Exact Mass: 276.0623
Exact Mass Matches: 276.0623
Found 500 metabolites which its exact mass value is equals to given mass value 276.0623,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flutamide
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
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.
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.
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
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
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
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)
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
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]-
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
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
potassium,trifluoro-[4-(4-hydroxyphenyl)phenyl]boranuide
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-
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
2-[(4-bromoimidazol-1-yl)methoxy]ethyl-trimethylsilane
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
1,1-[(E)-1,2-Difluoro-1,2-ethenediyl]bis(4-methoxybenzene)
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
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
ETHYLENEDIAMINE-N,N-DIPROPIONIC ACID DIHYDROCHLORIDE
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
2,4-Difluorophenyl-(4-piperidinyl) methanone oxime hydrochloride
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)-
ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
ETHYL 7-METHOXYIMIDAZO[2,1-B]BENZOTHIAZOLE-2-CARBOXYLATE
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
4-METHYL-5-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-1,3-THIAZOL-2-AMINE
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
2,3-Bis(acetylamino)-2,3-dideoxy-alpha-D-mannopyranuronic 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
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
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
3-(2-chloro-6-fluorophenyl)-N-4-pyridinylacrylamide
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
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.
2-[4-(3,4-Dihydroxyphenyl)-3-fluorophenyl]propanoic acid
gamma-Glu-Glu
A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of another glutamic acid.
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
2-(2-hydroxy-3-methoxy-5-methylphenoxy)-5-methylbenzene-1,3-diol
7-hydroxy-5-methoxy-3-(5-methyl-2-oxo-5h-furan-3-yl)-3h-2-benzofuran-1-one
7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one
(2s,3r)-5-acetyl-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl acetate
7-[(3,3-dimethyloxiran-2-yl)methoxy]-8-methoxychromen-2-one
(1r,2r,6s,8r,10r)-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
(1s,4s,5r)-4-[(3e)-4-methyl-5-(4-methylfuran-2-yl)-5-oxopent-3-en-1-yl]-2,6-dioxabicyclo[3.1.0]hexan-3-one
methyl 4a,7-dimethyl-4,6-dioxo-5h,7h,8h-indeno[5,6-b]furan-7a-carboxylate
(6s,7r)-6,10-dihydroxy-7-methoxy-3-methyl-1h,6h,7h,8h-cyclohexa[g]isochromen-9-one
6-[(r)-[(2s)-3,3-dimethyloxiran-2-yl](hydroxy)methyl]-7-methoxychromen-2-one
(1s,2r,4r,7r,9s)-4-(furan-3-yl)-1-methyl-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecane-6,11-dione
(2r)-5-hydroxy-2-methyl-2-[(2r,3s)-3-methyl-5-oxooxolan-2-yl]-3h-1-benzopyran-4-one
(3r)-3,6-dihydroxy-8,8-dimethyl-1-oxo-3h,4h,7h,9h-indeno[4,5-c]pyran-5-carbaldehyde
(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
(1r,2s)-2-hydroxy-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
(2r,3r,4s,5s,6r)-2-[(5-hydroxyfuran-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s)-2-{[(2s)-2-amino-4-carboxy-1-hydroxybutylidene]amino}pentanedioic acid
(1s,4s)-4-[(5r)-8-methyl-4,7-dioxo-1,6-dioxaspiro[4.4]nona-2,8-dien-3-yl]cyclohexane-1-carbaldehyde
2-[(2s)-6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
6-hydroxy-5-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
(1s,2s,4as,9ar,10s)-1,2,8,10-tetrahydroxy-6-methyl-2,4a,9a,10-tetrahydro-1h-anthracen-9-one
methyl (2z)-3-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)prop-2-enoate
6-hydroxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2,11-diene-4,13-dione
6-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxychromen-2-one
8-hydroxy-2-(hydroxymethyl)-9-methoxy-5h-pyrano[3,2-c]chromen-4-one
11β,13-dihydrolactucin
{"Ingredient_id": "HBIN000357","Ingredient_name": "11\u03b2,13-dihydrolactucin","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40764","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-1,2-secomicrominutinin methyl ester
{"Ingredient_id": "HBIN007347","Ingredient_name": "3,4-dihydro-1,2-secomicrominutinin methyl ester","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "COC(=O)CCC1=C(C2=C(C=C1)OC3C2C(=C)CO3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5710","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-(r)-(+)-hamaudol
{"Ingredient_id": "HBIN009582","Ingredient_name": "3'-(r)-(+)-hamaudol","Alias": "3'(r)-(+)-hamaudol","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31056;9203","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'(s)-(?)-hamaudol
{"Ingredient_id": "HBIN009719","Ingredient_name": "3'(s)-(?)-hamaudol","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15701","TCMID_id": "9204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methyoxymarmesin
{"Ingredient_id": "HBIN011826","Ingredient_name": "5-methyoxymarmesin","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14811","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN013321","Ingredient_name": "7-methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "NA","Ingredient_weight": "276.28","OB_score": "NA","CAS_id": "98619-28-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7438","PubChem_id": "NA","DrugBank_id": "NA"}
