Exact Mass: 276.0957466
Exact Mass Matches: 276.0957466
Found 500 metabolites which its exact mass value is equals to given mass value 276.0957466,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihydromethysticin
Dihydromethysticin is found in beverages. Dihydromethysticin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Dihydromethysticin is one of the six major kavalactones found in the kava plant Dihydromethysticin is a member of 2-pyranones and an aromatic ether. Dihydromethysticin is a natural product found in Piper methysticum, Piper majusculum, and Aniba hostmanniana with data available. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
Hamaudol
Hamaudol is a member of chromenes. Hamaudol is a natural product found in Saposhnikovia divaricata, Angelica japonica, and other organisms with data available. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2]. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2].
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
Lactucin
Lactucin is found in chicory. Lactucin is a constituent of Cichorium intybus (chicory) Lactucin is a bitter substance that forms a white crystalline solid and belongs to the group of sesquiterpene lactones. It is found in some varieties of lettuce and is an ingredient of lactucarium. It has been shown to have analgesic and sedative properties Constituent of Cichorium intybus (chicory)
5-Amino-6-ribitylamino uracil
C9H16N4O6 (276.10697960000005)
5-Amino-6-ribitylamino uracil is an intermediate in riboflavin metabolism. It is converted from 5-amino-6-(5-phosphoribitylamino)uracil via dephosphorylation by the enzyme phosphohistidine phosphatase 1 (EC 3.1.3.-). It is considered to be the second product of the riboflavin synthase reaction (PMID: 14245407). Humans do not have all the enzymes needed to synthesize or metabolize riboflavin. However, gut microflora do have the necessary enzymatic machinery to produce and metabolize this vitamin. Riboflavin (or vitamin B2) is an easily absorbed micronutrient with a key role in maintaining health in humans and animals. It is the central component of the cofactors FAD and FMN, and is therefore required by all flavoproteins. Riboflavin is yellow or yellow-orange in colour and in addition to being used as a food colouring it is also used to fortify some foods including baby foods, breakfast cereals, pastas, sauces, processed cheese, fruit drinks, vitamin-enriched milk products, some energy drinks, and vitamin supplements. 5-amino-6-(d-ribitylamino)uracil, also known as 5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione or 5-arpd, is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 5-amino-6-(d-ribitylamino)uracil is soluble (in water) and a very weakly acidic compound (based on its pKa). 5-amino-6-(d-ribitylamino)uracil can be found in a number of food items such as radish (variety), chinese cabbage, common beet, and spinach, which makes 5-amino-6-(d-ribitylamino)uracil a potential biomarker for the consumption of these food products. 5-amino-6-(d-ribitylamino)uracil exists in E.coli (prokaryote) and yeast (eukaryote).
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
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.
Pentalenolactone
A sesquiterpene lactone that is isolated from several Streptomyces species and exhibits antibiotic activity.
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
Triethyl citrate
Triethyl citrate is used in foods as a flavouring agent, solvent and surface-active agent Triethyl citrate is an ester of citric acid. It is a colorless, odorless liquid used as a food additive (E number E1505) to stabilize foams, especially as whipping aid for egg white. In pharmaceutical coatings and plastics It is used in foods as a flavouring agent, solvent and surface-active agent
10-Acetoxytoxol
10-Acetoxytoxol is found in herbs and spices. 10-Acetoxytoxol is a constituent of Helichrysum italicum (curry plant)
Ascochitine
Causes brown rot in broad bean
6-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxy-2H-chromen-2-one
3-(7-methoxy-2-oxo-2H-chromen-8-yl)-2,2-dimethylpropanoic acid
5-De-O-methyltoddanol
5-De-O-methyltoddanol is found in citrus. 5-De-O-methyltoddanol is a constituent of the stem bark of Citrus grandis (pummelo). Constituent of the stem bark of Citrus grandis (pummelo). 5-De-O-methyltoddanol is found in citrus.
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.
N-lactoyl-Tryptophan
N-lactoyl-Tryptophan is lactoyl derivative of tryptophan. N-lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid. (PMID: 25964343)
5-Benzylacyclouridine
D004791 - Enzyme Inhibitors
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline
C15H17FN2S (276.10964140000004)
Creatine glutamate
C9H16N4O6 (276.10697960000005)
Etintidine
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
2-(7'-methylthio)heptylmalate
C12H20O5S (276.10313900000006)
2-(7-methylthio)heptylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(7-methylthio)heptylmalate can be found in a number of food items such as lima bean, redcurrant, butternut, and green zucchini, which makes 2-(7-methylthio)heptylmalate a potential biomarker for the consumption of these food products.
3-(7'-methylthio)heptylmalate
C12H20O5S (276.10313900000006)
3-(7-methylthio)heptylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-(7-methylthio)heptylmalate can be found in a number of food items such as teff, babassu palm, corn, and cauliflower, which makes 3-(7-methylthio)heptylmalate a potential biomarker for the consumption of these food products.
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).
7-(3,3-Dimethylallyloxy)-6-hydroxy-5-methoxycoumarin
6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
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).
URSINOIC ACID
Origin: Plant; SubCategory_DNP: Triterpenoids
6-(2,3-epoxy-1-hydroxy-3methylbut)-7-methoxycoumarin|6-[(3,3-dimethyl-oxiranyl)-hydroxy-methyl]-7-methoxy-chromen-2-one|Lophopterol
8-(1,2-epoxy-3-hydroxy-3-methylbutyl)-7-methoxycoumarin
8-hydroxy-3,7-dimethoxy-1,2,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5-one|Methyl-Neotramizin A|Methyl-Neotramizin B
8beta-hydroxyeremophil-3,7(11)-diene-8alpha,12(6alpha,15)-diolide
3beta-acetoxy-6-acetyl-2alpha-isopropenyl-5-hydroxy-2,3H-benzofuran
(R)-(+)-7-methoxy-8-(2,3-epoxy-3-methylbutoxy)-coumarin
6,8-dihydroxy-7-acetyl-1-keto-3-methoxy-4,4-dimethyl-1,4-dihydronaphthalene
2-(4-Hydroxyphenethyl)-4-hydroxy-6-oxo-1-cyclohexene-1-carboxylic acid
2-(1-Hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
4,7-Benzofurandione, 3-(hydroxymethyl)-6-methoxy-5-(3-methyl-2-butenyl)-
(+)-(S)-8,9-dihydro-9-phenyl-7H-phenalene-1,2-diol|monolaterol
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
1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-propan|1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane
8-(2,3-epoxy-1-hydroxy-3-methylbutyl)-7-methoxycoumarin
7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone
(6??,8??OH)-6,8-Dihydroxy-3-oxo-1,7(11),9-eremophilatrien-12,8-olide
(R)-4-(1-hydroxy-3-methylbutyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one|antidesnol
4-Methoxy-5-methyl-6-(3-methyl-2-butenyloxy)isobenzofuran-1,3-dione
(S,S)-gamma-glutamyl-(cis-S-1-propenyl)thioglycine|gamma-glutamyl-cis-S-1-propenyl-L-cysteine
(9betaH)-1alpha,4alpha-dihydroxy-10-oxo-1,10-seco-1(10->9)abeoguaia-2,5,7(11)-trien-12,8beta-olide|millifolide C
(2S,3S,4R,5R)-2,5-epoxy-3,4-dimethyl-8,9-methylenedioxy-10-methoxy-6,11-benzocycloheptan-1-one|gymnothedelignan A
(2?R,4aR,8aS,9aS)-9a-hydroxy-3,8a-dimethyl-4,4a,9,9a-tetrahydro-2H-spiro[naphtho[2,3-b]furan-5,2?-oxirane]-2,6(8aH)-dione|linderolide J
smiglabrol|threo-5-[1-hydroxy-2-(4-hydroxyphenyl)-2-methoxyethyl] benzene-1,3-diol
(5S,6S)-(+)-5-hydroxy-4,6-dimethoxy-6-trans-styryl-5,6-dihydro-2H-pyran-2-on
5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-2-methyl-4H-1-benzopyran-4-one
8-(2-hydroxy-3-methylbut-3-enyloxy)-7-methoxycoumarin
6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-1,4-Di-Ac
5-methoxy-7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-5-methoxy-coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-but-3-enyl)-5-methoxy-chromen-2-one
(()-Nieshoutol|6-hydroxy-5-methoxy-8,9,9-trimethyl-8,9-dihydro-furo[2,3-h]chromen-2-one|Nieshoutol
1H-Dibenzo(de,g)quinolin-1-one, 7-amino-2-methoxy-
Dendrocandin E
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3, 4 and 4 and a methoxy group at position 5. It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.
3-carboxy-10-(methylsulfanyl)-2-oxodecanoate
C12H20O5S (276.10313900000006)
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].
Murrangatin
(-)-Minumicrolin is a natural product found in Murraya paniculata with data available.
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
Capensine
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.050 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.051
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
(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Triethylcitrate
CONFIDENCE standard compound; INTERNAL_ID 2857 CONFIDENCE standard compound; INTERNAL_ID 8781
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxopropanoic acid
Lactucin
An azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory.
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one [IIN-based: Match]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000848547]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based: Match]
Gly Gly Gly Ser
C9H16N4O6 (276.10697960000005)
Gly Gly Ser Gly
C9H16N4O6 (276.10697960000005)
Gly Ser Gly Gly
C9H16N4O6 (276.10697960000005)
Ser Gly Gly Gly
C9H16N4O6 (276.10697960000005)
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.
5-De-O-methyltoddanol
Thymidine glycol
(1R,5S)-5-(Dimethylphenylsilyl)-2-(hydroxymethyl)-2-cyclopentene-1-carboxylic acid
C15H20O3Si (276.11816500000003)
Taglutimide
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Oxagrelate
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
dimethyl 1-allyl-5,5-difluorocyclohexane-1,3-dicarboxylate
1-(tert-Butoxycarbonyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
2-(4-(PIPERAZIN-1-YL)PHENYL)PYRIMIDINE HYDROCHLORIDE
4-CHLORO-7-ISOPROPOXY-6-METHOXYQUINOLINE-3-CARBONITRILE
[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid
ethyl 4-hydroxy-5,8-dimethoxynaphthalene-2-carboxylate
1-TERT-BUTYL 5-METHYL 1H-INDAZOLE-1,5-DICARBOXYLATE
[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
Benzoic acid,4-chloro-, 1-(4-methoxyphenyl)hydrazide
1-Benzyl-3-methylpiperidin-4-ylamine dihydrochloride
N-(4-methoxyphenyl)benzene-1,4-diamine; sulfuric acid
1,2:3,4-Di-O-isopropylidene-6-thio-a-D-galactopyranose
C12H20O5S (276.10313900000006)
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
5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
ETHYL5-AMINO-1-(2-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
Ethyl 2-[4-(dimethylamino)phenyl]-1,3-thiazole-4-carboxylate
4-(METHYLAMINO)-1-BENZYLPIPERIDINE DIHYDROCHLORIDE
ETHYL 4-(2-HYDROXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
1-Butyl-3-methylimidazolium Trifluoro(trifluoromethyl)borate
ETHYL5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide
Ethyl 4-hydroxy-2-oxo-1-propyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate
3,5-di(pyridin-2-yl)phenylboronic acid
C16H13BN2O2 (276.10700280000003)
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylic acid
(R)-1-Benzyl-3-dimethylaminopyrrolidine Dihydrochloride
6-(3-(6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-4-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE
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
methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate
2-acetamido-3-(6-Methoxy-1H-indol-3-yl)propanoic acid
1,1-[(E)-1,2-Difluoro-1,2-ethenediyl]bis(4-methoxybenzene)
Ethyl 2-(4-chlorophenyl)-4-methyl-5-pyrimidinecarboxylate
4-(1-PIPERIDINYLMETHYL)-BENZENEMETHANAMINEDIHYDROCHLORIDE
(3R)-1-benzyl-N,N-dimethylpyrrolidin-3-amine,dihydrochloride
4-HYDROXY-6-METHYL-QUINOLINE-3-CARBOXYLICACIDETHYLESTER
TERT-BUTYL (2-CHLORO-5-FLUORO-6-METHOXYPYRIDIN-3-YL)CARBAMATE
Tert-butyl 2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)acetate
methyl (E)-3-(furan-2-yl)-2-[(2-hydroxy-6-oxocyclohexen-1-yl)methyl]prop-2-enoate
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
2-SULFO-1,4-BENZENEDICARBOXYLIC ACID 1,4-DIMETHYL ESTER, SODIUM SALT
TERT-BUTYL ((2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)METHYL)CARBAMATE
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
Benzenesulfonic acid,4-methyl-, 2-phenylethyl ester
Y-26763
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
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
N-(4-TERT-BUTYL-PHENYL)-6-CHLORO-PYRIMIDINE-2,4-DIAMINE
Tris(isopropenyloxy)(phenyl)silane
C15H20O3Si (276.11816500000003)
TERT-BUTYL ((6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHYL)CARBAMATE
4-(4-CHLOROBENZYL)-3-METHYL-5-((R)-PYRROLIDIN-2-YL)-4H-1,2,4-TRIAZOLE
ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
((3aR,4S,5R,6aS)-5-hydroxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl benzoate
3-(Aminomethyl)-4-chloro-N-isobutylbenzamide hydrochloride
(3S,5R)-tert-Butyl4-(chlorocarbonyl)-3,5-dimethylpiperazine-1-carboxylate
METHYL 4-HYDROXY-1-(4-METHOXYPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE
4-(2-Fluoro-4-nitrophenoxy)piperidine hydrochloride
Pyrido[2,1-f]purine-2,4,6(1H,3H,7H)-trione,8,9-dihydro-1,3,8,8-tetramethyl-
C13H16N4O3 (276.12223459999996)
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)-
1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE
etintidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]MORPHOLINE
C11H11F3N2O3 (276.07217319999995)
1,3-diisocyanato-2-methyl-benzene, 2-methyloxirane, oxirane
5-(3-(1-Methylcyclopropyl)propyl)-1H-pyrano(2,3-d)pyrimidine-2,4,7(3H)-trione
Oxifungin hydrochloride
C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
(S)-2-((S)-2-Hydroxypropanamido)-3-(1H-indol-3-yl)propanoic acid
(5-hydroxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
2-[(3-Ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester
3-Phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-2,5-dione
3-(2-Hydroxy-4-methoxy-6-methylphenoxy)-5-methylcatechol
N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
2H-1-Benzopyran-2-one, 7-[(3,3-dimethyloxiranyl)methoxy]-6-methoxy-
Dimethyl 7-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulene-6,8-dicarboxylate
Butanedioic acid, methyl-, bis(trimethylsilyl) ester
(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
2,4-Dihydroxy-N-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide
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).
2-(7-Methylsulfanylheptyl)-3-oxobutanedioic acid
C12H20O5S (276.10313900000006)
2,3-Dihydroxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
4-methyl-4-sulfanylpentan-2-one-[CysGly] conjugate
2,3-Bis(acetylamino)-2,3-dideoxy-alpha-D-mannopyranuronic acid
(1S,4aR,9aS)-7,8-dimethyl-3-oxospiro[4,4a,6a,7-tetrahydropentaleno[6a,1-c]pyran-1,2-oxirane]-5-carboxylic acid
2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid
1-[(3R,4R,5R)-3-Fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
4-Amino-5-[2-[carbamimidoyl(methyl)amino]acetyl]peroxy-5-oxopentanoic acid
C9H16N4O6 (276.10697960000005)
(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid
A diester resulting from the formal sequential esterification of the hydroxy group of one molecule of (3R)-3-hydroxybutyric acid with the carboxy group of a second, followed by the esterification of the hydroxy group of the product with the carboxy group of a third molecule of (3R)-3-hydroxybutyric acid. Isolated from the Japanese inedible mushroom Hypoxylon truncatum and also the sponge-derived actinomycete Micromonospora sp. RV43.
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
5-methyl-3-(2-morpholino-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
1-(1,3-Benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester
5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol
C13H16N4O3 (276.12223459999996)
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxyacetamide
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
N-(3-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
(1-Methylsulfonyl-4-piperidinyl)-(4-morpholinyl)methanone
2-[2-Hydroxy-3-(3-hydroxyphenyl)propyl]benzene-1,3,5-triol
6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoic acid
(5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoic acid
3,4,5-Trihydroxy-6-(3-methylbut-2-enoyloxy)oxane-2-carboxylic acid
8-[(3,3-Dimethyloxiran-2-yl)methyl]-6-hydroxy-7-methoxychromen-2-one
3,4,5-trihydroxy-6-[(E)-2-methylbut-2-enoyl]oxyoxane-2-carboxylic acid
8-[[3-(Hydroxymethyl)-3-methyloxiran-2-yl]methyl]-7-methoxychromen-2-one
[4-(3-Hydroxybutyl)-2-methoxyphenyl] hydrogen sulate
4-(4-Hydroxy-3-methoxyphenyl)butan-2-yl hydrogen sulate
6-[(E)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
Ethyl 1,2,7-trimethyl-4-nitro-1H-indole-3-carboxylate
Dihydromethysticin
Dihydromethysticin is a member of 2-pyranones and an aromatic ether. Dihydromethysticin is a natural product found in Piper methysticum, Piper majusculum, and Aniba hostmanniana with data available. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
5-Amino-6-(D-ribitylamino)uracil
C9H16N4O6 (276.10697960000005)
An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis.
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline
C15H17FN2S (276.10964140000004)
2-[4-(3,4-Dihydroxyphenyl)-3-fluorophenyl]propanoic acid
3-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-oxopropanoic acid
carboxylato-PTIO
A benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group.
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.