Exact Mass: 270.1188338
Exact Mass Matches: 270.1188338
Found 500 metabolites which its exact mass value is equals to given mass value 270.1188338,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isoimperatorin
Isoimperatorin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Isoimperatorin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isoimperatorin can be found in a number of food items such as parsley, lime, wild celery, and parsnip, which makes isoimperatorin a potential biomarker for the consumption of these food products. Isoimperatorin is a non-carcinogenic (not listed by IARC) potentially toxic compound. If the compound has been ingested, rapid gastric lavage should be performed using 5\\\\% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of -oximes has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB). D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
Imperatorin
Imperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a metabolite. Imperatorin is a natural product found in Allium wallichii, Ammi visnaga, and other organisms with data available. Imperatorin is found in anise. Imperatorin is present in Aegle marmelos (bael fruit) and seeds of Pastinaca sativa (parsnip).Imperatorin is a furocoumarin and a phytochemical that has been isolated from Urena lobata L. (Malvaceae). It is biosynthesized from umbelliferone, a coumarin derivative.Imperatorin has been shown to exhibit anti-hypertrophic and anti-convulsant functions (A7784, A7785).Imperatorin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. See also: Angelica Dahurica Root (part of); Aegle marmelos fruit (part of); Ammi majus seed (part of) ... View More ... Imperatorin is found in anise. Imperatorin is present in Aegle marmelos (bael fruit) and seeds of Pastinaca sativa (parsnip).Imperatorin is a furocoumarin and a phytochemical that has been isolated from Urena lobata L. (Malvaceae). It is biosynthesized from umbelliferone, a coumarin derivative A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Present in Aegle marmelos (bael fruit) and seeds of Pastinaca sativa (parsnip) INTERNAL_ID 2244; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2244 Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM. Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM.
Alloimperatorin
Alloimperatorin is a member of the class of compounds known as 8-hydroxypsoralens. 8-hydroxypsoralens are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group. Alloimperatorin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Alloimperatorin can be found in corn, which makes alloimperatorin a potential biomarker for the consumption of this food product. Alloimperatorin is a member of psoralens. Alloimperatorin is a natural product found in Campylotropis hirtella, Saposhnikovia divaricata, and other organisms with data available. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2]. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2].
Medicarpin
A member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9. (+)-medicarpin is the (+)-enantiomer of medicarpin. It is an enantiomer of a (-)-medicarpin. (+)-Medicarpin is a natural product found in Dalbergia sissoo, Machaerium acutifolium, and other organisms with data available. The (+)-enantiomer of medicarpin. (-)-medicarpin is the (-)-enantiomer of medicarpin. It has a role as a plant metabolite. It is an enantiomer of a (+)-medicarpin. Medicarpin is a natural product found in Cicer chorassanicum, Melilotus dentatus, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of); Medicago sativa whole (part of). The (-)-enantiomer of medicarpin. Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1]. Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1].
Tolbutamide
Tolbutamide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It is structurally similar to acetohexamide, chlorpropamide and tolazamide and belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating 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 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. Tolbutamide appears to be metabolized in the liver. Tolbutamide and its metabolites are excreted in urine (75-85\\%) and feces. CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4159; ORIGINAL_PRECURSOR_SCAN_NO 4157 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8370; ORIGINAL_PRECURSOR_SCAN_NO 8367 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8423; ORIGINAL_PRECURSOR_SCAN_NO 8420 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8415; ORIGINAL_PRECURSOR_SCAN_NO 8413 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4159; ORIGINAL_PRECURSOR_SCAN_NO 4156 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4203; ORIGINAL_PRECURSOR_SCAN_NO 4202 ORIGINAL_ACQUISITION_NO 8354; CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8415; ORIGINAL_PRECURSOR_SCAN_NO 8412 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4133; ORIGINAL_PRECURSOR_SCAN_NO 4130 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8326; ORIGINAL_PRECURSOR_SCAN_NO 8324 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8354; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4157 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 V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CA - Tests for diabetes D007004 - Hypoglycemic Agents
10,11-Dihydroxycarbamazepine
C15H14N2O3 (270.10043740000003)
10,11-Dihydroxycarbamazepine, also called carbamazepine diol, is a metabolite of both carbamazepine and oxcarbazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. Oxcarbazepine is an anticonvulsant and mood-stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. (Wikipedia) CONFIDENCE standard compound; INTERNAL_ID 8581 CONFIDENCE standard compound; INTERNAL_ID 2668 CONFIDENCE standard compound; INTERNAL_ID 4109
Chloroprocaine
C13H19ClN2O2 (270.11349839999997)
Chloroprocaine hydrochloride is a local anesthetic given by injection during surgical procedures and labor and delivery. Chloroprocaine, like other local anesthetics, blocks the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse and by reducing the rate of rise of the action potential. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2'-O-Methylisoliquiritigenin
2-O-Methylisoliquiritigenin (CAS: 51828-10-5), also known as 4,4-dihydroxy-2-methoxychalcone or 3-deoxysappanchalcone, belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Thus, 2-O-methylisoliquiritigenin is considered to be a flavonoid lipid molecule. 2-O-Methylisoliquiritigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-O-Methylisoliquiritigenin is a stress metabolite of Pisum sativum (pea). Stress metabolite of Pisum sativum (pea). 2-Methylisoliquiritigenin is found in pulses and common pea. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1].
Pinostrobin
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5 and a methoxy group at position 7 respectively. Pinostrobin is a natural product found in Uvaria chamae, Zuccagnia punctata, and other organisms with data available.
Hypoglycin B
Hypoglycin B is found in fruits. Hypoglycin B is a biologically active component of Blighia sapida (akee apple) Hypoglycin B is a naturally occurring organic compound in the species Blighia sapida. It is particularly concentrated in the fruit of the plant especially in the seeds. Hypoglycin B is toxic if ingested and is a causative agent of Jamaican Vomiting Sickness. It is an amino acid and chemically related to lysine Biologically active component of Blighia sapida (akee apple)
Vignafuran
Constituent of Lablab niger (hyacinth bean). Vignafuran is found in hyacinth bean, pulses, and cowpea. Vignafuran is found in cowpea. Vignafuran is a constituent of Lablab niger (hyacinth bean).
Strobopinin
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 6 respectively.
Tetaine
A non-ribosomally synthesised dipeptide that consists of L-alanyl and anticapsin units linked by a peptide bond.
Cnidin
Isoimperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. Isoimperatorin is a natural product found in Ferulago sylvatica, Prangos trifida, and other organisms with data available. Isoimperatorin is a tumor necrosis factor antagonist isolated from Glehniae root or from Poncirus trifoliate Raf (L579). Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. See also: Angelica archangelica root (part of). A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
Pinostrobin chalcone
Pinostrobin chalcone is a member of chalcones. Pinostrobin chalcone is a natural product found in Onychium siliculosum, Populus koreana, and other organisms with data available. Pinostrobin chalcone is found in pulses. Pinostrobin chalcone is isolated from Cajanus cajan (pigeon pea). Isolated from Cajanus cajan (pigeon pea). Pinostrobin chalcone is found in pulses. Pinostrobin chalcone is found to be potent natural cytotoxic compounds against MDA-MB-231 and HT-29 colon cancer cell lines(IC50 = 20.42±2.23 and 22.51±0.42 μg/mL)[1]. Pinostrobin chalcone is found to be potent natural cytotoxic compounds against MDA-MB-231 and HT-29 colon cancer cell lines(IC50 = 20.42±2.23 and 22.51±0.42 μg/mL)[1].
4-tert-Butylphenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Migration residue from food packaging. Migration residue from food packaging
4-O-Methylpinosylvic acid
4-o-methylpinosylvic acid is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4-o-methylpinosylvic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 4-o-methylpinosylvic acid can be found in pulses, which makes 4-o-methylpinosylvic acid a potential biomarker for the consumption of this food product. 4-O-Methylpinosylvic acid is found in pulses. 4-O-Methylpinosylvic acid is a constituent of the leaves of Cajanus cajan (pigeon pea).
1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
Dihydroformononetin
Dihydroformononetin is a constituent of Myroxylon balsamum (Tolu balsam) trunkwood. Constituent of Myroxylon balsamum (Tolu balsam) trunkwood.
Isomedicarpin
Isomedicarpin is found in pulses. Isomedicarpin is a constituent of Psophocarpus tetragonolobus (winged bean). Constituent of Psophocarpus tetragonolobus (winged bean). Isomedicarpin is found in winged bean and pulses.
3,5-Dimethoxy-2,7-phenanthrenediol
3,5-Dimethoxy-2,7-phenanthrenediol is found in root vegetables. 3,5-Dimethoxy-2,7-phenanthrenediol is found in Dioscorea batatas (Chinese yam) inoculated with Pseudomonas cichori
Aspartyl-Histidine
Aspartyl-Histidine is a dipeptide composed of aspartate and histidine. It 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylaspartic acid
Histidylaspartic acid is a dipeptide composed of histidine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
N-Desmethylpromazine
N-Desmethylpromazine is only found in individuals that have used or taken Promazine. N-Desmethylpromazine is a metabolite of Promazine. N-desmethylpromazine belongs to the family of Phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
D-erythro-L-galacto-Nonulose
D-erythro-L-gluco-Nonulose is found in avocado. D-erythro-L-gluco-Nonulose is isolated from avocado.
Fenethazine
Fenethazine (phenethazinum) is a first-generation phenothiazine H1-antihistamine.
(2R)-5-Hydroxy-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
Pinostrobin, also known as 5-hydroxy-7-methoxyflavanone, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, pinostrobin is considered to be a flavonoid lipid molecule. Pinostrobin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pinostrobin can be found in a number of food items such as roman camomile, soursop, rocket salad, and angelica, which makes pinostrobin a potential biomarker for the consumption of these food products.
(2S,3R,4R,5S,6S)-2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
Ciproxifan
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
[(1S,2S)-2-[[2,2-Dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate
1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
Medicarpin
Medicarpin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Medicarpin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Medicarpin can be found in black-eyed pea, broad bean, and chickpea, which makes medicarpin a potential biomarker for the consumption of these food products. Medicarpin is a pterocarpan, a derivative of isoflavonoids . Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1]. Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1].
Morinidazole
C254 - Anti-Infective Agent > C258 - Antibiotic
1-Piperidineethanol, alpha-((2-nitro-1H-imidazol-1-yl)methyl)-, 1-oxide
1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents
voxtalisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively. Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively.
Echinatin
Echinatin is a natural product found in Dracaena draco, Euphorbia helioscopia, and other organisms with data available. Echinatin is a chalcone isolated from the Chinese herbal medicine Gancao with hepatoprotective and anti-inflammatory effects[1]. Echinatin can be quickly absorbed and eliminated and extensively distributed with an absolute bioavailability of approximately 6.81\\% in Rat[2]. Echinatin is a chalcone isolated from the Chinese herbal medicine Gancao with hepatoprotective and anti-inflammatory effects[1]. Echinatin can be quickly absorbed and eliminated and extensively distributed with an absolute bioavailability of approximately 6.81\% in Rat[2].
Alpinetin
Alpinetin is a phytochemical isolated from a variety of plants including those of the genus Alpinia.[1] It is going through tests to see if it is a vasorelaxant.[2] Alpinetin is a natural product found in Alpinia blepharocalyx, Alnus firma, and other organisms with data available. Alpinetin is a flavonoid isolated from cardamom and has anti-inflammatory activity. Alpinetin inhibits lipopolysaccharide (LPS)-induced inflammation, activates PPAR-γ, activates Nrf2, and inhibits TLR4 expression to protect LPS-induced renal injury[1][2]. Alpinetin is a flavonoid isolated from Alpinia katsumadai Hayata, activates activates PPAR-γ, with potent anti-inflammatory activity[1]. Alpinetin is a flavonoid isolated from Alpinia katsumadai Hayata, activates activates PPAR-γ, with potent anti-inflammatory activity[1].
Cardamomin
Cardamonin is a member of chalcones. Cardamonin (also known as Dihydroxymethoxychalcone), as shown by the increasing number of publications, has received growing attention from the scientific community due to the expectations toward its benefits to human health. Cardamonins name comes from the fact that it can be found in cardamom spice. Cardamonin is a natural product found in Amomum subulatum, Alpinia blepharocalyx, and other organisms with data available. (E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. (E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. Cardamonin can be found from cardamom, and target various signaling molecules, transcriptional factors, cytokines and enzymes. Cardamonin can inhibit mTOR, NF-κB, Akt, STAT3, Wnt/β-catenin and COX-2. Cardamonin shows anticancer, anti-inflammatory, antimicrobial and antidiabetic activities[1][2].
Benzyl beta-D-glucopyranoside
A beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a benzyloxy group.
Resveratrol trimethyl ether
Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1] Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1]
Nudol
2,7-Phenanthrenediol, 3,4-dimethoxy- is a natural product found in Pinalia spicata, Bulbophyllum vaginatum, and other organisms with data available.
3-Methoxy-6-methyl-7-hydroxy-9,10-dihydrophenanthrene-1,4-dione
7-Methoxy-beta-Carboline 1-propionic acid
C15H14N2O3 (270.10043740000003)
4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
medazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3022
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
C15H14N2O3 (270.10043740000003)
3,4-Dihydro-5-methoxy-6-methyl-2-phenyl-2H-1-benzopyran-7-ol
2,3,7-trimethoxy-phenazine|2,3,7-Trimethoxyphenazin
C15H14N2O3 (270.10043740000003)
(2S)-4,7-dihydroxy-6,8-dimethylflavane|(2S)-7,4-dihydroxy-6,8-dimethylflavane
3,5-Dimethyl-4-(methoxymethyl)-9-methoxynaphtho[2,3-b]furan
(Z,Z)-8xi-acetoxy-5xi-hydroxydodeca-2,6-dienoic acid
4bbeta,7-Dihydroxy-1-methyl-8-methylene-1,3,4a(10a)-gibbatrien-10-one
(3R,4S)-3-(2-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-4-ol|conferol B
2-(3,4-dihydroxy-1-butylenyl)-5-(2,3,4-trihydroxybutyl)-pyrazine|tatarinine A
NG-061
C15H14N2O3 (270.10043740000003)
A quinone imine that is 1,4-benzoquinone imine substituted by a methoxy group at position 3 and a (phenylacetyl)nitrilo group attached to the nitrogen atom. Isolated from the fermentation broth of Penicillium minioluteum, it exhibits neurotrophic effect of NGF.
Di-Me ester-(E,E)-8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid
2-Methoxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol
(Z)-8-acetoxy-1,2-epoxy-9,14-pentadecadiene-4,6-diyne
2(S)-3-hydroxy-1-(4-hydroxyphenyl)-5-phenyl-1-pentanone
(11S)-chloronootkaton-11-ol|(4R,4aS,6R)-6-[(2S)-1-chloro-2-hydroxypropan-2-yl]-4,4a,5,6,7,8-hexahydro-4,4a-dimethylnaphthalen-2(3H)-one
(2R,3S,4S,5R,6S)-2-hydroxymethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol|arbutine|hydroquinone beta-D-glucopyranoside
7-methoxy-2,8-dimethyl-9,10-dihydrophenantherene-3,6-diol|neonthrene
(3S,4S)-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromene-4,10-diol|cichorin C
2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Phenylhydrazide
COC1=CC=CC2=NC3=C(OC)C(OC)=CC=C3N=C21
C15H14N2O3 (270.10043740000003)
Di-Me ether-3,4,5-Trimethylnaphtho[2,3-b]furan-6,8-diol
7-methyl-1,3,4,5,6,9-hexahydro-azecino[4,5,6-cd]indole-4-carboxylic acid|Clavicipitsaeure
rel-(3aR,4R,5S,7aS)-2-acetyl-3a,4,5,6,7,7a-hexahydro-7a-hydroxy-1H-inden-5-yl acetate|rel-1-[(3aR,4R,5S,7aS)-5-(acetyloxy)-3a,4,5,6,7,7a-hexahydro-7a-hydroxy-3a,4-dimethyl-1H-inden-2-yl]ethanone
7-hydroxy-3-(4-methoxybenzyl)-chroman|7-hydroxy-3-(4-methoxybenzyl)chroman
2,5-Dihydroxy-3-isoprenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde|2,5-dihydroxy-3-isopropenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
10-Hydroxy-4,9-dimethyl-3,6-dodecadienedioic acid|3xi-Hydroxy-4xi,9-dimethyl-6E,9E-dodecadiendisaeure
(E)-3,5,4-Trimethoxystilbene
(E)-3,5,4-Trimethoxystilbene is a natural product found in Dalea versicolor, Streptomyces avermitilis, and other organisms with data available. Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1] Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1]
7-Methoxy-b-carboline-1-propionicacid
C15H14N2O3 (270.10043740000003)
7-Methoxy-beta-carboline-1-propionic acid is a natural product found in Eurycoma longifolia with data available.
10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2701 CONFIDENCE standard compound; INTERNAL_ID 2039
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione
6-(2,4-dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0⁷,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate
tolbutamide
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 V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CA - Tests for diabetes An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position. D007004 - Hypoglycemic Agents
Cuscutamine
C15H14N2O3 (270.10043740000003)
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based on: CCMSLIB00000845774]
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based: Match]
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0⁷,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate_major
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0?,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate
Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)
Asp-his
A dipeptide composed of L-aspartic acid and L-histidine joined by a peptide linkage.
His-asp
A dipeptide formed from L-histidine and L-aspartic acid residues.
UV absorber NL 3
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
tert-Butyl Methyl(2-(2,2,2-trifluoroacetamido)ethyl)carbamate
Benzyl 4-piperidinylcarbamate hydrochloride (1:1)
C13H19ClN2O2 (270.11349839999997)
BENZYL (5-ACETYLPYRIDIN-2-YL)CARBAMATE
C15H14N2O3 (270.10043740000003)
4-(4-hydroxy-phenylazo)benzoic acid ethyl ester
C15H14N2O3 (270.10043740000003)
Benzenamine,N,N-dimethyl-4-[2-(3-nitrophenyl)diazenyl]-
(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHANAMINE
2-AMINO-4-(4-ISOBUTYLPHENYL)-5-METHYLTHIOPHENE-3-CARBONITRILE
3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
(4-FLUORO-3-NITRO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
TERT-BUTYL N-[(4-CYCLOPROPYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL)METHYL]CARBOXYLATE
C11H18N4O2S (270.11504080000003)
N-CYCLOPROPYL-6-(PIPERIDIN-4-YLOXY)PYRIMIDIN-4-AMINE HYDROCHLORIDE
BENZYL PIPERIDIN-3-YLCARBAMATE HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
(3-PYRROLIDINYLMETHYL)-CARBAMIC ACID BENZYL ESTER-HCL
C13H19ClN2O2 (270.11349839999997)
n-(3-methoxyphenyl)-3-oxo-3-pyridin-3-ylpropanamide
C15H14N2O3 (270.10043740000003)
(2S,5S)-5-BENZYL-3-METHYL-2-(5-METHYL-2-FURYL)-4-IMIDAZOLIDINONE
(2S,4S,5R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
2-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
Benzenepropanoic acid, .beta.-hydroxy-.beta.-phenyl-, ethyl ester
Ethyl 5-amino-4-cyano-1-(p-tolyl)-1H-pyrazole-3-carboxylate
Ethyl5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate
(R)-1-Cbz-3-Aminomethylpyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
(R)-Benzyl 2-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(S)-1-Cbz-3-Aminomethylpyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
(S)-1-N-CBZ-2-METHYL-PIPERAZINE-HCl
C13H19ClN2O2 (270.11349839999997)
2-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YL)-1-(5-FLUORO-6-METHYLPYRIDIN-2-YL)ETHANONE
4-AMINO-1-BENZYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid methyl ester nitrate
tert-butyl N-[2-amino-2-(2-chlorophenyl)ethyl]carbamate
C13H19ClN2O2 (270.11349839999997)
6,7-dimethoxy-1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
4-(2-Iso-Propylamino Acetyl)Methane Sulfonanilide HCl
3-HYDROXY-3-(4-METHOXY-PHENYL)-2-METHYL-1-PHENYL-PROPAN-1-ONE
N-[2-AMINO-2-(3-CHLOROPHENYL)ETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
C13H19ClN2O2 (270.11349839999997)
BIS(3-CHLORO-1,2,4-THIADIAZOL-5-YLSULFINYL)METHANE
1-tert-butyl 2-Methyl 4-azidopyrrolidine-1,2-dicarboxylate
1,3-Bis((trimethylsilyl)ethynyl)benzene
C16H22Si2 (270.12599720000003)
Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
2-[2-(furan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C16H19BO3 (270.14271740000004)
2-CYANO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-ACETAMIDE
(5-amino-1-phenyl-1H-pyrazol-3-yl)(piperidin-1-yl)methanone
tert-butyl N-[[2-(aminomethyl)-4-chlorophenyl]methyl]carbamate
C13H19ClN2O2 (270.11349839999997)
2-[3-(2-FURYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C16H19BO3 (270.14271740000004)
2-(3,4-difluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TERT-BUTYL 2-(HYDROXYMETHYL)-6,7-DIHYDROTHIAZOLO[4,5-C]PYRIDINE-5(4H)-CARBOXYLATE
[1,4-Bipiperidine]-3-methanol dihydrochloride
C11H24Cl2N2O (270.12655939999996)
3-[(4-methylpiperazin-1-yl)methyl]benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate
2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carbonitrile
3-(2,3-DIMETHYLPHENOXYMETHYL)-4-METHOXYBENZALDEHYDE
5-(TERT-BUTOXYCARBONYLAMINO-METHYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate
5-[(butylamino)sulphonyl]-2-methoxybenzenediazonium
2-{METHYL[2-(TRIFLUOROMETHYL)QUINOLIN-4-YL]AMINO}ETHAN-1-OL
2-[4-(2-FURYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C16H19BO3 (270.14271740000004)
1-(4-Hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
tert-butyl N-[2-amino-2-(4-chlorophenyl)ethyl]carbamate
C13H19ClN2O2 (270.11349839999997)
3-AMINO-1-BENZYLOXYCARBONYLPIPERIDINEHYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
R-1-CBZ-2-aminomethyl pyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
R-2-(CBZ-AMINOMETHYL)PYRROLIDINE-HCl
C13H19ClN2O2 (270.11349839999997)
Tricyclo[3.3.1.13,7]decane-1-aceticacid, a-chloro-3,5,7-trimethyl-
(5-((TERT-BUTYLDIMETHYLSILYL)OXY)-2-FLUOROPHENYL)BORONIC ACID
C12H20BFO3Si (270.12587320000006)
(S)-Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(1-benzyltriazol-4-yl)methoxymethyl-trifluoroboranuide
3-(2,6-DIMETHYLPHENOXYMETHYL)-4-METHOXYBENZALDEHYDE
2-(DIETHOXYMETHYL)-5,6-DIFLUORO-1-METHYL-1H-BENZO[D]IMIDAZOLE
6-Hydroxynaphthalene-2-boronic acid pinacol ester
C16H19BO3 (270.14271740000004)
ethyl 3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylate
5-(ISOPROPYLSULFONYL)-2-TETRAHYDRO-1H-PYRROL-1-YLPYRIMIDIN-4-AMINE
C11H18N4O2S (270.11504080000003)
1,2-Diphenyltetramethyldisilane
C16H22Si2 (270.12599720000003)
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL METHYLAMINE CHLORIDE
2,2-Azobis(2-methylpropionamidine) dihydrochloride
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
1,4-Bis[(trimethylsilyl)ethynyl]benzene
C16H22Si2 (270.12599720000003)
(6E,9E)-3-Hydroxy-4,9-dimethyl-6,9-dodecadiendeoic acid
2-nitro-n-(1-phenylethyl)benzamide
C15H14N2O3 (270.10043740000003)
(2R)-1-(2,4-Difluorophenyl)-2-(tetrahydro-2H-pyran-2-yloxy)-1-propanone
2-(2,6-difluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Benzo[1,3]dioxol-5-ylMethyl-piperidin-4-yl-aMine hydrochloride
C13H19ClN2O2 (270.11349839999997)
piperazineacetic acid benzyl este
C13H19ClN2O2 (270.11349839999997)
2-(2-(DIFLUOROMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
4-AMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
C13H19ClN2O2 (270.11349839999997)
1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
3-methyl-2-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-one
2-(4-Chloro-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-(DIFLUOROMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
7-(Tert-Butoxycarbonyl)-1-Oxa-2,7-Diazaspiro[4.4]Non-2-Ene-3-Carboxylic Acid
TERT-BUTYL (3-(2-AMINOETHYL)-5-CHLOROPHENYL)CARBAMATE
C13H19ClN2O2 (270.11349839999997)
ETHYL 2-((3-AMINO-5-CHLOROPHENETHYL)(METHYL)AMINO)ACETATE
C13H19ClN2O2 (270.11349839999997)
N,N-Dimethyl-2-(piperazin-1-yl)nicotinamide hydrochloride
2-(CBZ-AMINOMETHYL)PYRROLIDINE HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester
(4-tert-butylphenyl)-(2,4-dihydroxyphenyl)methanone
(R)-Benzyl 3-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(R)-Benzyl 3-aminopiperidine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(S)-Benzyl 3-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
benzyl 3-(aminomethyl)pyrrolidine-1-carboxylate,hydrochloride
C13H19ClN2O2 (270.11349839999997)
benzyl N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate,hydrochloride
C13H19ClN2O2 (270.11349839999997)
Facinicline
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
2-((3,5-Dimethyl-4-hydroxyphenyl)azo)benzoic acid
C15H14N2O3 (270.10043740000003)
4-(1H-Imidazol-4-YL)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1H-pyrazole
1-(4-Nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol
rac trans-10,11-Dihydro-10,11-dihydroxy Carbamazepine
C15H14N2O3 (270.10043740000003)
3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium
N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide
C13H19ClN2O2 (270.11349839999997)
6-Amino-4-(3-furanyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-Amino-4-(2-furanyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-(4-Ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
2-(4-Methylanilino)-1-(4-nitrophenyl)ethanone
C15H14N2O3 (270.10043740000003)
(2R,3R,4S,5R)-2-(6-hydroxy-3,6-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Disilane, 1,1,1,2-tetramethyl-2,2-diphenyl-
C16H22Si2 (270.12599720000003)
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 5,6-dihydro-1-oxo-, ethyl ester
C15H14N2O3 (270.10043740000003)
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-4-fluorobenzenolate
4-(Quinolin-3-Ylmethyl)piperidine-1-Carboxylic Acid
2-[(1S)-1-Benzyl-2-sulfanylethyl]-1H-imidazo[4,5-C]pyridin-5-ium
Voxtalisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively. Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively.
D-erythro-L-galacto-Nonulose
D-erythro-L-gluco-Nonulose is found in avocado. D-erythro-L-gluco-Nonulose is isolated from avocado. Isolated from avocado. D-erythro-L-gluco-Nonulose is found in avocado and fruits.
N-[(1E)-2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene]-2-phenylacetohydrazide
C15H14N2O3 (270.10043740000003)
Phenol, 2,4-dimethoxy-5-[(1R)-1-phenyl-2-propenyl]-
(5S)-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid
C15H14N2O3 (270.10043740000003)
(2S)-2-amino-5-[[(1S)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]amino]-5-oxopentanoic acid
methyl-1-(2,2-dimethylindan-1S-yl)-imidazole-5-carboxylate
R-(-)-methyl-1-(2,2-dimethylindan-1-yl)-imidazole-5-carboxylate
(2S)-4-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)-1,2-dihydropyrrol-5-one
C15H14N2O3 (270.10043740000003)
4-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-2-(methylamino)butanoic acid
4-{4-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}-2-(methylazaniumyl)butanoate
Conferol B
A member of the class of isoflavans that is isoflavan with a hydroxy group at position 4, a methyl group at position 7 and a methoxy group at position 2 (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay.
3-Anilino-1-(3-nitrophenyl)-1-propanone
C15H14N2O3 (270.10043740000003)
5,6-dimethyl-N-(3-pyridinylmethyl)-4-thieno[2,3-d]pyrimidinamine
N-[(2-methoxyanilino)-oxomethyl]benzamide
C15H14N2O3 (270.10043740000003)
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
C16H15FN2O (270.11683519999997)
12-Imino-9-methyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile
1-Butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-pyrimidinone
Ethyl 2-phenylethyl butylphosphonate
A phosphonic ester obtained by the esterification of both the hydroxy groups of butylphosphonic acid with ethanol and 2-phenylethanol respectively.
N-[4-(dimethylamino)phenyl]-3-(5-methyl-2-furyl)acrylamide
N-(4-acetylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
C15H14N2O3 (270.10043740000003)
2-Amino-5,6-dimethoxy-1-spiro[cyclopentane-1,3-indene]carbonitrile
(2Z)-2-(3-aminoisoindol-1-ylidene)-2-cyano-N-(2-methoxyethyl)acetamide
4-acetyl-3,5-dimethyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
4-acetamido-N-(2-hydroxyphenyl)benzamide
C15H14N2O3 (270.10043740000003)
6-(2,4-Dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one
5-(4-Nitrophenyl)-3-phenyloxazolidine
C15H14N2O3 (270.10043740000003)
CHLOROPROCAINE
C13H19ClN2O2 (270.11349839999997)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Hypoglycine b
An L-glutamyl amino acid that is (2S,4S)-hypoglycin A in which the amino group has been acylated by the gamma-carboxy group of L-glutamic acid.
bacilysin zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of bacilysin; major species at pH 7.3.
Hypoglycin B
A diastereoisometic mixture containing (2S,4R)- and (2S,4S)-hypoglycin B. A metabolite of hypoglycin A found in unripe ackee fruit.
4-tert-Butylphenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(10s,11s)-10,11-Dihydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide
C15H14N2O3 (270.10043740000003)
Ciproxifan
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
(2S,4R)-hypoglycin B
A 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the gamma-carboxy group of L-glutamic acid.
(10R,11R)-dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
The (10R,11R)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion
Conjugate base of 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine where both carboxy groups are anionic and both the primary and secondary amino groups are protonated; major species at pH 7.3.
(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
The (10S,11S)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
(6r)-6-(4-oxo-6-phenylhex-2-en-1-yl)-5,6-dihydropyran-2-one
(3e,6z)-5-hydroxy-1-methyl-3-(2-methylpropylidene)-6-(phenylmethylidene)pyrazin-2-one
(2e)-4-[2-hydroxy-3-(propan-2-ylidene)indol-6-yl]-2-methylbut-2-enimidic acid
4-{[(4-acetyl-3-methyloxolan-2-yl)oxy]methyl}-3,5-dimethyloxolan-2-one
{2-methoxy-6,6-dimethylbenzo[c]chromen-9-yl}methanol
2-[(2e,4ar,6r,7s,8as)-6-chloro-7-hydroxy-5,5,8a-trimethyl-hexahydro-1h-naphthalen-2-ylidene]acetaldehyde
(3r)-3-[(2r)-butan-2-yl]-1-hydroxy-4-methyl-3h-pyrrolo[3,4-b]quinolin-6-one
(2s)-2-amino-4-{[(1s)-1-carboxy-2-[(1s)-2-methylidenecyclopropyl]ethyl]-c-hydroxycarbonimidoyl}butanoic acid
3-{7-methoxy-9h-pyrido[3,4-b]indol-1-yl}propanoic acid
C15H14N2O3 (270.10043740000003)