarf banana) (Musaceae). Constituent of Musa acuminata (dwarf banana) (Musaceae). Musanolone D is found in fruits.
Curcumin III
Curcumin III is found in herbs and spices. Curcumin III is isolated from the rhizomes of Curcuma longa (turmeric). Isolated from the rhizomes of Curcuma longa (turmeric). Curcumin III is found in herbs and spices.
Dulciol D
Dulciol D is found in fruits. Dulciol D is a constituent of Garcinia dulcis (mundu)
Phaseol
Isolated from Phaseolus aureus (mung bean). Phaseol is found in soy bean and pulses. Phaseol is found in pulses. Phaseol is isolated from Phaseolus aureus (mung bean).
Dehydroneotenone
Dehydroneotenone is found in jicama. Dehydroneotenone is isolated from Pachyrrhizus erosus (yam bean). Isolated from Pachyrrhizus erosus (yam bean). Dehydroneotenone is found in jicama and pulses.
S-Nitrosoglutathione
S-Nitrosoglutathione is a S-nitrosothiol. S-nitrosothiols (RSNOs) are thought to represent a circulating endogenous reservoir of nitric oxide (NO), and may have potential as donors of nitric oxide, distinct from currently used agents. They have the general formula RSNO, and naturally occurring examples include S-nitrosocysteine, S-nitrosoglutathione and S-nitrosoalbumin, in which R is an amino acid, polypeptide and protein respectively. RSNOs have anti-platelet properties, a theoretical role in the treatment of asthma and the potential to be used as agents to treat infectious diseases ranging from the common cold to AIDS. RSNOs are relatively unstable, being degraded to release nitric oxide and the corresponding disulphide. Their stability is influenced by the properties of the R group, heat, light, the presence of transition metal ions (in particular copper) and the presence of other thiols. RSNOs participate in transnitrosation reactions in which the -nitric oxide group is transferred to another thiol to form a more stable RSNO. Potential interactions of RSNOs include that with ascorbic acid (vitamin C), which enhances the ability of copper to catalyse their degradation. Transnitrosation reactions with thiol-containing enzymes can influence protein function, and the intracellular thiol glutathione, levels of which are influenced by many disease states, can also influence stability. Genetic and biochemical data demonstrate a pivotal role for S-nitrosothiols in mediating the actions of nitric oxide synthases (NOSs). RSNOs serve to convey NO bioactivity and to regulate protein function. S-Nitrosoglutathione breakdown is subject to precise regulation. For example, S-Nitrosoglutathione reductase (GSNOR) breaks down cytosolic S-Nitrosoglutathione, ultimately to oxidized GSH and ammonia. GSNOR, in turn, modulates the levels of some S-nitrosylated proteins. S-nitrosoglutathione, formed as nitric oxide moves away from erythrocytes in response to hemoglobin desaturation, may signal hypoxia-inducible factor-1-mediated physiologic and gene regulatory events in pulmonary endothelial cells without profound hypoxia, through a thiol-based reaction. S-Nitrosoglutathione stabilizes the alpha-subunit of hypoxia inducible factor1 (HIF-1) in normoxic cells, but not in the presence of PI3K inhibitors. (PMID: 11749666, 17541013, 16528016). S-Nitrosoglutathione is a S-nitrosothiol. S-nitrosothiols (RSNOs) are thought to represent a circulating endogenous reservoir of nitric oxide (NO), and may have potential as donors of nitric oxide, distinct from currently used agents. They have the general formula RSNO, and naturally occurring examples include S-nitrosocysteine, S-nitrosoglutathione and S-nitrosoalbumin, in which R is an amino acid, polypeptide and protein respectively. RSNOs have anti-platelet properties, a theoretical role in the treatment of asthma and the potential to be used as agents to treat infectious diseases ranging from the common cold to AIDS. RSNOs are relatively unstable, being degraded to release nitric oxide and the corresponding disulphide. Their stability is influenced by the properties of the R group, heat, light, the presence of transition metal ions (in particular copper) and the presence of other thiols. RSNOs participate in transnitrosation reactions in which the -nitric oxide group is transferred to another thiol to form a more stable RSNO. Potential interactions of RSNOs include that with ascorbic acid (vitamin C), which enhances the ability of copper to catalyse their degradation. Transnitrosation reactions with thiol-containing enzymes can influence protein function, and the intracellular thiol glutathione, levels of which are influenced by many disease states, can also influence stability. D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000890 - Anti-Infective Agents D020011 - Protective Agents Nitrosoglutathione (GSNO), a exogenous NO donor and a substrate for rat alcohol dehydrogenase class III isoenzyme, inhibits cerebrovascular angiotensin II-dependent and -independent AT1 receptor responses[1][2][3][4].
4-Caffeoyl-1,5-quinolactone
4-Caffeoyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Captopril-cysteine disulfide
Captopril-cysteine disulfide is a metabolite of captopril. Captopril is an angiotensin-converting enzyme inhibitor used for the treatment of hypertension and some types of congestive heart failure. Captopril was the first ACE inhibitor developed and was considered a breakthrough both because of its novel mechanism of action and also because of the revolutionary development process. Captopril is commonly marketed by Bristol-Myers Squibb under the trade name Capoten. (Wikipedia)
6-Methyl-griseofulvin
6-Methyl-griseofulvin is a metabolite of griseofulvin. Griseofulvin (marketed under the proprietary name Grifulvin V by Orthoneutrogena Labs, according to FDA orange book) is an antifungal drug that is administered orally. It is used both in animals and in humans, to treat fungal infections of the skin (commonly known as ringworm) and nails. It is produced by culture of some strains of the mold Penicillium griseofulvum, from which it was isolated in 1939. (Wikipedia)
Amidoxime
C18H16N4O3 (336.12223459999996)
2-Dichloromethylene-3a,7a-dichloro-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,3-dione
C12H20N2O9 (336.11687500000005)
N-(N-L-gamma-Glutamyl-S-nitroso-L-cysteinyl)glycine
1,1'-(1,8-Dioxo-1,8-octanediyl)bis-2,5-pyrrolidinedione
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
Epiberberine
Epiberberine is a natural product found in Sinomenium acutum, Corydalis turtschaninovii, and other organisms with data available.
Cyclolaurenol acetate
3,4-Dihydro-3-methyl-8-methoxy-11-hydroxybenz[a]anthracene-1,7,12(2H)-trione
[1R-(1alpha,4alpha,4aalpha,7beta,8abeta)]-4-Bromo-7-chlorodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol
5-Methoxy-3,4-methylenedioxyfurano[2,3:7,8]flavone
Ciliatin A
Carpachromene
isoderrone
A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5 and 7 and a 6,6-dimethyl-3,6-dihydro-2H-pyran across positions 3 and 4 respectively. It has been isolated from Ficus mucuso.
Licoagroisoflavone
A natural product found in Crotalaria lachnophora.
Alpinumisoflavone
Alpinumisoflavone is a member of isoflavanones. It has a role as a metabolite. Alpinumisoflavone is a natural product found in Genista ephedroides, Erythrina suberosa, and other organisms with data available. A natural product found in Ficus mucuso. Alpinumisoflavone (compound 2) is a flavonoid derivative isolated from the stem bark of Erythrina lysistemon Hutch[1]. Alpinumisoflavone (compound 2) is a flavonoid derivative isolated from the stem bark of Erythrina lysistemon Hutch[1].
Isopsoralidin
Derrone
Derrone is a natural product found in Erythrina senegalensis, Ficus nymphaeifolia, and other organisms with data available.
Sojagol
A member of the class of coumestans that is coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10.
Dolichone
Isosojagol
A member of the class of coumestans that is coumestrol with a prenyl substituent at position 10.
Psoralidin
Psoralidin is a dual inhibitor of COX-2 and 5-LOX, regulates ionizing radiation (IR)-induced pulmonary inflammation.Anti-cancer, anti-bacterial, and anti-inflammatory properties[1]. Psoralidin significantly downregulates NOTCH1 signaling. Psoralidin also greatly induces ROS generation[2]. Psoralidin is a dual inhibitor of COX-2 and 5-LOX, regulates ionizing radiation (IR)-induced pulmonary inflammation.Anti-cancer, anti-bacterial, and anti-inflammatory properties[1]. Psoralidin significantly downregulates NOTCH1 signaling. Psoralidin also greatly induces ROS generation[2]. Psoralidin is a dual inhibitor of COX-2 and 5-LOX, regulates ionizing radiation (IR)-induced pulmonary inflammation.Anti-cancer, anti-bacterial, and anti-inflammatory properties[1]. Psoralidin significantly downregulates NOTCH1 signaling. Psoralidin also greatly induces ROS generation[2].
(E)-3-hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Glutamyl-S-(C4H7O2)-Cysteine
C12H20N2O7S (336.09911700000004)
Annotation level-3
1-(4-Hydroxy-3-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenoxy)-1,3-propanediol
7-hydroxy-3-(7-methoxy-2-oxo-2H-1-benzopyran-8-yl)-2H-1-benzopyran-2-one|daphnogirin
globosuxanthone B
A member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R,3S stereoisomer). It has been isolated from Chaetomium globosum.
Erylatissin B
A member of the class of 7-hydroxyisoflavones that is isoflavone with hydroxy groups at C-7 and C-3 positions and a 2,2-dimethylpyran ring fused to ring B across positions C-4 and C-5. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities.
N-{4-[(6-Methoxy-2-methyl-4-pyrimidinyl)sulfamoyl]phenyl}acetamide
C14H16N4O4S (336.08922160000003)
2,3-Dihydro-2-(1-methylethenyl)-4-hydroxy-6-(4-hydroxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
8-methoxy-3-methyl-1naphthalenol-6-O-alpha-D-ribofuranoside
8alpha-acetoxy-2-oxo-5alpha,10alpha-dihydroxyguaia-3,11(13)-dien-1-alpha,6beta,7alphaH-12,6-olide|artemanomalide B
3-[2-(2-Hydroxypropane-2-yl)benzofuran-5-yl]-7-hydroxy-4H-1-benzopyran-4-one
8,8a-(Carbonyloxymethylene)-3-(3-furyl)-3,5,6,8a-tetrahydro-4-methyl-1H-benzo[4,5]cyclohepta[1,2-c]furan-1-one
7-(2,4-Dihydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
(6aS,11aS)-2-(prop-1-ene-2-yl)-6a,11a-dihydro-6H-benzofuro[3,2-c]furo[3,2-g]chromene-6a,9-diol
1alpha-acetoxy-8alpha,9b-dihydroxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide
3,13-Dimethyl-6,8-dihydroxy-1,2-(epoxypropano)anthracene-12-ene-9,10,11-trione
(8Z,14Z)-8-bromoheptadeca-8,14-dien-4,16-diynoic acid
(2Z)-2-(4-hydroxybenzylidene)-7,7-dimethyl-7H-furo[2,3-f]chromene-3,9(2H,8H)-dione|damaurone C
(2aS,5R,5aR,6aS,9bR,9cS)-2a,3,4,5,5a,6,6a,8,9b,9c-decahydro-6a-hydroxy-9,9c-dimethyl-2,8-dioxo-2H-naphtho[2,3-b:4,5-b,c]difuran-5-yl acetate|1beta-acetoxy-8beta-hydroxyeremophil-7(11)-ene-6alpha,15beta;8alpha,12-diolide
4,5-dihydroxy-8-(8-hydroxynaphthalene-1-yloxy)-3,4-dihydro-2H-naphthalen-1-one
5alpha,10alpha-dihydroxy-9-acetoxyarbiglovin|5alpha,10alpha-Dihydroxy-9alpha-acetoxyarbiglovin
3,4,5-Trimethoxy-4-(3,5-dimethoxy-4-hydroxyphenyl)-2,5-cyclohexadiene-1-one
7-methoxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3,4,5-triol
3-Chlor-2,4-dihydroxy-6,2-dimethoxy-4,6-dimethyl-benzophenon
5-Hydroxy-3,6-dimethoxy-7-phenyl-1H,3H-naphtho[1,8-cd]pyran-1-one
4,7-Bis(4-hydroxyphenyl)-5,6-dihydro-1,3-benzodioxole-5,6-dione
8-Chloro-2-(2-phenylethyl)-5,6,7-trihydroxy-5,6,7,8-tetrahydrochromone
(5S,6S,7S,8R)-8-chloro-5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one is a natural product found in Aquilaria sinensis with data available.
Dattelic acid
5-[(E)-caffeoyl]shikimic acid is a carboxylic ester obtained by formal condensation of the carboxy group of (E)-caffeic acid with the 5-hydroxy group of shikimic acid. It has a role as a plant metabolite. It is an alpha,beta-unsaturated monocarboxylic acid, a cyclohexenecarboxylic acid, a member of catechols and a carboxylic ester. It is functionally related to a shikimic acid and a trans-caffeic acid. It is a conjugate acid of a 5-[(E)-caffeoyl]shikimate. 5-O-Caffeoylshikimic acid is a natural product found in Smilax bracteata, Smilax corbularia, and other organisms with data available. See also: Stevia rebaudiuna Leaf (part of). Isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). Dattelic acid is found in many foods, some of which are green vegetables, fruits, date, and blackcurrant. Dattelic acid is found in blackcurrant. Dattelic acid is isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2]. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
Berberine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2521; CONFIDENCE confident structure IPB_RECORD: 821; CONFIDENCE confident structure
2-(4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid
3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
2-(4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid
3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]
3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000846183]
2-(4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid_major
(E)-3-hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid_major
3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione_major
Ala Cys Gly Ser
C11H20N4O6S (336.11035000000004)
Ala Cys Ser Gly
C11H20N4O6S (336.11035000000004)
Ala Gly Cys Ser
C11H20N4O6S (336.11035000000004)
Ala Gly Ser Cys
C11H20N4O6S (336.11035000000004)
Ala Ser Cys Gly
C11H20N4O6S (336.11035000000004)
Ala Ser Gly Cys
C11H20N4O6S (336.11035000000004)
Cys Ala Gly Ser
C11H20N4O6S (336.11035000000004)
Cys Ala Ser Gly
C11H20N4O6S (336.11035000000004)
Cys Gly Ala Ser
C11H20N4O6S (336.11035000000004)
Cys Gly Gly Thr
C11H20N4O6S (336.11035000000004)
Cys Gly Ser Ala
C11H20N4O6S (336.11035000000004)
Cys Gly Thr Gly
C11H20N4O6S (336.11035000000004)
Cys Ser Ala Gly
C11H20N4O6S (336.11035000000004)
Cys Ser Gly Ala
C11H20N4O6S (336.11035000000004)
Cys Thr Gly Gly
C11H20N4O6S (336.11035000000004)
Gly Ala Cys Ser
C11H20N4O6S (336.11035000000004)
Gly Ala Ser Cys
C11H20N4O6S (336.11035000000004)
Gly Cys Ala Ser
C11H20N4O6S (336.11035000000004)
Gly Cys Gly Thr
C11H20N4O6S (336.11035000000004)
Gly Cys Ser Ala
C11H20N4O6S (336.11035000000004)
Gly Cys Thr Gly
C11H20N4O6S (336.11035000000004)
Gly Gly Cys Thr
C11H20N4O6S (336.11035000000004)
Gly Gly Thr Cys
C11H20N4O6S (336.11035000000004)
Gly Ser Ala Cys
C11H20N4O6S (336.11035000000004)
Gly Ser Cys Ala
C11H20N4O6S (336.11035000000004)
Gly Ser Ser Ser
Gly Thr Cys Gly
C11H20N4O6S (336.11035000000004)
Gly Thr Gly Cys
C11H20N4O6S (336.11035000000004)
Ser Ala Cys Gly
C11H20N4O6S (336.11035000000004)
Ser Ala Gly Cys
C11H20N4O6S (336.11035000000004)
Ser Cys Ala Gly
C11H20N4O6S (336.11035000000004)
Ser Cys Gly Ala
C11H20N4O6S (336.11035000000004)
Ser Gly Ala Cys
C11H20N4O6S (336.11035000000004)
Ser Gly Cys Ala
C11H20N4O6S (336.11035000000004)
Ser Gly Ser Ser
Ser Ser Gly Ser
Ser Ser Ser Gly
Thr Cys Gly Gly
C11H20N4O6S (336.11035000000004)
Thr Gly Cys Gly
C11H20N4O6S (336.11035000000004)
Thr Gly Gly Cys
C11H20N4O6S (336.11035000000004)
Nitrosoglutathione
Nitrosoglutathione (GSNO), a exogenous NO donor and a substrate for rat alcohol dehydrogenase class III isoenzyme, inhibits cerebrovascular angiotensin II-dependent and -independent AT1 receptor responses[1][2][3][4].
3-Caffeoylquinic acid lactone
4-Caffeoylquinic acid lactone
Neodattelic acid
Juglone glucoside
3-HMA
C12H20N2O9 (336.11687500000005)
Isodattelic acid
(5-amino-1-benzothiophen-2-yl)-(4-phenylpiperidin-1-yl)methanone
1,1,1-Trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]-methanesulfonamide
TERT-BUTYL 5-CHLORO-2-OXOSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
3H-Xanthen-3-one,2,6,7-trihydroxy-9-(2-hydroxyphenyl)-
Methyl 4,6,7-trimethoxy-5-(methoxymethoxy)-2-naphthoate
Clonixeril
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
[4-(4-chloro-phenyl)-piperazin-1-yl]-thiophen-3-yl-acetic acid
Benzene,1,1,1-[(chlorosilylidyne)tris(methylene)]tris-
2-Methyl-2-propanyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-1-p iperidinecarboxylate
(S)-2-BENZYLOXY-1 3-PROPANEDIOL 1-(TO-
C17H20O5S (336.10313900000006)
1,2-DIMETHYL-3-SULFOPROPYL-5-TRIFLUOROMETHYLBENZIMIDAZOLIUM, INNER SALT
C13H15F3N2O3S (336.07554360000006)
2-[(4-sulfamoylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
[4-(4-chloro-phenyl)-piperazin-1-yl]-thiophen-2-yl-acetic acid
Etifoxine hydrochloride
Etifoxine hydrochloride, a non-benzodiazepine GABAergic compound, is a positive allosteric modulator of α1β2γ2 and α1β3γ2 subunit-containing GABAA receptors. Etifoxine hydrochloride reveals anxiolytic and anticonvulsant properties in rodents[1][2][3].
5-FLUORO-4-IODO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
3-(3-CYANO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H20N2O4S (336.11437200000006)
3-(4-CYANO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H20N2O4S (336.11437200000006)
3-(4-Chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
[2,4-Bis(benzyloxy)-5-pyrimidinyl]boronic acid
C18H17BN2O4 (336.12813120000004)
tert-butyl 1-[[(4-nitrophenoxy)carbonylamino]methyl]cyclopropane-1-carboxylate
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
(3R,4S)-1-(TERT-BUTOXYCARBONYL)-4-(2-NITROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
(3R,4S)-1-(TERT-BUTOXYCARBONYL)-4-(4-NITROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
4-[4-(3-chlorophenoxy)-3-oxobut-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
2-HYDROXYPROPYL 2-(METHACRYLOYLOXY)ETHYL PHTHALATE
2-BROMO-1-(3-ETHYL-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE
(R)-(-)-1-Benzyloxy-3-(p-tosyloxy)-2-propanol
C17H20O5S (336.10313900000006)
N-[(2-HYDROXY-NAPHTHALEN-1-YL)-(3-NITRO-PHENYL)-METHYL]-ACETAMIDE
methyl 4-(2-((tert-butoxycarbonyl)amino)ethyl)thiomorpholine-3-carboxylate 1,1-dioxide
[3aa,4a(E),5b,6aa]-4-[4-(3-Chlorophenoxy)-3-oxo-1-butenyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one
(4-Phenoxyphenyl) Phenyl Dimethoxysilane
C20H20O3Si (336.11816500000003)
Ethanol, 2-(2-phenoxyethoxy)-, 4-methylbenzenesulfonate
C17H20O5S (336.10313900000006)
4-(3-fluoro-2-methylphenyl)butyl 4-methylbenzenesulfonate
TERT-BUTYL 7-CHLORO-2-OXOSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
(E)-2-(4-(CYCLOPROPYLSULFONYL)PHENYL)-3-(TETRAHYDRO-2H-PYRAN-4-YL)ACRYLIC ACID
C17H20O5S (336.10313900000006)
(S)-(+)-1-Benzyloxy-3-(p-tosyloxy)-2-propanol
C17H20O5S (336.10313900000006)
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C2144 - Endothelial-Specific Integrin/Survival Signaling Inhibitor
Naproxen etemesil
C17H20O5S (336.10313900000006)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
6-(3,5-Difluoroanilino)-9-(2,2-difluoroethyl)purine-2-carbonitrile
1-Benzo[1,3]dioxol-5-yl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Aspergillusone B
A member of the class of xanthones that is methyl (1R)-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii.
5-Amino-4-(1,3-benzothiazol-6-ylhydrazinylidene)-2-phenyl-3-pyrazolone
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
C17H12N4O4 (336.08585120000004)
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-nitrobenzohydrazide
C12H12N6O4S (336.06407120000006)
3-Amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile
C17H12N4O4 (336.08585120000004)
6-(2-Chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester
4,4,6-trimethyl-5,6-dihydro-3H,4H-spiro[1,3-benzothiazole-2,1-pyrrolo[3,2,1-ij]quinolin]-2-one
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-4-(trifluoromethoxy)benzenolate
C15H11F3N4O2 (336.08340619999996)
6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1H)-one
(E)-3,4-Dihydroxy-N-[(2-Methoxynaphthalen-1-Yl)methylene]benzohydrazide
3-Hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
4-[[1-(4-Chlorophenyl)triazol-4-yl]methoxy]quinoline
[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
C11H17N2O8P (336.07224920000004)
S-(hydroxymethyl)glutathione(1-)
Conjugate base of S-(hydroxymethyl)glutathione.
2-Oxo-3-(phosphooxy)propyl 8-methyl-3-oxononanoate
(2S)-2-amino-5-[[(1R)-1-carboxy-2-(2-carboxypropylsulfanyl)ethyl]amino]-5-oxopentanoic acid
C12H20N2O7S (336.09911700000004)
[(3S,4R)-4-(6-methyloctanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
C14H25O7P (336.13378300000005)
Brasiliquinone B
A carbopolycyclic compound that is 3,4-dihydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 6 and 8 and an ethyl group at position 3 (the S stereoisomer). It is isolated from the culture broth of Nocardia brasiliensis and exhibits antibacterial activity against Gram-positive bacteria. It is also active against the multiple drug-resistant P388/ADR tumour cells.
5-(3,5-Dimethylpiperidin-1-yl)sulfonyl-1-methylindole-2,3-dione
C16H20N2O4S (336.11437200000006)
2-Amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4h-chromene
C18H16N4O3 (336.12223459999996)
3-[(5-chloro-2-pyridinyl)amino]-2-(2-pyridinyl)-3H-isoindol-1-one
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
C16H17FN2O3S (336.0943864000001)
4-(6-Fluoro-3-methyl-4-oxo-1-benzopyran-2-yl)-2-methyl-1-phthalazinone
C19H13FN2O3 (336.09101599999997)
2-ethoxy-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
C14H16N4O4S (336.08922160000003)
4-Hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid
1-phenyl-6-[(2-pyrimidinylthio)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one
C18H16N4O3 (336.12223459999996)
1-(5-Chloro-2,4-dimethoxyphenyl)-3-(phenylmethyl)thiourea
4-[(4-Carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid
2-[4-(Pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester
1-[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]ethanone (4-nitrophenyl)hydrazone
C17H16N6O2 (336.13346759999996)
3-[(2-chlorophenyl)methyl]-N-phenyl-7-triazolo[4,5-d]pyrimidinamine
N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]butanamide
C15H20N4O3S (336.12560500000006)
4-[5-[Oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester
4-[[5-(Difluoromethylthio)-4-methyl-1,2,4-triazol-3-yl]methoxy]-5-methylisoquinoline
C15H14F2N4OS (336.08563380000004)
(3S)-3-(4-methoxyphenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester
1-Phenyl-5-(N-p-tolyl-hydrazinomethylene)-pyrimidine-2,4,6-trione
C18H16N4O3 (336.12223459999996)
2-[(2-Benzylsulfanyl-pyrimidin-4-yl)-hydrazonomethyl]-phenol
5-[[2-Fluoro-4-(trifluoromethyl)anilino]methyl]-8-quinolinol
C17H12F4N2O (336.08857099999994)
7-Amino-2-(ethylsulfanyl)-5-oxo-1-phenyl-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
2-{[2-(2-chlorophenyl)-2-hydroxyethyl]amino}-N-(2-fluorobenzyl)acetamide
C17H18ClFN2O2 (336.10407699999996)
(2S,3S,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3R,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
1-[3-[(2-Amino-2-carboxyethyl)disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
N-[3-(2-methoxyphenyl)imino-1,4-dioxo-2-naphthalenyl]acetamide
[6-hydroxy-2-methoxy-3-[(E)-3-phenylprop-2-enyl]phenyl] hydrogen sulate
[4-[(E)-3-(4-hydroxy-2-methoxyphenyl)prop-1-enyl]phenyl] hydrogen sulate
[3-[(E)-3-(4-hydroxy-2-methoxyphenyl)prop-1-enyl]phenyl] hydrogen sulate
2-[(2S)-4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid
3-cyano-N-(3-methanimidoyl-4-methylindol-7-ylidene)benzenesulfonamide
Berberine
Berberine is an organic heteropentacyclic compound, an alkaloid antibiotic, a botanical anti-fungal agent and a berberine alkaloid. It has a role as an antilipemic drug, a hypoglycemic agent, an antioxidant, a potassium channel blocker, an antineoplastic agent, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor, an EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor, an EC 1.21.3.3 (reticuline oxidase) inhibitor, an EC 2.1.1.116 [3-hydroxy-N-methyl-(S)-coclaurine 4-O-methyltransferase] inhibitor, an EC 3.1.1.4 (phospholipase A2) inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 2.7.11.10 (IkappaB kinase) inhibitor, an EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor, a geroprotector and a metabolite. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. Berberine is a quaternary ammonia compound found in many botanical products, including goldenseal, barberry and Oregon grape, which is used for its purported antioxidant and antimicrobial properties for a host of conditions, including obesity, diabetes, hyperlipidemia, heart failure, H. pylori infection and colonic adenoma prevention. Berberine has not been linked to serum aminotransferase elevations during therapy nor to instances of clinically apparent liver injury. Berberine is a natural product found in Berberis poiretii, Thalictrum delavayi, and other organisms with data available. Berberine is a quaternary ammonium salt of an isoquinoline alkaloid and active component of various Chinese herbs, with potential antineoplastic, radiosensitizing, anti-inflammatory, anti-lipidemic and antidiabetic activities. Although the mechanisms of action through which berberine exerts its effects are not yet fully elucidated, upon administration this agent appears to suppress the activation of various proteins and/or modulate the expression of a variety of genes involved in tumorigenesis and inflammation, including, but not limited to transcription factor nuclear factor-kappa B (NF-kB), myeloid cell leukemia 1 (Mcl-1), B-cell lymphoma 2 (Bcl-2), B-cell lymphoma-extra large (Bcl-xl), cyclooxygenase (COX)-2, tumor necrosis factor (TNF), interleukin (IL)-6, IL-12, inducible nitric oxide synthase (iNOS), intercellular adhesion molecule-1 (ICAM-1), E-selectin, monocyte chemoattractant protein-1 (MCP-1), C-X-C motif chemokine 2 (CXCL2), cyclin D1, activator protein (AP-1), hypoxia-inducible factor 1 (HIF-1), signal transducer and activator of transcription 3 (STAT3), peroxisome proliferator-activated receptor (PPAR), arylamine N-acetyltransferase (NAT), and DNA topoisomerase I and II. The modulation of gene expression may induce cell cycle arrest and apoptosis, and inhibit cancer cell proliferation. In addition, berberine modulates lipid and glucose metabolism. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. See also: Goldenseal (part of); Berberis aristata stem (part of). Berberine is a quaternary ammonium salt that belongs to the protoberberine group of benzylisoquinoline alkaloids. Chemically, berberine is classified as an isoquinoline alkaloid. More specifically, berberine is a plant alkaloid derived from tyrosine through a complex 8 step biosynthetic process. Berberine is found in plants such as Berberis vulgaris (barberry), Berberis aristata (tree turmeric), Mahonia aquifolium (Oregon grape) and Hydrastis canadensis (goldenseal). Two other known berberine-containing plants are Phellodendron chinense and Phellodendron amurense. Berberine is usually found in the roots, rhizomes, stems, and bark of Berberis plants. Due to berberines intense yellow color, plants that contain berberine were traditionally used to dye wool, leather, and wood. Under ultraviolet light, berberine shows a strong yellow fluorescence, making it useful in histology for staining heparin in mast cells. Berberine is a bioactive plant compound that has been frequently used in traditional medicine. Among the known physiological effects or bioactivities are: 1) Antimicrobial action against bacteria, fungi, protozoa, viruses, helminthes, and Chlamydia; 2) Antagonism against the effects of cholera and E coli heat-stable enterotoxin; 3) Inhibition of intestinal ion secretion and of smooth muscle contraction; 4) Reduction of inflammation and 5) Stimulation of bile secretion and bilirubin discharge (PMID:32335802). Berberine can inhibit bacterial growth in the gut, including Helicobacter pylori, protect the intestinal epithelial barrier from injury, and ameliorate liver injury. Currently, berberine is sold as an Over-the-Counter (OTC) drug for treating gastrointestinal infections in China (PMID:18442638). Berberine also inhibits the proliferation of various types of cancer cells and impedes invasion and metastasis (PMID:32335802). Recent evidence has also confirmed that berberine improves the efficacy and safety of both chemo and radiotherapies for cancer treatment (PMID:32335802). Berberine has also been shown to regulate glucose and lipid metabolism in vitro and in vivo (PMID:18442638). In fact, berberine is the main active component of an ancient Chinese herb Coptis chinensis French, which has been used to treat diabetes for thousands of years. As an anti-diabetic, berberine increases glucose uptake by muscle fibers independent of insulin levels. It triggers AMPK activation and increases glycolysis, leading to decreased insulin resistance and decreased oxygen respiration. The same mechanism leads to a reduction in gluconeogenesis in the liver. AMPK activation by berberine also leads to an antiatherosclerotic effect in mice. Berberines AMPK activation may also underlie berberines anti-obesity effects and favorable influence on weight loss (PMID:18442638). While its use as a medication is widely touted, it is important to remember that berberine inhibits CYP2D6 and CYP3A4 enzymes, both of which are involved in the metabolism of many endogenous substances and xenobiotics, including a number of prescription drugs. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. 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Firocoxib
C17H20O5S (336.10313900000006)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyridine-3-carboxamide
C11H17N2O8P (336.07224920000004)
S-nitrosoglutathione
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000890 - Anti-Infective Agents D020011 - Protective Agents Nitrosoglutathione (GSNO), a exogenous NO donor and a substrate for rat alcohol dehydrogenase class III isoenzyme, inhibits cerebrovascular angiotensin II-dependent and -independent AT1 receptor responses[1][2][3][4].
1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
5-[(E)-caffeoyl]shikimic acid
A carboxylic ester obtained by formal condensation of the carboxy group of (E)-caffeic acid with the 5-hydroxy group of shikimic acid.
garciniaxanthone G
An organic heteropentacyclic compound that is 6H-furo[3,2-c]xanthen-6-one substituted by hydroxy groups at positions 7 and 10 and a 2-methylbut-3-en-2-yl group at position 8. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity.
NMNH
C11H17N2O8P (336.07224920000004)
A nicotinamide mononucleotide that is obtained by addition of hydride to position 4 on the pyridine ring of NMN(+).
4-bromo-5-[(1r,2s,5s)-1,2-dimethylbicyclo[3.1.0]hexan-2-yl]-2-methylphenyl acetate
[5-(hydroxymethyl)-6-[(1e)-3-hydroxyprop-1-en-1-yl]-4-methoxy-2-oxopyran-3-yl]methyl (2z,4e)-hexa-2,4-dienoate
(4as,5r,8s,8as)-5,8-dihydroxy-4a,5,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
4-{1-[(2r,3e,4e)-4-ethylidene-2-(furan-3-yl)-5-oxooxolan-3-ylidene]ethyl}-3h-2-benzofuran-1-one
5,7-dihydroxy-2-(1-hydroxy-4,4-dimethoxycyclohexyl)chromen-4-one
(1s,2s,10r,12r,13s,16r)-5,8,12,16-tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.0²,¹³.0⁴,⁹]hexadeca-4,6,8-trien-3-one
(1r,2r,10s,12s,13r,16s)-5,8,12,16-tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.0²,¹³.0⁴,⁹]hexadeca-4,6,8-trien-3-one
(3ar,4s,5s,11ar)-6-formyl-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl acetate
(3ar,4s,6as,9r,9as,9bs)-6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(4s)-4,5-dihydroxy-8-[(8-hydroxynaphthalen-1-yl)oxy]-3,4-dihydro-2h-naphthalen-1-one
(4ar,8s,8as,9as)-4a,9a-dihydroxy-3,5,8a-trimethyl-2,7-dioxo-4h,8h,9h-naphtho[2,3-b]furan-8-yl acetate
7-(prop-1-en-2-yl)-6,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2,4,7,9,13,15,17-heptaene-1,16-diol
(13r)-5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
(2r)-4-ethenyl-3-[(1r)-1-(1-oxo-3h-2-benzofuran-4-yl)ethyl]-2h-[2,3'-bifuran]-5-one
7-bromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol
(1s,2r,3r,4r)-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
2-(4-hydroxybenzoyl)-5-isopropyl-3,5-dimethoxypyrazine-2,6-diol
2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-3-yl acetate
2-[(1s,2e,3s)-2-(bromomethylidene)-1,3-dimethylcyclopentyl]-5-methylphenyl acetate
(1s,7s,8s,11s)-11-(hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.0¹,⁹.0³,⁸]tetradeca-3,5-dien-7-yl acetate
1,2,3,4,7-pentahydroxy-5-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
methyl (1s,2s,3s)-2,3,8-trihydroxy-6-(hydroxymethyl)-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
methyl (2s)-5-hydroxy-2-[(2s,3s,4r)-4-hydroxy-3-methyl-5-oxooxolan-2-yl]-4-oxo-3h-1-benzopyran-2-carboxylate
(1s,2r,3r,5s,9s,10s,11r)-3-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-2-yl acetate
8-chloro-5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-en-1-yl)chromene-6-carboxylic acid
C18H21ClO4 (336.11282960000005)