Exact Mass: 244.1099386
Exact Mass Matches: 244.1099386
Found 500 metabolites which its exact mass value is equals to given mass value 244.1099386,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Osthol
Osthol, also known as 7-methoxy-8-(3-methylpent-2-enyl)coumarin, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Osthol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Osthol can be found in a number of food items such as wild celery, lemon, parsley, and wild carrot, which makes osthol a potential biomarker for the consumption of these food products. Osthol is an O-methylated coumarin. It is a calcium channel blocker, found in plants such as Cnidium monnieri, Angelica archangelica and Angelica pubescens . Osthole is a member of coumarins and a botanical anti-fungal agent. It has a role as a metabolite. Osthole is a natural product found in Murraya alata, Pentaceras australe, and other organisms with data available. See also: Angelica pubescens root (part of). D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
Linderalactone
Isolinderalactone is a member of benzofurans. It has a role as a metabolite. Isolinderalactone is a natural product found in Neolitsea villosa, Neolitsea hiiranensis, and other organisms with data available. A natural product found in Neolitsea daibuensis. Linderalactone is a natural product found in Neolitsea umbrosa, Neolitsea villosa, and other organisms with data available. Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2]. Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2].
Biotin
Biotin (also known as vitamin B7 or vitamin H) is one of the B vitamins.[1][2][3] It is involved in a wide range of metabolic processes, both in humans and in other organisms, primarily related to the utilization of fats, carbohydrates, and amino acids.[4] The name biotin, borrowed from the German Biotin, derives from the Ancient Greek word βίοτος (bíotos; 'life') and the suffix "-in" (a suffix used in chemistry usually to indicate 'forming').[5] Biotin appears as a white, needle-like crystalline solid.[6] Biotin is an organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. It has a role as a prosthetic group, a coenzyme, a nutraceutical, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite, a cofactor and a fundamental metabolite. It is a member of biotins and a vitamin B7. It is a conjugate acid of a biotinate. A water-soluble, enzyme co-factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Biotin is a natural product found in Lysinibacillus sphaericus, Aspergillus nidulans, and other organisms with data available. Biotin is hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid. Growth factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. The biotin content of cancerous tissue is higher than that of normal tissue. Biotin is an enzyme co-factor present in minute amounts in every living cell. Biotin is also known as vitamin H or B7 or coenzyme R. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin has been recognized as an essential nutrient. Our biotin requirement is fulfilled in part through diet, through endogenous reutilization of biotin and perhaps through capture of biotin generated in the intestinal flora. The utilization of biotin for covalent attachment to carboxylases and its reutilization through the release of carboxylase biotin after proteolytic degradation constitutes the biotin cycle. Biotin deficiency is associated with neurological manifestations, skin rash, hair loss and metabolic disturbances that are thought to relate to the various carboxylase deficiencies (metabolic ketoacidosis with lactic acidosis). It has also been suggested that biotin deficiency is associated with protein malnutrition, and that marginal biotin deficiency in pregnant women may be teratogenic. Biotin acts as a carboxyl carrier in carboxylation reactions. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC) and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a Lysine residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC) and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a Lys residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. Evidence is emerging that biotin participates in processes other than classical carboxylation reactions. Specifically, novel roles for biotin in cell signaling, gene expression, and chromatin structure have been identified in recent years. Human cells accumulate biotin by using both the sodium-dependent multivitamin transporter and monocarboxylate transporter 1. These transporters and other biotin-binding proteins partition biotin to compartments involved in biotin signaling: cytoplasm, mitochondria, and nuclei. The activity of cell signals such as biotinyl-AMP, Sp1 and Sp3, nuclear factor (NF)-kappaB, and receptor tyrosine kinases depends on biotin supply. Consistent with a role for biotin and its catabolites in ... Biotin is an enzyme co-factor present in minute amounts in every living cell. Biotin is also known as coenzyme R and vitamin H or B7. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin has been recognized as an essential nutrient. Humans fulfill their biotin requirement through their diet through endogenous reutilization of biotin and perhaps through the capture of biotin generated in the intestinal flora. The utilization of biotin for covalent attachment to carboxylases and its reutilization through the release of carboxylase biotin after proteolytic degradation constitutes the biotin cycle. Biotin deficiency is associated with neurological manifestations, skin rash, hair loss, and metabolic disturbances that are thought to relate to the various carboxylase deficiencies (metabolic ketoacidosis with lactic acidosis). It has also been suggested that biotin deficiency is associated with protein malnutrition, and that marginal biotin deficiency in pregnant women may be teratogenic. Biotin acts as a carboxyl carrier in carboxylation reactions. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC), and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a lysine residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. Evidence is emerging that biotin participates in processes other than classical carboxylation reactions. Specifically, novel roles for biotin in cell signalling, gene expression, and chromatin structure have been identified in recent years. Human cells accumulate biotin by using both the sodium-dependent multivitamin transporter and monocarboxylate transporter 1. These transporters and other biotin-binding proteins partition biotin to compartments involved in biotin signalling: cytoplasm, mitochondria, and nuclei. The activity of cell signals such as biotinyl-AMP, Sp1 and Sp3, nuclear factor (NF)-kappaB, and receptor tyrosine kinases depends on biotin supply. Consistent with a role for biotin and its catabolites in modulating these cell signals, greater than 2000 biotin-dependent genes have been identified in various human tissues. Many biotin-dependent gene products play roles in signal transduction and localize to the cell nucleus, consistent with a role for biotin in cell signalling. Posttranscriptional events related to ribosomal activity and protein folding may further contribute to the effects of biotin on gene expression. Finally, research has shown that biotinidase and holocarboxylase synthetase mediate covalent binding of biotin to histones (DNA-binding proteins), affecting chromatin structure; at least seven biotinylation sites have been identified in human histones. Biotinylation of histones appears to play a role in cell proliferation, gene silencing, and the cellular response to DNA repair. Roles for biotin in cell signalling and chromatin structure are consistent with the notion that biotin has a unique significance in cell biology (PMID: 15992684, 16011464). Present in many foods; particularly rich sources include yeast, eggs, liver, certain fish (e.g. mackerel, salmon, sardines), soybeans, cauliflower and cow peas. Dietary supplement. Isolated from various higher plant sources, e.g. sweet corn seedlings and radish leaves An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. [Raw Data] CB004_Biotin_pos_50eV_CB000006.txt [Raw Data] CB004_Biotin_pos_30eV_CB000006.txt [Raw Data] CB004_Biotin_pos_40eV_CB000006.txt [Raw Data] CB004_Biotin_pos_20eV_CB000006.txt [Raw Data] CB004_Biotin_pos_10eV_CB000006.txt [Raw Data] CB004_Biotin_neg_10eV_000006.txt [Raw Data] CB004_Biotin_neg_20eV_000006.txt Biosynthesis Biotin, synthesized in plants, is essential to plant growth and development.[22] Bacteria also synthesize biotin,[23] and it is thought that bacteria resident in the large intestine may synthesize biotin that is absorbed and utilized by the host organism.[18] Biosynthesis starts from two precursors, alanine and pimeloyl-CoA. These form 7-keto-8-aminopelargonic acid (KAPA). KAPA is transported from plant peroxisomes to mitochondria where it is converted to 7,8-diaminopelargonic acid (DAPA) with the help of the enzyme, BioA. The enzyme dethiobiotin synthetase catalyzes the formation of the ureido ring via a DAPA carbamate activated with ATP, creating dethiobiotin with the help of the enzyme, BioD, which is then converted into biotin which is catalyzed by BioB.[24] The last step is catalyzed by biotin synthase, a radical SAM enzyme. The sulfur is donated by an unusual [2Fe-2S] ferredoxin.[25] Depending on the species of bacteria, Biotin can be synthesized via multiple pathways.[24] Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin, vitamin B7 and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3].
Etomidate
Etomidate is only found in individuals that have used or taken this drug. It is an midazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic. [PubChem]Etomidate binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. 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 N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Flurbiprofen
Flurbiprofen, a propionic acid derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with antipyretic and analgesic activity. Oral formulations of flurbiprofen may be used for the symptomatic treatment of rheumatoid arthritis, osteoarthritis and anklylosing spondylitis. Flurbiprofen may also be used topically prior to ocular surgery to prevent or reduce intraoperative miosis. Flurbiprofen is structurally and pharmacologically related to fenoprofen, ibuprofen, and ketoprofen. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Cyclo(Phe-Pro)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
3,3'-Dimethoxybenzidine
CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4566; ORIGINAL_PRECURSOR_SCAN_NO 4562 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4500; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4448 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4493; ORIGINAL_PRECURSOR_SCAN_NO 4488 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4505; ORIGINAL_PRECURSOR_SCAN_NO 4500 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4496; ORIGINAL_PRECURSOR_SCAN_NO 4493 CONFIDENCE standard compound; INTERNAL_ID 4140 CONFIDENCE standard compound; INTERNAL_ID 2427
Encelin
Encelin is found in herbs and spices. Encelin is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). Encelin is found in herbs and spices.
Batatasin IV
Batatasin IV is found in root vegetables. Batatasin IV is a constituent of the bulbs of Dioscorea batatus (Chinese yam)
Carbapenem biosynthesis intermediate 2
C10H16N2O3S (244.08815859999999)
Batatasin III
Batatasin III is a stilbenoid. batatasin III is a natural product found in Bulbophyllum reptans, Cymbidium aloifolium, and other organisms with data available. Batatasin III is found in root vegetables. Batatasin III is a constituent of Dioscorea batatas (Chinese yam) Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1]. Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1]. Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1].
(2S,4S)-Pinnatanine
(2S,4S)-Pinnatanine is found in root vegetables. (2S,4S)-Pinnatanine is a constituent of Hemerocallis fulva (day lily)
threo-Syringoylglycerol
erythro-Syringoylglycerol is found in alcoholic beverages. erythro-Syringoylglycerol is a constituent of the roots of Coix lachryma-jobi (Jobs tears)
3-(1,1-Dimethylallyl)herniarin
3-(1,1-Dimethylallyl)herniarin is found in herbs and spices. 3-(1,1-Dimethylallyl)herniarin is a constituent of Ruta graveolens (rue)
Haematopodin
Haematopodin is found in root vegetables. Haematopodin is a pigment from fruiting bodies of the toadstool Mycena haematopus (blood mycena). Pigment from fruiting bodies of the toadstool Mycena haematopus (blood mycena). Haematopodin is found in root vegetables.
Glandulone B
Glandulone B is found in fats and oils. Glandulone B is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Glandulone B is found in fats and oils.
Indolylacryloylglycine
Indolylacryloylglycine (IAG) is a compound that is derived, in the same way as many other indole compounds, from tryptophan or indole compounds in the diet. It is likely a product of gut metabolism although the exact source is still unclear. IAG is elevated in the urine of autistic children with gastrointestinal disturbances. Indolylacryloylglycine (IAG) is a compound that is derived, in the same way as many other indole compounds, from tryptophan or indole compounds in the diet as it is impossible for the body to make these basics. IAG is found in the urine but the source within the body is unclear. [HMDB]
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran is found in beverages. 5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran is a constituent of a fungus obtained from wintergreen (Gaultheria procumbens)
Prolyl-Glutamate
Prolyl-Glutamate is a dipeptide composed of proline and glutamate. 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.
Glutamylproline
Glutamylproline is a dipeptide composed of glutamate and proline, 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. Glutamylproline 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.
Hydroxyprolylhydroxyproline
Hydroxyprolylhydroxyproline is a dipeptide composed of of two hydroxyproline residues. 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.
gamma-Glutamylproline
gamma-Glutamylproline is a dipeptide composed of gamma-glutamate and proline, 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. gamma-Glutamylproline 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. gamma-Glutamylproline is a biomarker for the consumption of beer.
Polyethylene, oxidized
Polyethylene, oxidized is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3'-DEOXY-3'-FLUOROTHYMIDINE
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
Amidephrine
C10H16N2O3S (244.08815859999999)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Bioepiderm
C10H16N2O3S (244.08815859999999)
Veliparib
C13H16N4O (244.13240459999997)
Suberosin
Suberosin, also known as 7-methoxy-6-prenylcoumarin, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Suberosin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Suberosin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes suberosin a potential biomarker for the consumption of these food products. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2]. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2].
Suberosin
Suberosin is a member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. It has a role as a plant metabolite and an anticoagulant. It is a member of coumarins and an aromatic ether. It is functionally related to a 7-demethylsuberosin. Suberosin is a natural product found in Zanthoxylum ovalifolium, Prangos bucharica, and other organisms with data available. A member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2]. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2].
Tensyuic acid F
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(ethoxycarbonyl)propyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.
Lumiyomogin
dehydroleucodin
Dehydroleucodine is a natural product found in Eupatorium capillifolium, Podachaenium eminens, and other organisms with data available.
Chloranthalactone B
Chloranthalactone B is a natural product found in Chloranthus serratus and Sarcandra glabra with data available.
[3aR-(3aalpha,4aalpha,7aalpha,9abeta)]-Octahydro-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2,6(3H,4H)-dione
(-)-Yomogin
Tensyuic acid A
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(methoxycarbonyl)propyl group and in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
Dehydrobrachylaenolide
isolinderalactone
Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi
2-Fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}benzonitrile
7-methoxyplatyphyllide|8-isopropenyl-3-methoxy-6,7,8,8a-tetrahydro-naphtho[1,8-bc]furan-2-one
E-werneria chromene|Me ester-3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid|Werneria chromene
(3aS,5aS,9bS)-5a,9-dimethyl-3-methylene-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione|11,13-dehydrosantonin|3-oxo-6betaH-eudesma-1,4,11-trien-6,12-olide|3-oxo-7alphaH,6betaH-eudesma-1,4,11-trien-6,12-olide|3-oxoeudesm-6betaH-1,4,11-trien-6,13-olide|3-oxoeudesma-1,4,11(13)-trien-12,6alpha-olide|6beta,7alphaH-3-oxoeudesma-1(2),4(5),11(13)-trien-12,6-olide
pandangolide 1
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1a.
(5??,8??)-2-Oxo-1(10),3,7(11)-guaiatrien-12,8-olide
(+_)-1-(2,4-Dihydroxy-6-methylphenyl)-1-(4-hydroxyphenyl)ethane
(E)-3,5-Dimethyl-6-(3-pentenyl)-4,7-benzofurandione|2-(3-Pentenyl)-3,7-dimethylbenzofuran-1,4-dione|3,5-dimethyl-6-[(3E)-pent-3-en-1-yl]-1-benzofuran-4,7-dione
(1alpha,5alpha,6alpha)-form-15-Oxo-3,19(14),11(13)-guaiatrien-12,6-olide
1,8-dimethyl-5-hydroxymethyl-9-oxo-6,7,8,9-tetrahydronaphtho[2,1-b]furan|goldfussin A
(3S*,4R*,5R*)-3-hydroxymethyl-4-(1-acetoxyisopropyl)-5-isopropenyl-1,2-dioxolane
(E)-4-methoxy-3-methyl-6-styryl-5,6-dihydro-2H-pyran-2-one|4-methoxy-3-methylgoniothalamin
(7S,8Z)-3-hydroxy-1,3,5,8,10-penten-9,15-bisabolanolide|abiesesquine A
Osthol
Osthole is a member of coumarins and a botanical anti-fungal agent. It has a role as a metabolite. Osthole is a natural product found in Murraya alata, Pentaceras australe, and other organisms with data available. See also: Angelica pubescens root (part of). A natural product found in Peucedanum ostruthium and Angelica pubescens. D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Origin: Plant, Coumarins Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
(7R)-2-oxo-guaia-1(10),3(4),5(6),11(13)-tetraen-12-oic acid|2-((5R)-3,8-dimethyl-1-oxo-5,6,7-trihydroazulen-5-yl)prop-2-enoic acid|dehydroparishin-B
4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone
(1S,8aS)-1-(3-furyl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
3,8a-Dimethyl-5-methylene-2,4,4a,5,6,8a,9,9a-octahydronaphtho[2,3-b]furan-2,6-dione
7-(1,2-Dihydroxy-1-methylethyl)-4-methylazulene-1-carbaldehyde
(6alpha,8alpha)-8-Hydroxy-1(10),2,4,11(13)-guaiatetraen-12-6-olide
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid ethyl ester
7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1] nonan-3-one
(E)-4-(1,5-dimethyl-3-oxo-1,4-hexadienyl)benzoic acid
(5beta,8alpha,9alpha,10beta)-5,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one|stagonolide B
(E)-3-[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-2-propenoic acid methyl ester|3-(2-isopropenyl-2,3H-benzofuran)propenoic acid|Me ester-3-(2,3-Dihydro-2-isopropenyl-5-benofuranyl)-2-propenoic acid
(5alpha,6alpha)-form-14-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide
4-methoxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
(9aS)-9a-hydroxy-3,5,8-trimethyl-9,9a-dihydronaphtho[2,3-b]furan-2(4H)-one|myrrhanolide A
furanoeremophil-3-en-15,6alpha-olide|furoeremophil-3-en-14,6alpha-olide|fuuranoeremophil-3-en-14,6alpha-olide
4beta-carbomethoxy-6beta,8beta-dihydroxy-8alpha-methyliridolactone|shanzhilactone
3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid
Epicar
Pilocarpine hydrochloride is the hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth. It contains a (+)-pilocarpine. Pilocarpine Hydrochloride is the hydrochloride salt of a natural alkaloid extracted from plants of the genus Pilocarpus with cholinergic agonist activity. As a cholinergic parasympathomimetic agent, pilocarpine predominantly binds to muscarinic receptors, thereby inducing exocrine gland secretion and stimulating smooth muscle in the bronchi, urinary tract, biliary tract, and intestinal tract. When applied topically to the eye, this agent stimulates the sphincter pupillae to contract, resulting in miosis; stimulates the ciliary muscle to contract, resulting in spasm of accomodation; and may cause a transitory rise in intraocular pressure followed by a more persistent fall due to opening of the trabecular meshwork and an increase in the outflow of aqueous humor. A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma. See also: Pilocarpine (has active moiety); Betaxolol hydrochloride; pilocarpine hydrochloride (component of). D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
Biotin
C10H16N2O3S (244.08815859999999)
A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2876; ORIGINAL_PRECURSOR_SCAN_NO 2873 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2877; ORIGINAL_PRECURSOR_SCAN_NO 2875 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2896; ORIGINAL_PRECURSOR_SCAN_NO 2894 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2875; ORIGINAL_PRECURSOR_SCAN_NO 2872 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2894; ORIGINAL_PRECURSOR_SCAN_NO 2891 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2908; ORIGINAL_PRECURSOR_SCAN_NO 2906 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6231; ORIGINAL_PRECURSOR_SCAN_NO 6229 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6248; ORIGINAL_PRECURSOR_SCAN_NO 6246 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6251; ORIGINAL_PRECURSOR_SCAN_NO 6246 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6253; ORIGINAL_PRECURSOR_SCAN_NO 6251 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6265; ORIGINAL_PRECURSOR_SCAN_NO 6263 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6256; ORIGINAL_PRECURSOR_SCAN_NO 6253 CONFIDENCE standard compound; INTERNAL_ID 219 INTERNAL_ID 219; CONFIDENCE standard compound relative retention time with respect to 9-anthracene Carboxylic Acid is 0.474 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.471 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.469 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.470 Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin, vitamin B7 and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3].
5,6-dihydrothymidine
A pyrimidine 2-deoxyribonucleoside having dihydrothymine as the nucleobase. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.064 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.060 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.061
flurbiprofen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
methyl (E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoate
7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
Cyclo(Pro-Phe)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
C14H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)
Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)), a Vibrio vulnificus quorum-sensing molecule, inhibits retinoic acid-inducible gene-I (RIG-I) polyubiquitination, through its specific interaction with RIG-I, to blunt IRF-3 activation and type-I IFN production. Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)) enhances susceptibility to hepatitis C virus (HCV), as well as Sendai and influenza viruses[1].
Etomidate
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 N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
(3R,8aS)-Cyclo(phenylalanylprolyl)
Origin: Microbe; SubCategory_DNP: Peptides, Cyclic peptides, Piperazines
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based: Match]
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based on: CCMSLIB00000848611]
Biotin [M+H-H2O]+; AIF; CE0; CorrDec
C10H16N2O3S (244.08815859999999)
Biotin [M+H-H2O]+; AIF; CE10; CorrDec
C10H16N2O3S (244.08815859999999)
Biotin [M+H-H2O]+; AIF; CE30; CorrDec
C10H16N2O3S (244.08815859999999)
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one_major
Esflurbiprofen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Tarenflurbil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
(2S,4S)-Pinnatanine
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
Haematopodin
(6E)-3,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
Lodosyn
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
2-(diethylamino)-6-methylpyridine-4-carboxylic acid,hydrochloride
3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)propionic acid
5-THIOPHEN-2-YL-1,2,3,4,5,6-HEXAHYDRO-[2,4]BIPYRIDINYL
C14H16N2S (244.10341359999998)
1-(4-Aminophenyl)-3-(1-pyrrolidino)-5-pyrazolone
C13H16N4O (244.13240459999997)
2-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
METHYL 6-FLUORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLATE
3-((3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY)BENZALDEHYDE
5-METHYL-2-(4-METHYLPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-AMINO-2-(3-PYRIDINYL)-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER
(1S,2S,5R)-1-ALLYL-2-ISOPROPYL-5-METHYLCYCLOHEXANOL
Benzofuran-2-boronic acid, pinacol ester
C14H17BO3 (244.12706820000002)
Pyrrolo[2,1-b]quinazoline-6-carboxylic acid, 1,2,3,9-tetrahydro-9-oxo-, hydrazide (9CI)
Ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
tert-butyl 3-(Methylsulfanyl)-2,5,6,7-tetrahydro-1H-1,4-diazepin
C11H20N2O2S (244.12454200000002)
(4-Isobutylmorpholin-2-yl)methanamine dihydrochloride
C9H22Cl2N2O (244.11091019999998)
(2S,4S)-N-Boc-4-hydroxypiperidine-2-carboxylic acid benzylamine salt
C11H18NO5 (244.11849180000002)
Boronic acid, (6-butoxy-2-naphthalenyl)- (9CI)
C14H17BO3 (244.12706820000002)
2-(benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H17BO3 (244.12706820000002)
(E)-(1,2-difluoro-1,2-ethendiyl)-bis-[4-methylbenzene]
Ethyl 1,3,4,5-tetrahydro-2H-pyrido[4,3,b]indole-2-carboxylate
N1-Benzyloxycarbonyl-1,3-diaminopropane hydrochloride
3-[2-OXO-2-PHENYL-ETH-(Z)-YLIDENE]-[1,4]DIAZOCAN-2-ONE
Veliparib
C13H16N4O (244.13240459999997)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
2-Benzyl-5-Methyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
C10H16N2O3S (244.08815859999999)
6-methyl-2-[2-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazinyl]-1H-pyrimidin-4-one
1-(DIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
Alovudine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Alovudine (3'-Fluoro-3'-deoxythymidine) is a marker of DNA synthesis that is less susceptible to inflammatory changes than 18F-Fluorodeoxyglucose (FDG) and thus is a better biomarker in pancreatic cancer. Alovudine shows anti-orthopoxvirus activity[1][2].
4-(5-Phenyl-1,3-thiazol-2-yl)piperidine
C14H16N2S (244.10341359999998)
1-(3-FLUORO-4-METHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID
8-Azido-6-benzyl-2-oxa-6-azaspiro[3.4]octane
C13H16N4O (244.13240459999997)
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
C14H17BO3 (244.12706820000002)
chrysen-6-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 6 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
4-PIPERIDINECARBOXAMIDE, 1-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-
C13H16N4O (244.13240459999997)
1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
(1,2-DIMETHYL-1H-BENZOIMIDAZOL-5-YL)-(4-ETHOXY-BENZYL)-AMINE
2,7-Diazaspiro[4.4]nonane-1,3-dione, 2-(phenylmethyl)-
ethyl (Z)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate
Propanedioic acid,2-(2,2-dimethyl-1-oxopropyl)-, 1,3-diethyl ester
3-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-4-METHOXY-BENZALDEHYDE
(1,3-Bis(methoxymethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
3-(tert-Butyldimethylsilyloxy)glutaric anhydride
C11H20O4Si (244.11308000000002)
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile
tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
C11H20N2O2S (244.12454200000002)
c-(4-butyl-morpholin-2-yl)-methylamine dihydrochloride
C9H22Cl2N2O (244.11091019999998)
1-(1-PHENYL-1,3,4,9-TETRAHYDRO-BETA-CARBOLIN-2-YL)-ETHANONE
6-benzyl-5,7-dioxo-octahydropyrrolo[3,4-b] pyridine
(S)-1-(tert-Butoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
4-PHENYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE
C14H16N2S (244.10341359999998)
[4-(4-ethylphenyl)-2-fluorophenyl]boronic acid
C14H14BFO2 (244.10708260000004)
6-DEOXY-1,2:3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan
C14H17BO3 (244.12706820000002)
1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
(3aR,8aS,9aR)-5,8a-Dimethyl-3-methylene-3a,8a,9,9a-tetrahydronaph tho[2,3-b]furan-2,6(3H,4H)-dione
(S)-5-(2-AMinopropyl)-2-MethoxybenzenesulfonaMide
C10H16N2O3S (244.08815859999999)
2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
1-(5-Fluoro-quinolin-8-yl)-piperidin-4-one
C14H13FN2O (244.10118599999998)
DIENDO-3-BENZOYLBICYCLO[2.2.1!HEPTANE-2-CARBOXYLIC ACID
3-fluoro-4-(4-methylpiperidin-1-yl)aniline
C12H18ClFN2 (244.11424699999998)
4-Methyl-1-(phenylmethyl)-1H-imidazole-2-carboxylic acid ethyl ester
3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester
Benzo[b]furan-3-boronic acid, pinacol ester
C14H17BO3 (244.12706820000002)
Benzyl [(2R)-2-aminopropyl]carbamate hydrochloride (1:1)
2,3,6,7-Tetrahydro-9-[(E)-2-nitrovinyl]-1H,5H-benzo[ij]quinolizine
2-[(1R,2R)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol
3-Amino-N,N-diethyl-4-hydroxybenzenesulfonamide
C10H16N2O3S (244.08815859999999)
5-AMINO-N-(2-HYDROXYETHYL)-2,3-DIMETHYLBENZENESULFONAMIDE
C10H16N2O3S (244.08815859999999)
2-methyl-N-[(2-methyl-1-oxopyridin-1-ium-4-ylidene)amino]-1-oxidopyridin-4-imine
(S)-BENZYL 2-(CYANOMETHYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl 3-(thiocarbamoyl)piperidine-1-carboxylate
C11H20N2O2S (244.12454200000002)
4-(tert-Butoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxopiperazine-2-carboxylic acid
3-Deoxy-3-(18F)fluorothymidine
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
5-[(3AS,4R,6AR)-2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-YL]pentanoic acid
C10H16N2O3S (244.08815859999999)
7-Methyl-5-(1-methylethyl)-2H-naphtho(1,8-bc)furan-3,4-diol
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
C13H16N4O (244.13240459999997)
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester
(alphaE)-2,2-Dimethyl-2H-1-benzopyran-6-acrylic acid methyl ester
Safrazine hydrochloride
C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Benzo[c]phenanthren-3-ol
A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 3 has been replaced by a hydroxy group.
Benzo[c]phenanthren-1-ol
A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 1 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene.
Benzo[c]phenanthren-2-ol
A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 2 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene and a weak xenoestrogen.
5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid
C10H16N2O3S (244.08815859999999)
2-anilino-N-(4-fluorophenyl)acetamide
C14H13FN2O (244.10118599999998)
Pilocarpine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
Ostol
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-
Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)), a Vibrio vulnificus quorum-sensing molecule, inhibits retinoic acid-inducible gene-I (RIG-I) polyubiquitination, through its specific interaction with RIG-I, to blunt IRF-3 activation and type-I IFN production. Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)) enhances susceptibility to hepatitis C virus (HCV), as well as Sendai and influenza viruses[1].
3,4,9-Trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
8-Hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
CYCLO(-PHE-PRO)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
3-Oxo-7-methyloctanoic acid 2-oxo-3-hydroxypropyl ester
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylazanium
C9H14N3O5+ (244.09334139999999)
Imiloxan
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Pandangolide 1a
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1.
1-Hydroxy-3,9-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
N-demethylindolmycin(1+)
An organic cation obtained by protonation at position 3 in the oxazole ring of N-demethylindolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3,11-Dimethyl-4,8,9,12-tetrahydro-6H-4,7-(metheno)furo[3,2-c]oxacycloundecin-6-one
1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidine
C10H16N2O3S (244.08815859999999)
2-[2-Oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
(2E)-2-(aminothioxomethyl)-3-(2,3,5,6-tetramethylphenyl)prop-2-enenitrile
C14H16N2S (244.10341359999998)
3-Amino-8-methoxy-2-methyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one
4-amino-5-[(2R)-2-borono-1-pyrrolidinyl]-5-oxopentanoic acid
C9H17BN2O5 (244.12304619999998)
5,5-Dimethyl-2-(pyridin-3-yliminomethyl)cyclohexane-1,3-dione
2-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrazin-6-one
N-(3-imidazol-1-ylpropyl)-7H-purin-1-ium-6-amine
C11H14N7+ (244.13106240000002)
1-Naphthalenecarboxylic acid, trimethylsilyl ester
C14H16O2Si (244.09195160000002)
1-(2-Amino-4-carboxybutanoyl)pyrrolidine-2-carboxylic acid
2-Naphthoic acid trimethylsilyl ester
C14H16O2Si (244.09195160000002)
Methyl 2-cyano-3-methyl-5-phenylpyrrolidine-4-carboxylate ((2S)2,3-cis-3,4-trans-4,5-cis)
2-(4-Methylphenyl)-5-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
vitamin H
C10H16N2O3S (244.08815859999999)
Amidephrine
C10H16N2O3S (244.08815859999999)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
chrysen-3-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
chrysen-2-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 2 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
tetraphen-1-ol
A member of the class of tetraphenes that is tetraphene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a urinary hydroxylated metabolite of tetraphene (benzo[a]anthracene).
chrysen-1-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
chrysen-4-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 4 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
tyrvalin
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and (4-hydroxyphenyl)methyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus.
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C10H16N2O3S (244.08815859999999)
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and methyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.