Exact Mass: 244.0888
Exact Mass Matches: 244.0888
Found 500 metabolites which its exact mass value is equals to given mass value 244.0888,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3,3',4'5-Tetrahydroxystilbene
Piceatannol is a stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. It has a role as a protein kinase inhibitor, a tyrosine kinase inhibitor, an antineoplastic agent, a plant metabolite, a hypoglycemic agent, an apoptosis inducer and a geroprotector. It is a stilbenol, a member of resorcinols, a member of catechols and a polyphenol. It derives from a hydride of a trans-stilbene. Piceatannol is a natural product found in Vitis amurensis, Smilax bracteata, and other organisms with data available. Piceatannol is a polyhydroxylated stilbene extract from the seeds of Euphorbia lagascae, which inhibits protein tyrosine kinase Syk and induces apoptosis. (NCI) Piceatannol is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Wine grape (part of); Robinia pseudoacacia whole (part of); Tsuga canadensis bark (part of). 3,3,45-Tetrahydroxystilbene (or Piceatannol) is a phenolic stilbenoid. It is a metabolite of resveratrol found in red wine. A viral protein-tyrosine kinase (LMP2A) implicated in leukemia, non-Hodgkins lymphoma and other diseases associated with Epstein-Barr virus, was recently found to be blocked by picetannol in vitro (PMID 2590224). Therefore there is research interest in piceatannol as an anti-cancer and anti-EBV drug. Piceatannol can also act as an agonist for estrogen receptor alpha in human breast cancer cells (PMID: 16216908). [HMDB] 3,3,45-Tetrahydroxystilbene (or Piceatannol) is a phenolic stilbenoid. It is a metabolite of resveratrol found in red wine. A viral protein-tyrosine kinase (LMP2A) implicated in leukemia, non-Hodgkins lymphoma and other diseases associated with Epstein-Barr virus, was recently found to be blocked by picetannol in vitro (PMID 2590224). Therefore there is research interest in piceatannol as an anti-cancer and anti-EBV drug. Piceatannol can also act as an agonist for estrogen receptor alpha in human breast cancer cells (PMID: 16216908). A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4]. Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4].
Gnetol
Gnetol is a natural product found in Gnetum edule, Gnetum hainanense, and other organisms with data available. Gnetol is a phenolic compound isolated from the root of Gnetum montanum . Gnetol potently inhibits COX-1 (IC50 of 0.78 μM) and HDAC. Gnetol is a potent tyrosinase inhibitor with an IC50 of 4.5 μM for murine tyrosinase and suppresses melanin biosynthesis. Gnetol has antioxidant, antiproliferative, anticancer and hepatoprotective activity. Gnetol also possesses concentration-dependent α-Amylase, α-glucosidase, and adipogenesis activities[1][2][3]. Gnetol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=86361-55-9 (retrieved 2024-12-11) (CAS RN: 86361-55-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
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].
Azacitidine
Azacitidine is only found in individuals that have used or taken this drug. It is a pyrimidine nucleoside analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent. [PubChem]Azacitidine (5-azacytidine) is a chemical analogue of the cytosine nucleoside used in DNA and RNA. Azacitidine is thought to induce antineoplastic activity via two mechanisms; inhibition of DNA methyltransferase at low doses, causing hypomethylation of DNA, and direct cytotoxicity in abnormal hematopoietic cells in the bone marrow through its incorporation into DNA and RNA at high doses, resulting in cell death. As azacitidine is a ribonucleoside, it incoporates into RNA to a larger extent than into DNA. The incorporation into RNA leads to the dissembly of polyribosomes, defective methylation and acceptor function of transfer RNA, and inhibition of the production of protein. Its incorporation into DNA leads to a covalent binding with DNA methyltransferases, which prevents DNA synthesis and subsequent cytotoxicity. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 5-Azacytidine (Azacitidine; 5-AzaC; Ladakamycin) is a nucleoside analogue of cytidine that specifically inhibits DNA methylation. 5-Azacytidine is incorporated into DNA to covalently trap DNA methyltransferases and contributes to reverse epigenetic changes[1][2]. 5-Azacytidine induces cell autophagy[4].
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
Dioxybenzone
C1892 - Chemopreventive Agent > C851 - Sunscreen Same as: D03853
Metiamide
Metiamide belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Metiamide (SK&F 92058) is a histamine H2-receptor antagonist developed from another H2 antagonist, burimamide.
(2E,11Z)-Wyerone acid
(2E,11Z)-Wyerone acid is found in pulses. (2E,11Z)-Wyerone acid is isolated from broad bean leaves (Vicia faba) infected with Botrytis specie Isolated from broad bean leaves (Vicia faba) infected with Botrytis subspecies (2E,11Z)-Wyerone acid is found in pulses.
Eriobofuran
Phytoalexin from the leaves of Eriobotrya japonica (loquat). Eriobofuran is found in loquat and fruits. Eriobofuran is found in fruits. Phytoalexin from the leaves of Eriobotrya japonica (loquat).
Oxyresveratrol
Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4]. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4].
Ribavirin
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 2860 Ribavirin (ICN-1229) is an antiviral agent against a broad spectrum of viruses including HCV, HIVl, and RSV. Ribavirin also has anti-orthopoxvirus and anti-variola activities.
Ribavirin
Ribavirin is only found in individuals that have used or taken this drug. It is a nucleoside antimetabolite antiviral agent that blocks nucleic acid synthesis and is used against both RNA and DNA viruses. [PubChem]Ribavirin is readily phosphorylated intracellularly by adenosine kinase to ribavirin mono-, di-, and triphosphate metabolites. Ribavirin triphosphate (RTP) is a potent competitive inhibitor of inosine monophosphate (IMP) dehydrogenase, viral RNA polymerase and messenger RNA (mRNA) guanylyltransferase (viral) and can be incorporated into RNA in RNA viral species. Guanylyltranserase inhibition stops the capping of mRNA. These diverse effects result in a marked reduction of intracellular guanosine triphosphate (GTP) pools and inhibition of viral RNA and protein synthesis. Ribavirin is also incorporated into the viral genome causing lethal mutagenesis and a subsequent decrease in specific viral infectivity. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Ribavirin (ICN-1229) is an antiviral agent against a broad spectrum of viruses including HCV, HIVl, and RSV. Ribavirin also has anti-orthopoxvirus and anti-variola activities.
Graveolone
Constituent of Anethum graveolens (dill). Graveolone is found in dill, herbs and spices, and parsley. Graveolone is found in herbs and spices. Graveolone is a constituent of Anethum graveolens (dill).
(R)-Apiumetin
(R)-Apiumetin is found in green vegetables. (R)-Apiumetin is a constituent of the seeds of Apium graveolens. Constituent of the seeds of Apium graveolens. (R)-Apiumetin is found in green vegetables.
(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)
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.
Suberenone
Suberenone is found in herbs and spices. Suberenone is a constituent of Ruta graveolens (rue)
9,10-Dihydro-2,3,5,7-Phenanthrenetetrol
9,10-Dihydro-2,3,5,7-Phenanthrenetetrol is found in root vegetables. 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol is isolated from Dioscorea bulbifera (air potato). Isolated from Dioscorea bulbifera (air potato). 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol is found in root vegetables.
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]
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.
1-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites
3'-DEOXY-3'-FLUOROTHYMIDINE
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
Amidephrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
arabinofuranosyl-5-azacytosine
4-Amino-1-(6-aminopurin-9-yl)pyrimidin-2-one
Piceatannol
Piceatannol, also known as (Z)-3,5,3,4-tetrahydroxystilbene, 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. Piceatannol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Piceatannol can be synthesized from cis-stilbene. Piceatannol can also be synthesized into cis-astringin. Piceatannol can be found in common grape and grape wine, which makes piceatannol a potential biomarker for the consumption of these food products. Piceatannol is a stilbenoid, a type of phenolic compound .
4-Hydroxydehydrokawain
6-[(e)-2-(4-Hydroxyphenyl)ethenyl]-4-methoxypyran-2-one is a natural product found in Alpinia blepharocalyx, Anaphalis sinica, and Alpinia roxburghii with data available.
Oxyresveratrol
Oxyresveratrol is a stilbenoid. Oxyresveratrol is a natural product found in Spirotropis longifolia, Melaleuca leucadendra, and other organisms with data available. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4]. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4].
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.
2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
5-Hydroxyseselin
5-Hydroxyseselin is a natural product found in Metrodorea flavida, Citrus sulcata, and Citrus tamurana with data available.
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.
Benzyl 2,5-dihydroxybenzoate
A benzoate ester resulting from the formal condensation of the carboxy group of 2,5-dihydroxybenzoic acid with the hydroxy group of phenylmethanol.
BENZO(1,2-b:5,4-b)DIFURAN-4,8-DIONE, 2,3-DIHYDRO-2-ISOPROPENYL-5-METHYL-, (-)-
5-Hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
(9R)-4-methoxy-9H-fluoren-2,5,9-triol|denchrysan B
(2-hydroxy-4-methoxyphenyl)(4-hydroxyphenyl)methanone
(Z)-form-9-Tetradecene-2,4,6-triynedioic acid,|cis-Tetradec-9-en-2,4,6-triindisaeure
1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone
3-Hydroxyxanthyletin
3-Hydroxyxanthyletin is a natural product found in Boronia algida with data available.
4-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-diol
(E)-3-(3,5-dihydroxystyryl)benzene-1,2-diol|smiglastilbene
Me ether-6-Acetyl-5-hydroxy-7-methyl-1,4-naphthoquinone
6-hydroxy-8-(prop-1-en-2-yl)-8,9-dihydro-2h-furo-[2,3-h]chromen-2-one
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
Eleutherol
Eleutherol is a naphthofuran. Eleutherol is a natural product found in Sisyrinchium palmifolium and Eleutherine bulbosa with data available. [Raw Data] CBA05_Eleutherol_neg_50eV000002.txt [Raw Data] CBA05_Eleutherol_neg_40eV000002.txt [Raw Data] CBA05_Eleutherol_neg_30eV000002.txt [Raw Data] CBA05_Eleutherol_neg_20eV000002.txt [Raw Data] CBA05_Eleutherol_neg_10eV000002.txt [Raw Data] CBA05_Eleutherol_pos_50eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_40eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_30eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_20eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_10eV_000002.txt
Biotin
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
8,8-Dimethyl-10H-pyrano[2,3-f]chromen-2,9-dione
8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Piceatannol
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4]. Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4].
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
Haematopodin
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
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
3-FLUOROMETHOXY-4,5-DIMETHOXY-BENZOIC ACID METHYL ESTER
4-((1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)OXY)-3-FLUOROANILINE
5-THIOPHEN-2-YL-1,2,3,4,5,6-HEXAHYDRO-[2,4]BIPYRIDINYL
5-HYDROXY-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
METHYL 6-FLUORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLATE
3-((3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY)BENZALDEHYDE
2-FLUORO-3,4,5-TRIMETHOXY-BENZOIC ACID METHYL ESTER
4-AMINO-2-(3-PYRIDINYL)-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER
Fazarabine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents
Pyrrolo[2,1-b]quinazoline-6-carboxylic acid, 1,2,3,9-tetrahydro-9-oxo-, hydrazide (9CI)
1-Methoxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Hexanediimidic acid,1,6-dimethyl ester, hydrochloride (1:2)
(E)-(1,2-difluoro-1,2-ethendiyl)-bis-[4-methylbenzene]
N1-Benzyloxycarbonyl-1,3-diaminopropane hydrochloride
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
(4-AMINO-PHENYL)-(3-METHYL-PIPERIDIN-1-YL)-METHANONE
2-(6-(Trifluoromethoxy)-1H-indol-3-yl)ethanamine hydrochloride
6-methyl-2-[2-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazinyl]-1H-pyrimidin-4-one
4-FLUOROMETHOXY-3,5-DIMETHOXY-BENZOIC ACID METHYL ESTER
7-Ethoxy-6-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
2-HYDROXY-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
4-HYDROXY-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
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].
2-(3-Hydroxy-n-propyl)-5-(trifluoromethyl)-benzimidazole
1-(3-FLUORO-4-METHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID
6-Ethoxy-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
7-(2-Methoxyethoxy)-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
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.
(1,3-Bis(methoxymethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
2-PROPEN-1-ONE, 1-(2,5-DIFLUOROPHENYL)-3-PHENYL-, (2E)-
(S)-1-(tert-Butoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
4-PHENYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE
3-(furan-2-ylmethyl)-7,8-dihydro-6H-chromene-2,5-dione
2-(BENZO[D][1,3]DIOXOLE-5-CARBONYL)-3-(DIMETHYLAMINO)ACRYLONITRILE
5-beta-D-Ribofuranosyl-1H-1,2,3-triazole-4-carboxamide
Methyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
Benzyl [(2R)-2-aminopropyl]carbamate hydrochloride (1:1)
2-[[(1-ETH-1-YNYLBUT-2-ENYL)OXY]CARBONYL]BENZOIC ACID
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one
5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE
5-AMINO-N-(2-HYDROXYETHYL)-2,3-DIMETHYLBENZENESULFONAMIDE
2-methyl-N-[(2-methyl-1-oxopyridin-1-ium-4-ylidene)amino]-1-oxidopyridin-4-imine
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
3-(1,3-Dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione
3,3-Difluorobenzaldazine
3,3'-Difluorobenzaldazine (DFB) is a selective positive allosteric modulator of mGluR5. 3,3'-Difluorobenzaldazine potentiates 3- to 6-fold action for mGlu5 agonists (Glutamate, Quisqualate, and 3,5-Dihydroxyphenylglycine), with EC50s in the 2 to 5 μM range[1].
7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
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.
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid
3-(5-Amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid
Azacitidine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 5-Azacytidine (Azacitidine; 5-AzaC; Ladakamycin) is a nucleoside analogue of cytidine that specifically inhibits DNA methylation. 5-Azacytidine is incorporated into DNA to covalently trap DNA methyltransferases and contributes to reverse epigenetic changes[1][2]. 5-Azacytidine induces cell autophagy[4].
dioxybenzone
C1892 - Chemopreventive Agent > C851 - Sunscreen Same as: D03853
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
Cudranin
Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4]. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4].
2-Prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]acetate
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylazanium
4-Hydroxy-3-methyl-5-[methyl(methylcarbamoyl)amino]-2-oxoimidazole-4-carboxylic acid
4-amino-1-[3,4-dihydroxy-5-(hydroxyamino)oxolan-2-yl]pyrimidin-2-one
3-Carbomethoxy-6-benzyl-4-pyrone
A natural product found in Aspeciesrgillus species.
Kavapyrone
A pyranone that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-phenyloxiran-2-yl group at position 6 (the 2R,3S stereoisomer). Isolated from Didymocarpus aurantiacus and Piper rusbyi, it exhibits antileishmanial activity.
4-Sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide
(3,3-Diethoxy-2-hydroxypropyl) dihydrogen phosphate
2-[2-Oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid
(2E)-2-(aminothioxomethyl)-3-(2,3,5,6-tetramethylphenyl)prop-2-enenitrile
3-Amino-8-methoxy-2-methyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one
1-Naphthalenecarboxylic acid, trimethylsilyl ester
1-(2-Amino-4-carboxybutanoyl)pyrrolidine-2-carboxylic acid
METIAMIDE
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Metiamide (SK&F 92058) is a histamine H2-receptor antagonist developed from another H2 antagonist, burimamide.
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites
Amidephrine
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).
5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid
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.
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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.
2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
5-[2-(2,6-dihydroxyphenyl)ethenyl]benzene-1,3-diol
methyl (1r,4as,5r,7s,7as)-1,5,7-trihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl acetate
(3s)-4-hydroxy-5-methoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one
(2s)-2-(prop-1-en-2-yl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
6-[(s)-hydroxy(phenyl)methyl]-4-oxo-1h-pyridine-3-carboximidic acid
(2s)-2-(4-ethoxy-4-oxobutyl)-3-methylidenebutanedioic acid
(1s,2s)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol
7-methoxy-8-[(1z)-3-oxobut-1-en-1-yl]chromen-2-one
(3s)-7-methoxy-3-(methoxycarbonyl)-2-methylidene-7-oxoheptanoic acid
2,4-dihydroxy-5-methoxybenzophenone
{"Ingredient_id": "HBIN004321","Ingredient_name": "2,4-dihydroxy-5-methoxybenzophenone","Alias": "2,4-dihydroxy-5-methoxy-benzo-phenone","Ingredient_formula": "C14H12O4","Ingredient_Smile": "COC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O","Ingredient_weight": "244.24 g/mol","OB_score": "67.20784963","CAS_id": "NA","SymMap_id": "SMIT05097","TCMID_id": "42071","TCMSP_id": "MOL002948","TCM_ID_id": "NA","PubChem_id": "85777815","DrugBank_id": "NA"}
4′-hydroxy-5,6-dehydrokawain
{"Ingredient_id": "HBIN010495","Ingredient_name": "4\u2032-hydroxy-5,6-dehydrokawain","Alias": "NA","Ingredient_formula": "C14H12O4","Ingredient_Smile": "COC1=CC(=O)OC(=C1)C=CC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9973","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
