Exact Mass: 276.0553178
Exact Mass Matches: 276.0553178
Found 500 metabolites which its exact mass value is equals to given mass value 276.0553178,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flutamide
C11H11F3N2O3 (276.07217319999995)
Flutamide is only found in individuals that have used or taken this drug. It is an antiandrogen with about the same potency as cyproterone in rodent and canine species.Flutamide is a nonsteroidal antiandrogen that blocks the action of both endogenous and exogenous testosterone by binding to the androgen receptor. In addition Flutamide is a potent inhibitor of testosterone-stimulated prostatic DNA synthesis. Moreover, it is capable of inhibiting prostatic nuclear uptake of androgen. CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4302; ORIGINAL_PRECURSOR_SCAN_NO 4299 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4297; ORIGINAL_PRECURSOR_SCAN_NO 4293 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4293; ORIGINAL_PRECURSOR_SCAN_NO 4288 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4279; ORIGINAL_PRECURSOR_SCAN_NO 4275 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4286; ORIGINAL_PRECURSOR_SCAN_NO 4284 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4299; ORIGINAL_PRECURSOR_SCAN_NO 4298 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8567 CONFIDENCE standard compound; INTERNAL_ID 2350 D000970 - Antineoplastic Agents
Glutamylglutamic acid
Glutamylglutamic acid is a dipeptide composed of two glutamic acid residues, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylglutamic acid is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. KEIO_ID G043; [MS2] KO008970 KEIO_ID G043
6-Phosphogluconic acid
6-phosphogluconic acid, also known as 6-phospho-D-gluconate or D-gluconic acid 6-(dihydrogen phosphate), is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 6-phosphogluconic acid is soluble (in water) and a moderately acidic compound (based on its pKa). 6-phosphogluconic acid can be found in a number of food items such as purple mangosteen, nopal, chicory leaves, and common sage, which makes 6-phosphogluconic acid a potential biomarker for the consumption of these food products. 6-phosphogluconic acid can be found primarily in blood, cellular cytoplasm, and saliva, as well as throughout most human tissues. 6-phosphogluconic acid exists in all living species, ranging from bacteria to humans. In humans, 6-phosphogluconic acid is involved in the pentose phosphate pathway. 6-phosphogluconic acid is also involved in few metabolic disorders, which include glucose-6-phosphate dehydrogenase deficiency, ribose-5-phosphate isomerase deficiency, transaldolase deficiency, and warburg effect. 6-phosphogluconic acid is formed by 6-phosphogluconolactonase, and acted upon by phosphogluconate dehydrogenase to produce ribulose 5-phosphate. It may also be acted upon by 6-phosphogluconate dehydratase to produce 2-keto-3-deoxy-6-phosphogluconate . 6-Phosphogluconic acid, also known as 6-phospho-D-gluconate or gluconic acid-6-phosphate, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 6-Phosphogluconic acid exists in all living species, ranging from bacteria to humans. Within humans, 6-phosphogluconic acid participates in a number of enzymatic reactions. In particular, 6-phosphogluconic acid can be biosynthesized from gluconolactone; which is mediated by the enzyme 6-phosphogluconolactonase. In addition, 6-phosphogluconic acid can be converted into D-ribulose 5-phosphate through the action of the enzyme 6-phosphogluconate dehydrogenase, decarboxylating. In humans, 6-phosphogluconic acid is involved in the metabolic disorder called the transaldolase deficiency pathway. Outside of the human body, 6-Phosphogluconic acid has been detected, but not quantified in several different foods, such as cascade huckleberries, common chokecherries, half-highbush blueberries, american cranberries, and okra. [Spectral] 6-Phospho-D-gluconate (exact mass = 276.02463) and Phosphoenolpyruvate (exact mass = 167.98237) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. KEIO_ID P031
2-Carboxyarabinitol 1-phosphate
2-carboxyarabinitol 1-phosphate, also known as 1-pac, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2-carboxyarabinitol 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxyarabinitol 1-phosphate can be found in a number of food items such as soy bean, potato, yellow wax bean, and common bean, which makes 2-carboxyarabinitol 1-phosphate a potential biomarker for the consumption of these food products.
5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene
5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is found in herbs and spices. 5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is isolated from Tagetes specie Isolated from Tagetes subspecies [DFC]. 5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is found in herbs and spices.
4-Hydroxycyclophosphamide
4-Hydroxycyclophosphamide is a primary activation metabolite of cyclophosphamide and of mafosfamide (an experimental drug) after they partially metabolized by cytochrome P450 (PMID: 12021633). Cyclophosphamide is a chemotherapeutic used to suppress the immune system and to treat several cancers including lymphoma, multiple myeloma, leukemia, ovarian cancer, breast cancer and small cell lung cancer. After cyclphosphamide is converted to 4-hydroxycyclophosphamide it is then partially tautomerized into aldophosphamide, which easily enters live cells whereupon it is partially detoxified into inactive carboxycyclophosphamide by the enzyme ALDH. 4-Hydroxycyclophosphamide is also an intermediate metabolite in the formation of phosphoramide mustard, the active metabolite, and acrolein, the metabolite responsible for much of the toxicity associated with cyclophosphamides (PMID: 7059981). 4-Hydroxycyclophosphamide is not cytotoxic at physiologic pH, readily diffuses into cells and spontaneously decomposes into the active phosphoramide mustard. In human liver microsomes, 4-Hydroxycyclophosphamide formation correlates with known phenotypic markers of CYP2B6 activity, specifically formation of (S)-2-ethyl-1,5-dimethyl-3,3-diphenyl pyrrolidine and hydroxybupropion. In addition, it is reported that the CYP2B6 genotype is not consistently related to 4-Hydroxycyclophosphamide formation in vitro or in vivo (PMID: 21976622). 4-Hydroxycyclophosphamide is only found in individuals who have consumed the drug cyclophosphamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Aldophosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Ranunculin
Gamma-glutamylglutamate
gammaGlutamylglutamic acid is made of two glutamic acid molecules. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serves as metabolic fuel or other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: * Damage to mitochondria from excessively high intracellular Ca2+. * Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produces spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization. (http://en.wikipedia.org/wiki/Glutamic_acid) [HMDB] gamma-Glutamylglutamic acid is a dipeptide composed of gamma-glutamate and glutamic acid. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serve as metabolic fuel and other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: (1) damage to mitochondria from excessively high intracellular Ca2+ (2) Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. Glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produce spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization (Wikipedia).
Benzo[ghi]perylene
2-Chloro-5-nitro-N-phenylbenzamide
CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4257; ORIGINAL_PRECURSOR_SCAN_NO 4255 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3923; ORIGINAL_PRECURSOR_SCAN_NO 3921 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4307; ORIGINAL_PRECURSOR_SCAN_NO 4305 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3920; ORIGINAL_PRECURSOR_SCAN_NO 3918 GW9662 is a potent and selective PPARγ antagonist with an IC50 of 3.3 nM, showing 10 and 1000-fold selectivity over PPARα and PPARδ, respectively.
4-Hydroxyifosfamide
4-Hydroxyifosfamide is the active metabolite of the bifunctional alkylating cytostatic drug known as ifosfamide. 4-Hydroxyifosfamide is a member of the compound class known as oxazaphosphorines. Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. 4-Hydroxyifosfamide is very unstable in plasma and a stabilization procedure by adding citric acid has been developed (PMID: 9172103). 4-Hydroxyifosfamide is known to pass through the blood-brain barrier, and can reach cerebrospinal fluid concentrations that are almost as high as plasma concentrations (PMID: 9677448). 4-Hydroxyifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Aldoifosfamide
Aldoifosfamide is a metabolite of ifosfamide. Ifosfamide (pronounced eye. fos. fa. mide) (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia)
Indeno[1,2,3-cd]pyrene
Biotin sulfone
Biotin sulfone is a natural biotin metabolite in human urine. (PMID 9039841). The urinary excretion of biotin sulfone a increased with biotin administration. (PMID 9022537). Biotin sulfone is first isolated as a natural metabolite of biotin.
sulfabenzamide
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
chlorpropamide
C10H13ClN2O3S (276.03353780000003)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4086; ORIGINAL_PRECURSOR_SCAN_NO 4084 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4103; ORIGINAL_PRECURSOR_SCAN_NO 4100 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4094; ORIGINAL_PRECURSOR_SCAN_NO 4092 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4084; ORIGINAL_PRECURSOR_SCAN_NO 4083 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4194; ORIGINAL_PRECURSOR_SCAN_NO 4191 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4083; ORIGINAL_PRECURSOR_SCAN_NO 4082
Clenbuterol
Clenbuterol is only found in individuals that have used or taken this drug. It is a substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma. [PubChem]Clenbuterol is a Beta(2) agonist similar in some structural respects to salbutamol. Agonism of the beta(2) receptor stimulates adenylyl cyclase activity which ultimately leads to downstream effects of smooth muscle relaxation in the bronchioles. Potential food contaminant arising from its illicit use to improve carcass quality and productivity in cattle. Approved tocolytic agent for cows in several European countries R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Chlorpropamide
C10H13ClN2O3S (276.03353780000003)
Chlorpropamide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating I cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic I cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Chlorpropamide is not recommended for the treatment of NIDDM as it increases blood pressure and the risk of retinopathy (UKPDS-33). Up to 80\\% of the single oral dose of chlorpropramide is metabolized, likely in the liver; 80-90\\% of the dose is excreted in urine as unchanged drug and metabolites. Renal and hepatic dysfunction may increase the risk of hypoglycemia. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
Aldophosphamide
Detoxification of cyclophosphamide is effected, in part, by hepatic class 1 aldehyde dehydrogenase (ALDH-1)-catalyzed oxidation of aldophosphamide, a pivotal aldehyde intermediate, to the nontoxic metabolite, carboxyphosphamide. Detoxification of aldophosphamide may also be effected by enzymes, viz. Thus, NAD-linked oxidation and NADPH-linked reduction of aldophosphamide catalyzed by relevant erythrocyte enzymes were quantified. (PMID: 9394035) Class 1 aldehyde dehydrogenases (ALDH-1) function as drug resistance gene products by catalyzing the irreversible conversion of aldophosphamide, an active metabolite of cyclophosphamide, to an inert compound. (PMID: 9322086) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-Carboxyarabinitol 5-phosphate
2-Carboxyarabinitol 5-phosphate is found in pulses. 2-Carboxyarabinitol 5-phosphate is isolated from the leaves of Phaseolus vulgaris (kidney bean). Isolated from the leaves of Phaseolus vulgaris (kidney bean). 2-Carboxyarabinitol 5-phosphate is found in pulses, yellow wax bean, and green bean.
O-Demethylfonsecin
O-Demethylfonsecin is a pigment from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Pigment from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
Dihydroferulic acid 4-O-sulfate
Dihydroferulic acid 4-O-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Dihydroferulic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
Thymidine glycol
Thymidine glycol belongs to the family of Pyrimidine 2-deoxyribonucleosides and Analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.
Suprofen S-oxide
Suprofen S-oxide is a metabolite of suprofen. Suprofen is a non-steroidal anti-inflammatory drug (NSAID) developed by Janssen Pharmaceutica that was marketed as 1\\% eye drops under the trade name Profenal. (Wikipedia)
Thiophene-4,5-epoxide
Thiophene-4,5-epoxide is a metabolite of suprofen. Suprofen is a non-steroidal anti-inflammatory drug (NSAID) developed by Janssen Pharmaceutica that was marketed as 1\\% eye drops under the trade name Profenal. (Wikipedia)
6-phosphonatooxy-D-gluconate
6-phosphonatooxy-D-gluconate is also known as 6-phospho-D-Gluconic acid. 6-phosphonatooxy-D-gluconate is considered to be soluble (in water) and acidic
3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid
3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3-hydroxy-4-methoxyphenyl)propanoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
1-(3-Fluoro-4-hydroxy-5-mercaptomethyltetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
2-beta-d-Ribofuranosyl thiazole-4-carboxamide
4H-1,3,2-Benzodioxaphosphorin, 2-(2-methylphenoxy)-, 2-oxide
Meisoindigo
Meisoindigo (Dian III), a derivative of Indirubin (HY-N0117), halts the cell cycle at the G0/G1 phase and induces apoptosis in primary acute myeloid leukemia (AML) cells. Meisoindigo exhibits high antitumor activity[1][2].
1-[(3R,4R,5R)-3-Fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
1-Phenyl-1,4-epoxy-1h,4h-naphtho[1,8-de][1,2]dioxepin
Tanshinone I
TTE-50
Tanshinone I is an abietane diterpenoid. It has a role as an anticoronaviral agent. Tanshinone I is a natural product found in Salvia miltiorrhiza, Salvia digitaloides, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).
3-Chloro-2-oxo-1(10),3,7(11),8-guiatetraen-12,6-olide
3-Hydroxy-4-phenyl-1H,3H-naphtho[1,8-cd]pyran-1-one
Ethyl 2-cyano-3-[2-(2-thienyl)tetrahydro-1H-pyrrol-1-yl]acrylate
2-Phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
tanshinone I
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).
2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
3-Chloro-2-oxo-1(10), 3, 7(11), 8-guiatetraen-12, 6-olide
6,8-dihydroxy-4-methyl-7 h-benz(de) anthracen-7-one
(S,S)-gamma-glutamyl-(cis-S-1-propenyl)thioglycine|gamma-glutamyl-cis-S-1-propenyl-L-cysteine
2-Oxo-4-(3,4-dihydroxyphenethyl)-2H-pyran-6-carboxylic acid
2-Chloro-7-hydroxy-3-methoxy-1,9-dimethyldibenzofuran
1,3-dihydroxy-10-(ethoxycarbonyl)benzotropolone|ethyl 2,4,6-trihydroxy-5-oxo-5H-benzo[b]cycloheptene-8-carboxylate|goupiolone A
6-carboxy-7-isobutyryloxy-coumarin|6-Carboxy-7-isobutyryloxy-cumarin|6-carboxy-7-isobutyryloxycoumarin
1H-Dibenzo(de,g)quinolin-1-one, 7-amino-2-methoxy-
2-(1-Acetoxy-aethyl)-5-(thienyl-(2)-aethinyl)-thiophen|2-(1-Acetoxy-aethyl)-5--thiophen|2-(1-Acetoxyaethyl)-5-<(2-thienyl)aethinyl>thiophen|Ac-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol
6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and (2,4-dihydroxy-6-methylphenyl)-2-oxoethyl groups respectively.
dian III
Meisoindigo (Dian III), a derivative of Indirubin (HY-N0117), halts the cell cycle at the G0/G1 phase and induces apoptosis in primary acute myeloid leukemia (AML) cells. Meisoindigo exhibits high antitumor activity[1][2].
clenbuterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 3592 CONFIDENCE standard compound; INTERNAL_ID 1099
flutamide
C11H11F3N2O3 (276.07217319999995)
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000970 - Antineoplastic Agents
C14H12O6_Spiro[cyclopent-4-ene-1,1(3H)-isobenzofuran]-3,3-dione, 2,4-dihydroxy-6-methoxy-5-methyl
Biotin sulfone
A member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide. Biotin sulfone is first isolated as a natural metabolite of biotin.
Thymidine glycol
2-(4-CHLORO-2-METHOXY-[1,1-BIPHENYL]-3-YL)ACETIC ACID
2-(4-CHLORO-2-METHOXY-[1,1-BIPHENYL]-4-YL)ACETIC ACID
Acetamide,2-chloro-N-[4-[(dimethylamino)sulfonyl]phenyl]-
C10H13ClN2O3S (276.03353780000003)
methyl 3-(benzoylamino)-2-cyano-3-(methylthio)acrylate
4-CHLORO-7-ISOPROPOXY-6-METHOXYQUINOLINE-3-CARBONITRILE
N-(2-Aminoethyl)-2-(2,6-dichlorophenoxy)propanamide
[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid
4-(METHYLSULFONYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-(2-CHLORO-5-METHOXY-[1,1-BIPHENYL]-4-YL)ACETIC ACID
Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate
Benzoic acid,4-chloro-, 1-(4-methoxyphenyl)hydrazide
2-chloro-5-morpholin-4-ylsulfonylaniline
C10H13ClN2O3S (276.03353780000003)
N-(4-methoxyphenyl)benzene-1,4-diamine; sulfuric acid
2-(2-ETHYL-PYRIDIN-4-YL)-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
ethyl-2-methyl-4-(2-chlorophenyl)-5-pyrimidine carboxylate
ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
SPIRO[FURO[3,4-C]PYRIDINE-1(3H),4-PIPERIDIN]-3-ONEHYDROCHLORIDE
ETHYL5-AMINO-1-(2-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
Ethyl 2-[4-(dimethylamino)phenyl]-1,3-thiazole-4-carboxylate
4-(2-HYDROXYETHYL)PIPERAZINE-1-ETHANESULFONIC ACID POTASSIUM SALT
C8H17KN2O4S (276.05460619999997)
potassium,trifluoro-[4-(4-hydroxyphenyl)phenyl]boranuide
C12H9BF3KO (276.03355899999997)
2-[2-(4-acetylanilino)-1,3-thiazol-4-yl]acetic acid
METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE
7H-Furo[3,2-g][1]benzopyran-7-one,3-(chloromethyl)-2,5,9-trimethyl-
Benzaldehyde,3-chloro-, 2-[(3-chlorophenyl)methylene]hydrazone
DCB (3,3′-dichlorobenzaldazine) is an neutral allosteric modulator of the metabotropic glutamate receptor metabotropic glutamate receptor subtype 5 (mGluR5). DCB blocks the positive allosteric regulation of mGluRs (mGluR5) with the help of 3,3′-difluorobenzaldazine (DFB). DCB shows the negative modulatory effect of 3,3′-dimethoxybenzaldazine (DMeOB)[1].
4-fluoro-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine
ETHYL5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide
ethyl 2-methyl-4,5,6,7-tetrafluorobenzofuran-3-carboxylate
C12H8F4O3 (276.04095459999996)
7-chloro-N-(p-tolyl)thiazolo[5,4-d]pyrimidin-2-amine
C12H9ClN4S (276.02364239999997)
2-[(4-bromoimidazol-1-yl)methoxy]ethyl-trimethylsilane
C9H17BrN2OSi (276.02934519999997)
Dichlorodi-p-xylylene
D001697 - Biomedical and Dental Materials
4-(METHYLSULFONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
1,4,5,6-TETRAHYDRO-2-METHYL-4-(2-NITROPHENYL)-6-OXO-3-PYRIDINECARBOXYLIC ACID
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(NITRO)PHENYL]-3-PYRIDINECARBOXYLIC ACID
7-(hydroxymethyl)-4,9-dimethoxyfuro[3,2-g]chromen-5-one
4-(METHYLSULFONYL)[1,1-BIPHENYL]-2-CARBOXYLIC ACID
Ethyl 2-(4-chlorophenyl)-4-methyl-5-pyrimidinecarboxylate
phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate
4-HYDROXY-6-METHYL-QUINOLINE-3-CARBOXYLICACIDETHYLESTER
4-[(4-chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde
2,2-(2-HYDROXYPROPANE-1,3-DIYLDISULFONYL)DIETHANOL
1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
1H-Pyrrolo[2,3-b]pyridine, 6-fluoro-1-(phenylsulfonyl)-
TERT-BUTYL (2-CHLORO-5-FLUORO-6-METHOXYPYRIDIN-3-YL)CARBAMATE
2-(4-Chlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
Benzenesulfonic acid,4-methyl-, 2-phenylethyl ester
4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
2-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-5-YL]-THIOPHENE-5-CARBOXYLIC ACID
β-Alanine,N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]- (9CI)
N-[3-[(Dimethylamino)methylene]-3,4-dihydro-4-oxo-2H-1-benzothiopyran-6-yl]acetamide
4-(Chlorosulfonyl)phenyl pivalate
C11H13ClO4S (276.02230480000003)
ETHYLENEDIAMINE-N,N-DIPROPIONIC ACID DIHYDROCHLORIDE
C8H18Cl2N2O4 (276.06435680000004)
1,14-DIMETHYL-4,10-DIOXATETRACYCLO[5.5.2.0(2,6).0(8,12)]TETRADEC-13-ENE-3,5,9,11-TETRAONE
3-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDO[3,4-E][1,2,4]TRIAZINE
ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
3-(Aminomethyl)-4-chloro-N-isobutylbenzamide hydrochloride
METHYL 4-HYDROXY-1-(4-METHOXYPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE
4-(2-Fluoro-4-nitrophenoxy)piperidine hydrochloride
3-(7-Chloro-8-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
C12H9ClN4S (276.02364239999997)
3-(6-Chloro-8-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
C12H9ClN4S (276.02364239999997)
2,4-Difluorophenyl-(4-piperidinyl) methanone oxime hydrochloride
Benzaldehyde,2-chloro-, 2-[(2-chlorophenyl)methylene]hydrazone
ETHYL5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
2H-Isoindole-2-aceticacid, a-(3-amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-,(aS)-
3-(7-Chloro-6-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
C12H9ClN4S (276.02364239999997)
ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
5-(1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)THIOPHENE-2-CARBOXYLIC ACID
ETHYL 7-METHOXYIMIDAZO[2,1-B]BENZOTHIAZOLE-2-CARBOXYLATE
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]MORPHOLINE
C11H11F3N2O3 (276.07217319999995)
4-METHYL-5-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-1,3-THIAZOL-2-AMINE
N-(4-Chloro-6-methyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
C12H9ClN4S (276.02364239999997)
Oxifungin hydrochloride
C254 - Anti-Infective Agent > C514 - Antifungal Agent
(5-hydroxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
N-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbohydrazide
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
2-[(2-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine hydrochloride
2-{[(4-Methoxybenzoyl)oxy]ethanimidoyl}-1,3-thiazole
3-Phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-2,5-dione
2-(4-Chlorobenzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
7H-Furo[3,2-g][1]benzopyran-7-one, 4,5,6-trimethoxy-
N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
1-{[N-(1-Imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
Thiamylal sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Tanshinon I
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).
4-(7-Hydroxy-5-methyl-4-oxochromen-2-yl)-3-oxobutanoic acid
2-(2,4-Dihydroxy-6-methylbenzoyl)benzene-1,3,5-triol
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate
3-(2-Methyloxiran-2-yl)propyl phosphono hydrogen phosphate
(2S,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid
1-[(3R,4R,5R)-3-Fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
Sulfanyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
N-[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
N-[(E)-(5-nitrothiophen-2-yl)methylidene]pyridine-2-carbohydrazide
5-(2-Chloro-4-fluorophenyl)-3-(2-pyrazinyl)-1,2,4-oxadiazole
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
4-Amino-2-(4-chlorophenyl)-6-(methylthio)pyrimidine-5-carbonitrile
C12H9ClN4S (276.02364239999997)
1-(1,3-Benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxyacetamide
N-(3-chlorophenyl)-N-[(3-chlorophenyl)methylidene]methanimidamide
3-(2-chloro-6-fluorophenyl)-N-4-pyridinylacrylamide
N-acetyl-S-(2-succino)-L-cysteine
C9H10NO7S-3 (276.01779700000003)
Dehydrocitreoisocoumarin
A member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2,4-dioxopentyl group at position 3 and by hydroxy groups at positions 6 and 8.
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2-)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[f]chromen-1-one
N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]propanamide
2-[(3-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridin-5-ium
3,4,5-Trihydroxy-6-(3-methylbut-2-enoyloxy)oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[(E)-2-methylbut-2-enoyl]oxyoxane-2-carboxylic acid
[4-(3-Hydroxybutyl)-2-methoxyphenyl] hydrogen sulate
4-(4-Hydroxy-3-methoxyphenyl)butan-2-yl hydrogen sulate
4-Hydroxycyclophosphamide
A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
GW 9662
GW9662 is a potent and selective PPARγ antagonist with an IC50 of 3.3 nM, showing 10 and 1000-fold selectivity over PPARα and PPARδ, respectively.
4-Hydroxyifosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-[4-(3,4-Dihydroxyphenyl)-3-fluorophenyl]propanoic acid
6-Phospho-D-gluconic acid
A gluconic acid phosphate having the phosphate group at the 6-position. It is an intermediate in the pentose phosphate pathway.
YWA1
A heptaketide that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2 and four hydroxy substituents at positions 2, 5, 6 and 8.
PT-262
PT-262 is a potent ROCK inhibitor with an IC50 value of around 5 μM. PT-262 induces the loss of mitochondrial membrane potential and elevates the caspase-3 activation and apoptosis. PT-262 inhibits the ERK and CDC2 phosphorylation via a p53-independent pathway. PT-262 blocks cytoskeleton function and cell migration. PT-262 has anti-cancer activity[1][2].
3,7,9-trihydroxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
(5s,6r,7r,8r)-8-chloro-6,7-dihydroxy-5-methoxy-2,2-dimethyl-5,6,7,8-tetrahydro-3h-1-benzopyran-4-one
7-hydroxy-5-methoxy-3-(5-methyl-2-oxo-5h-furan-3-yl)-3h-2-benzofuran-1-one
(2s,4'as,6'r,7'r,8's,8'ar)-7',8'-dihydroxy-6'-(hydroxymethyl)-hexahydrospiro[oxolane-2,2'-pyrano[2,3-b][1,4]dioxin]-5-one
(2s)-2-amino-4-{[(1s)-1-carboxy-2-(ethenylsulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
5-hydroxy-1,7-dimethoxy-1h,3h-naphtho[2,3-c]furan-4,9-dione
(2r,3r,4s,5s,6r)-2-[(5-hydroxyfuran-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (2z)-3-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)prop-2-enoate
8-hydroxy-2-(hydroxymethyl)-9-methoxy-5h-pyrano[3,2-c]chromen-4-one
2,5,7-trihydroxy-1-methoxy-4a,9a-dihydroxanthen-9-one
7,9-dihydroxy-6-methoxy-3-methyl-1h-pyrano[4,3-b]chromen-10-one
(5s,6r,7r,8s)-8-chloro-6,7-dihydroxy-5-methoxy-2,2-dimethyl-5,6,7,8-tetrahydro-3h-1-benzopyran-4-one
[(3ar)-6,8-dihydroxy-1-oxo-2h,3h-cyclopenta[b]chromen-3a-yl]acetic acid
(1r)-5-hydroxy-1,7-dimethoxy-1h,3h-naphtho[2,3-c]furan-4,9-dione
5-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-furan-3-one
(2r,3r,4r)-3,4,9-trihydroxy-2-methyl-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione
(1s)-1,6-dihydroxy-8-methoxy-1-methyl-2h-cyclopenta[c]isochromene-3,5-dione
(4r,5r,6s)-5-chloro-4,6-dihydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylcyclohex-2-en-1-one
3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one
5-chloro-4,6-dihydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylcyclohex-2-en-1-one
2-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)-2-oxoethyl acetate
(3s)-7-hydroxy-3-methyl-10-oxo-1h,3h,4h-pyrano[4,3-b]chromene-9-carboxylic acid
7',8'-dihydroxy-6'-(hydroxymethyl)-hexahydrospiro[oxolane-2,2'-pyrano[2,3-b][1,4]dioxin]-5-one
(3s)-3-hydroxy-4-(5-hydroxy-1,4-dioxonaphthalen-2-yl)butanoic acid
2-amino-4-{[1-carboxy-2-(ethenylsulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
6,10-dihydroxy-11-methyltetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
(3r)-7-hydroxy-5-methoxy-3-(5-methyl-2-oxo-5h-furan-3-yl)-3h-2-benzofuran-1-one
(9ar,9br)-8-chloro-3,6,9-trimethyl-9ah,9bh-azuleno[4,5-b]furan-2,7-dione
8,12-dihydroxy-10-(hydroxymethyl)-6-methoxy-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one
(2r,3s,4r,5s)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid
3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one
3,4-dihydroxy-5-(3-hydroxy-5-methylphenoxy)benzoic acid
10-amino-11-methoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
6-[(2-acetyl-3,5-dihydroxyphenyl)methyl]-4-hydroxypyran-2-one
(5r)-5,12-dihydroxy-6-methoxy-10-methyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),6,9,11-tetraene-2,8-dione
6,10-dihydroxy-12-methyltetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
4-methoxy-6-(4-methoxy-2h-1,3-benzodioxol-5-yl)pyran-2-one
1,7,9-trihydroxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(2e)-3-[(2r)-butan-2-yldisulfanyl]prop-2-en-1-yl (2e)-2-(hydroxymethyl)but-2-enoate
C12H20O3S2 (276.08538100000004)
10-hydroxy-3,5,9,19-tetraazapentacyclo[10.7.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]nonadeca-1(12),2(6),4,7(11),9,13(18),14,16-octaen-8-one
C15H8N4O2 (276.06472279999997)
ethyl 1,3,9-trihydroxy-8-oxobenzo[7]annulene-6-carboxylate
3-[(2r)-butan-2-yldisulfanyl]prop-2-en-1-yl 2-(hydroxymethyl)but-2-enoate
C12H20O3S2 (276.08538100000004)
6-(2h-1,3-benzodioxol-5-yl)-4,5-dimethoxypyran-2-one
(1s,5's)-4,5'-dihydroxy-6-methoxy-2'-methylspiro[2-benzofuran-1,1'-cyclopentan]-2'-ene-3,4'-dione
8-chloro-3,6,9-trimethyl-9ah,9bh-azuleno[4,5-b]furan-2,7-dione
4-(3,4-dihydroxybenzoyl)-5-methoxybenzene-1,3-diol
[(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoyl]oxyphosphonic acid
(9ar,9bs)-8-chloro-3,6,9-trimethyl-9ah,9bh-azuleno[4,5-b]furan-2,7-dione
{6,8-dihydroxy-1-oxo-2h,3h-cyclopenta[b]chromen-3a-yl}acetic acid
(2s)-3-hydroxy-2-[(3-hydroxyquinolin-2-yl)formamido]propanoic acid
4-[2-(3,4-dihydroxyphenyl)ethyl]-6-oxopyran-2-carboxylic acid
3,5-dihydroxy-2-[(2s,3s)-3-methyl-5-oxooxolan-2-yl]chromen-4-one
16-amino-15-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
12-chloro-11-methoxy-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-5-ol
6,10-dihydroxy-4-methyltetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
8-hydroxy-2,4,9,19-tetraazapentacyclo[10.7.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]nonadeca-1(12),3,5,7(11),8,13(18),14,16-octaen-10-one
C15H8N4O2 (276.06472279999997)