LDR cpd
Linderane is a member of dioxanes. Linderane is a natural product found in Cryptocarya densiflora, Neolitsea villosa, and other organisms with data available. Linderane, isolated from the root of Lindera aggregata, is an irreversible inhibitor cytochrome P450 2C9 (CYP2C9). Linderane has the potential to relieve pain and cramp[1]. Linderane, isolated from the root of Lindera aggregata, is an irreversible inhibitor cytochrome P450 2C9 (CYP2C9). Linderane has the potential to relieve pain and cramp[1].
Cytosine
Cytosine, also known as C, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Cytosine is also classified as a pyrimidine derivative, with a heterocyclic aromatic ring and two substituents attached (an amine group at position 4 and a keto group at position 2). Cytosine is one of the four main bases found in DNA and RNA, along with adenine, guanine, and thymine (uracil in RNA). The nucleoside of cytosine is cytidine. In Watson-Crick base pairing, cytosine forms three hydrogen bonds with guanine. Cytosine was discovered and named by Albrecht Kossel and Albert Neumann in 1894 when it was hydrolyzed from calf thymus tissues. Cytosine exists in all living species, ranging from bacteria to plants to humans. Within cells, cytosine can undergo several enzymatic reactions. It can be methylated into 5-methylcytosine by an enzyme called DNA methyltransferase (DNMT) or be methylated and hydroxylated to make 5-hydroxymethylcytosine. The DNA methyltransferase (DNMT) family of enzymes transfer a methyl group from S-adenosyl-l-methionine (SAM) to the 5’ carbon of cytosine in a molecule of DNA. High levels of cytosine can be found in the urine of individuals with severe combined immunodeficiency syndrome (SCID). Cytosine concentrations as high as (23-160 mmol/mol creatinine) were detected in SCID patients compared to normal levels of <2 mmol/mol creatinine (PMID: 262183). Cytosine is an aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a pyrimidine nucleobase, a pyrimidone and an aminopyrimidine. Cytosine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Cytosine is a natural product found in Streptomyces antibioticus, Salmonella enterica, and other organisms with data available. Cytosine is a pyrimidine base found in DNA and RNA that pairs with guanine. Cytosine is a metabolite found in or produced by Saccharomyces cerevisiae. A pyrimidine base that is a fundamental unit of nucleic acids. See also: Pyrimidine (related). A pyrimidine base that is a fundamental unit of nucleic acids. The deamination of cytosine alone is apparent and the nucleotide of cytosine is the prime mutagenic nucleotide in leukaemia and cancer. [HMDB]. Cytosine is found in many foods, some of which are beech nut, turmeric, grass pea, and cucurbita (gourd). An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. Cytosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=71-30-7 (retrieved 2024-07-01) (CAS RN: 71-30-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2]. Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2]. Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2].
Picrotoxinin
Picrotoxinin belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Picrotoxinin is soluble (in water) and a very weakly acidic compound (based on its pKa). D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Picrotoxinin is a picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has a role as a plant metabolite, a GABA antagonist and a serotonergic antagonist. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone and a picrotoxane sesquiterpenoid. Picrotoxinin is a natural product found in Picrodendron baccatum and Anamirta cocculus with data available. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
Angustifoline
Angustifoline is a member of quinolizidines and a cyclic ketone. 4-(Prop-2-en-1-yl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one is a natural product found in Haplophyllum thesioides, Lupinus hintonii, and other organisms with data available. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 54 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 18 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 33 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 40 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 25 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 10 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 3
Uracil
Uracil, also known as U, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Uracil is a common naturally occurring pyrimidine found in RNA. It base pairs with adenine and is replaced by thymine in DNA. Uracil is one of the four nucleobases in RNA that are represented by the letters A, G, C and U. Methylation of uracil produces thymine. The name "uracil" was coined in 1885 by the German chemist Robert Behrend, who was attempting to synthesize derivatives of uric acid. Originally discovered in 1900, uracil was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. Uracil exists in all living species, ranging from bacteria to plants to humans. Uracils use in the body is to help carry out the synthesis of many enzymes necessary for cell function through bonding with riboses and phosphates. Uracil serves as an allosteric regulator and a coenzyme for many important biochemical reactions. Uracil (via the nucleoside uridine) can be phosphorylated by various kinases to produce UMP, UDP and UTP. UDP and UTP regulate carbamoyl phosphate synthetase II (CPSase II) activity in animals. Uracil is also involved in the biosynthesis of polysaccharides and in the transport of sugars containing aldehydes. Within humans, uracil participates in a number of enzymatic reactions. In particular, uracil and ribose 1-phosphate can be biosynthesized from uridine; which is mediated by the enzyme uridine phosphorylase 2. In addition, uracil can be converted into dihydrouracil through the action of the enzyme dihydropyrimidine dehydrogenase [NADP(+)]. Uracil is rarely found in DNA, and this may have been an evolutionary change to increase genetic stability. This is because cytosine can deaminate spontaneously to produce uracil through hydrolytic deamination. Therefore, if there were an organism that used uracil in its DNA, the deamination of cytosine (which undergoes base pairing with guanine) would lead to formation of uracil (which would base pair with adenine) during DNA synthesis. Uracil can be used for drug delivery and as a pharmaceutical. When elemental fluorine reacts with uracil, it produces 5-fluorouracil. 5-Fluorouracil is an anticancer drug (antimetabolite) that mimics uracil during the nucleic acid (i.e. RNA) synthesis and transcription process. Because 5-fluorouracil is similar in shape to, but does not undergo the same chemistry as, uracil, the drug inhibits RNA replication enzymes, thereby blocking RNA synthesis and stopping the growth of cancerous cells. Uracil is a common and naturally occurring pyrimidine derivative. Originally discovered in 1900, it was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. It is a planar, unsaturated compound that has the ability to absorb light. Uracil. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=66-22-8 (retrieved 2024-07-01) (CAS RN: 66-22-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
Saccharin
Saccharin, ammonium salt is used as a food additive [EAFUS] (EAFUS: Everything Added to Food in the United States). Saccharin belongs to the family of aromatic homomonocyclic compounds. These are aromatic compounds containing only one ring, which is homocyclic. Widely-used sweetening agent. All salts intensely sweet. Permitted in foods at levels of 80-1200 ppm in EU D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; INTERNAL_ID 8670 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Butabarbital
Butabarbital (trade name Butisol) is a prescription barbiturate sleep aid. Butabarbital has a particularly fast onset of effects and short duration of action compared to other barbiturates, which makes it useful for certain applications such as treating severe insomnia and relieving anxiety before surgical procedures; however it is also relatively dangerous particularly when combined with alcohol, and so is now rarely used, although it is still prescribed in some Eastern European and South American countries. Its short duration of action gives butabarbital a high abuse potential, comparable to secobarbital. [Wikipedia] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Ethylene thiourea
CONFIDENCE standard compound; EAWAG_UCHEM_ID 271 CONFIDENCE standard compound; INTERNAL_ID 8704
N-VINYL-2-PYRROLIDONE
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D001697 - Biomedical and Dental Materials > D001672 - Biocompatible Materials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pyridine
Pyridine is a clear liquid with an odor that is sour, putrid, and fish-like. It is a relatively simple heterocyclic aromatic organic compound that is structurally related to benzene, with one CH group in the six-membered ring replaced by a nitrogen atom. Pyridine is obtained from crude coal tar or is synthesized from acetaldehyde, formaldehyde and ammonia. Pyridine is often used as a denaturant for antifreeze mixtures, for ethyl alcohol, for fungicides, and as a dyeing aid for textiles. It is a harmful substance if inhaled, ingested or absorbed through the skin. In particular, it is known to reduce male fertility and is considered carcinogenic. Common symptoms of acute exposure to pyridine include: headache, coughing, asthmatic breathing, laryngitis, nausea and vomiting. -- Wikipedia. Flavouring ingredient. Pyridine is found in many foods, some of which are kohlrabi, red bell pepper, green bell pepper, and papaya. CONFIDENCE standard compound; INTERNAL_ID 8135 KEIO_ID P041
Piperidine
Piperidine (Azinane after the Hantzsch Widman nomenclature) is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene units and one nitrogen atom. It is a colorless fuming liquid with an odor described as ammoniacal, pepper-like; the name comes from the genus name Piper, which is the Latin word for pepper. Piperidine is found in barley, black pepper (Piper nigrum). Piperidine has been found to be a microbial metabolite. Piperidine is a flavouring agent and it is also widely used as a building block and chemical reagent in the synthesis of organic compounds, including pharmaceuticals. Piperidine is a widely used secondary amine. It is used to convert ketones to enamines. Enamines derived from piperidine can be used in the Stork enamine alkylation reaction. Piperidine is used as a solvent and as a base. The same is true for certain derivatives: N-formylpiperidine is a polar aprotic solvent with better hydrocarbon solubility than other amide solvents, and 2,2,6,6-tetramethylpiperidine is highly sterically hindered base, useful because of its low nucleophilicity and high solubility in organic solvents. Acquisition and generation of the data is financially supported in part by CREST/JST. D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers Present in black pepper (Piper nigrum). Flavouring agent D000077264 - Calcium-Regulating Hormones and Agents CONFIDENCE standard compound; INTERNAL_ID 8371 D049990 - Membrane Transport Modulators KEIO_ID P034
1,2-Epoxy-p-menth-8-ene
1,2-epoxy-p-menth-8-ene, also known as limonene-1,2-epoxide or 1,2-epoxylimonene, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 1,2-epoxy-p-menth-8-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-epoxy-p-menth-8-ene is a green tasting compound found in lemon and wild celery, which makes 1,2-epoxy-p-menth-8-ene a potential biomarker for the consumption of these food products. 1,2-Epoxy-p-menth-8-ene is found in citrus. 1,2-Epoxy-p-menth-8-ene is isolated from oil of Cymbopogon species, orange (Citrus sinensis), Japanese pepper tree (Zanthoxylum piperitum) and other
Thiamylal
Thiamylal is only found in individuals that have used or taken this drug. It is a barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)Thiamylal 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 C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(+/-)-2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propionaldehyde
Fliederaldehyde is found in tea. Fliederaldehyde is isolated from bergamot oil. Isolated from bergamot oil. Fliederaldehyde is found in tea.
Furan
Furan is a member of the class of compounds known as furans. These are molecules containing a heterocyclic organic group consisting of a five-membered aromatic ring with four carbon atoms and one oxygen. Furan is aromatic because one of the lone pairs of electrons on the oxygen atom is delocalized into the ring, creating a 4n+2 aromatic system similar to benzene. Because of the aromaticity, furan is flat and lacks discrete double bonds. Furan is a colourless, flammable, highly volatile liquid with a boiling point close to room temperature (31 °C). It is soluble in common organic solvents, including alcohol, ether, and acetone, but is insoluble in water. It has a strong ethereal odour. Furan is found in heat-treated (e.g. cooked, roasted, baked, pasteurized, and sterilized) commercial foods and is produced through thermal degradation of natural food constituents (PMID:22641279). It can be found in roasted coffee, instant coffee, and processed baby foods (PMID:22641279). In particular, the highest furan levels can be detected in coffee, with mean values between 42 and 3 660 ng/g for brewed coffee and roasted coffee beans. Furan can also be detected at levels between 0.2 and 3.2 ng/g in infant formula, from 22 to 24 ng/g in baked beans, from 13 to 17 ng/g in meat products, and from 23 to 24 ng/g in soups. In soy sauce, furan is detectable at 27 ng/g (PMID:26483883). Research has indicated that coffee made in espresso makers and, above all, coffee made from capsules, contains more furan than that made in traditional drip coffee makers, although the levels are still within safe health limits. Various pathways have been reported for the formation of furan: (1) thermal degradation and/or thermal rearrangement of carbohydrates in the presence of amino acids, (2) thermal degradation of certain amino acids (aspartic acid, threonine, alpha-alanine, serine, and cysteine), (3) oxidation of ascorbic acid at higher temperatures, and (4) oxidation of polyunsaturated fatty acids and carotenoids (PMID:26483883). Several studies have reported that furan formation occurs to a large extent during the Maillard reaction. The Maillard reaction involves the thermal degradation and rearrangement of carbohydrates (i.e. non-enzymatic browning reactions during food processing and cooking). Reducing hexoses often go through the Maillard reaction in the presence of amino acids and produce reactive intermediates such as 1-deoxy- and 3-deoxyosones, aldotetrose, and 2-deoxy-3-keto-aldotetrose. 2-Deoxy-3-keto-aldotetrose typically goes through retro-aldol cleavage leading to 3-deoxyosone which undergoes alpha-dicarbonyl cleavage, followed by oxidation and decarboxylation to form 2-deoxyaldotetrose, which is a direct precursor of furan. In addition to the formation of furan via carbohydrate degradation, furan can also be formed through thermal degradation of certain amino acids. Specifically, the amino acids that can form acetaldehyde and glycolaldehyde can produce furan by aldol condensation and cyclization (PMID:26483883). Furan is toxic and may be carcinogenic. In particular, furan is a potent hepatotoxin and hepatocarcinogen in rodents, causing hepatocellular adenomas and carcinomas in rats and mice, and high incidences of cholangiocarcinomas in rats at doses ≥ 2 mg/kg (PMID:22641279).
4-Vinylcyclohexene dioxide
D009676 - Noxae > D002273 - Carcinogens
3,4-Methylenedioxybenzoic acid
Piperonylic acid is a member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a carboxy group at position 5. It is a natural product isolated from several plant species. It is a selective mechanism-based inactivator of the trans-cinnamate 4-hydroxylase enzyme and exhibits antifungal and skin wound healing properties. It has a role as a plant metabolite, an EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor, a vulnerary and an antifungal agent. It is a member of benzodioxoles, a monocarboxylic acid and an aromatic carboxylic acid. It is a conjugate acid of a piperonylate. Piperonylic acid is a natural product found in Nectandra amazonum, Pongamia pinnata var. pinnata, and other organisms with data available. A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a carboxy group at position 5. It is a natural product isolated from several plant species. It is a selective mechanism-based inactivator of the trans-cinnamate 4-hydroxylase enzyme and exhibits antifungal and skin wound healing properties. 3,4-Methylenedioxybenzoic acid is found in herbs and spices. 3,4-Methylenedioxybenzoic acid is isolated from Piper longum (long pepper COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1]. Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1].
Pipercide
Alkaloid from the aerial parts of Piper retrofractum (Javanese long pepper) and the fruits of Piper nigrum (pepper). Pipercide is found in herbs and spices and pepper (spice). Pipercide is found in herbs and spices. Pipercide is an alkaloid from the aerial parts of Piper retrofractum (Javanese long pepper) and the fruits of Piper nigrum (pepper). Pipercide is a member of benzodioxoles. Pipercide is a natural product found in Piper mullesua, Piper retrofractum, and other organisms with data available.
Phthalide
2-benzofuran-1(3H)-one is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans. Phthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and Ligusticum chuanxiong with data available. Phthalide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive . Phthalide is a promising chemical scaffold with a potent anti-inflammatory efficacy. Phthalide can be used to synthesize a variety of phthalide derivatives including anti-inflammatory agent, antimicrobial, antioxidant[1][2][3]. Phthalide is a promising chemical scaffold with a potent anti-inflammatory efficacy. Phthalide can be used to synthesize a variety of phthalide derivatives including anti-inflammatory agent, antimicrobial, antioxidant[1][2][3].
Butalbital
Butalbital, 5-allyl-5-isobutylbarbituric acid, is a barbiturate with an intermediate duration of action. It has the same chemical formula as talbutal but a different structure. Butalbital is often combined with other medications, such as acetaminophen or aspirin, and is commonly prescribed for the treatment of pain and headache. [Wikipedia] C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Anileridine
Anileridine is a synthetic opioid and strong analgesic medication. It is a narcotic pain reliever used to treat moderate to severe pain. Narcotic analgesics act in the central nervous system (CNS) to relieve pain. Some of their side effects are also caused by actions in the CNS. N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AH - Opioid anesthetics C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Pyrrolidine
Pyrrolidine is found in alcoholic beverages. Pyrrolidine is widely distributed in foodstuffs in trace amts., presumably as bacterial decarboxylation produced of proline. Pyrrolidine is present in bread, milk, cheese, carrots, celery stalks, beer, spirits, coffee, caviar and fatty fish. Pyrrolidine is a flavouring agent.Pyrrolidine is a clear liquid with an unpleasant odor that is ammoniacal, fishy, shellfish-like and seaweed-like. Pyrrolidine is found naturally in the leaves of tobacco and carrot. The pyrrolidine ring structure is present in numerous natural alkaloids such as nicotine and hygrine. It is found in many pharmaceutical drugs such as procyclidine and bepridil. It also forms the basis for the racetam compounds (e.g. piracetam, aniracetam). Pyrrolidine is a pyrrolidine ring is the central structure of the amino acids proline and hydroxyproline. (Wikipedia) Pyrrolidine has been found to be a metabolite in Xenorhabdus (PMID: 19598185). Prolamins are a group of plant storage proteins having a high proline content and found in the seeds of cereal grains: wheat (gliadin), barley (hordein), rye (secalin), corn (zein) and as a minor protein, avenin in oats. They are characterised by a high glutamine and proline content and are generally soluble only in strong alcohol solutions. Some prolamins, notably gliadin, and similar proteins found in the tribe Triticeae (see Triticeae glutens) may induce coeliac disease in genetically predisposed individuals.
Pyrazine
Pyrazine is found in fenugreek. Pyrazine is a maillard product In the Staedel-Rugheimer pyrazine synthesis (1876) 2-chloroacetophenone is reacted with ammonia to the amino ketone, then condensed and then oxidized to a pyrazine A variation is the Gutknecht Pyrazine Synthesis (1879) also based on this selfcondensation but differing in the way the alpha-ketoamine is synthesised (the chlorine compound in the above method is a lachrymatory agent); Pyrazine is a heterocyclic aromatic organic compound. Pyrazine is a symmetrical molecule with point group D2h. It is found in folic acid in the form of pterin. Derivatives like Phenazine are well known for their antitumor, antibiotic and diuretic activity. Pyrazine is less basic in nature than pyridine, pyridazine and pyrimidine. Tetramethylpyrazine (also known as ligustrazine) is reported to scavenge superoxide anion and decrease nitric oxide production in human polymorphonuclear leukocytes. Tetramethylpyrazine is also a component of some herbs in Traditional Chinese Medicine. Maillard product
Ocimen quintoxide
Ocimen quintoxide is found in citrus. Ocimen quintoxide is a flavouring ingredient. Ocimen quintoxide is present in lime oil (Citrus aurantifolia). Ocimen quintoxide is a flavouring ingredient. It is found in lime oil (Citrus aurantifolia).
2-(2-Furanyl)-3-methyl-2-butenal
2-(2-Furanyl)-3-methyl-2-butenal is a constituent of the oil of Papaver somniferum (opium poppy). Constituent of the oil of Papaver somniferum (opium poppy)
Avocadynofuran
Avocadynofuran is found in avocado. Avocadynofuran is a constituent of Persea americana (avocado) Constituent of Persea americana (avocado). Avocadynofuran is found in avocado and fruits.
3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin
3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin is found in alcoholic beverages. 3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin is a constituent of hops
Humulene epoxide I
Humulene epoxide I is found in alcoholic beverages. Humulene epoxide I is a constituent of hops and wild ginger (Zingiber zerumbet).
Linaloyl oxide
Linaloyl oxide is found in alcoholic beverages. Linaloyl oxide is a flavouring and fragrence ingredient. Linaloyl oxide is present in roselle tea, muscat grapes, lime oil, alfalfa, Riesling wine, grapefruit, yellow passion fruit, apricot, blackberry, blueberry, nectarine, cherimoya, papaya and curuba fruits. Dehydroxylinalool 3,7-oxide is a flavouring and fragrence ingredient. It is found in roselle tea, muscat grapes, lime oil, alfalfa, riesling wine, grapefruit, yellow passion fruit, apricot, blackberry, blueberry, nectarine, cherimoya, papaya and curuba fruits.
(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is found in herbs and spices. (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is a flavouring ingredient. (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is present in peppermint oil and various types of tea. (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is a flavouring ingredient. It is found in peppermint oil and various types of tea, herbs and spices.
3-(3,4-Methylenedioxyphenyl)propenal
3-(3,4-Methylenedioxyphenyl)propenal is found in herbs and spices. 3-(3,4-Methylenedioxyphenyl)propenal is isolated from Sassafras albidum (sassafras). Isolated from Sassafras albidum (sassafras). 3-(3,4-Methylenedioxyphenyl)propenal is found in tea and herbs and spices.
2-Vinyl-4H-1,3-dithiine
Present in garlic (Allium sativum) and caucas (Allium victorialis) but not in onion or rakkyo. 2-Vinyl-4H-1,3-dithiine is found in garlic, soft-necked garlic, and onion-family vegetables. 2-Vinyl-4H-1,3-dithiine is found in onion-family vegetables. 2-Vinyl-4H-1,3-dithiine is present in garlic (Allium sativum) and caucas (Allium victorialis) but not in onion or rakky
3-(4-Methyl-3-pentenyl)thiophene
3-(4-Methyl-3-pentenyl)thiophene is found in alcoholic beverages. 3-(4-Methyl-3-pentenyl)thiophene is a constituent of hops. Constituent of hops. 3-(4-Methyl-3-pentenyl)thiophene is found in alcoholic beverages.
Linalool oxide (trans-pyranoid)
Linalool oxide (trans-pyranoid) is found in tea. This is the trans form of pyranoid linalool oxide, also called Linalool oxide C or Linalool oxide IV; there are 2 possible stereo-isomers
2-Methyl-5-vinylpyrazine
Aroma constituent of raw or cooked asparagus, baked or chipped potato, wheat bread, fried chicken, pork liver, cooked beef, cocoa, roasted coffee, roasted filbert, roasted peanut, popcorn, sukiyaki and roasted sesame seed oil. 2-Methyl-5-vinylpyrazine is found in many foods, some of which are cocoa and cocoa products, animal foods, potato, and coffee and coffee products. 2-Methyl-5-vinylpyrazine is found in animal foods. Aroma constituent of raw or cooked asparagus, baked or chipped potato, wheat bread, fried chicken, pork liver, cooked beef, cocoa, roasted coffee, roasted filbert, roasted peanut, popcorn, sukiyaki and roasted sesame seed oil.
Avocadenofuran
Avocadenofuran is found in avocado. Avocadenofuran is a constituent of avocado Constituent of avocado. Avocadenofuran is found in avocado and fruits.
Humulene epoxide II
Constituent of hops and wild ginger (Zingiber zerumbet). Humulene epoxide II is found in many foods, some of which are alcoholic beverages, rosemary, allspice, and ginger. Humulene epoxide II is found in alcoholic beverages. Humulene epoxide II is a constituent of hops and wild ginger (Zingiber zerumbet).
Dehydro-1,8-cineole
Dehydro-1,8-cineole is found in herbs and spices. Dehydro-1,8-cineole is isolated from Laurus nobilis (bay laurel) oi Isolated from Laurus nobilis (bay laurel) oil. Dehydro-1,8-cineole is found in tea, sweet bay, and herbs and spices.
Thiophene
Thiophene is a maillard product. At room temperature, thiophene is a colorless liquid with a mildly pleasant odor reminiscent of benzene, with which thiophene shares some similarities. The high reactivity of thiophene toward sulfonation is the basis for the separation of thiophene from benzene, which are difficult to separate by distillation due to their similar boiling points (4 °C difference at ambient pressure). Like benzene, thiophene forms an azeotrope with water. Not only is thiophene reactive toward electrophiles, it is also readily lithiated with butyl lithium to give 2-lithiothiophene, which is a precursor to a variety of derivatives, including dithienyl Maillard product
4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone
4-methyl-4-vinyl-gamma-butyrolactone is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. 4-methyl-4-vinyl-gamma-butyrolactone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-methyl-4-vinyl-gamma-butyrolactone has a fruity and minty taste. 4-methyl-4-vinyl-gamma-butyrolactone exists in all eukaryotes, ranging from yeast to humans. 4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Trimethadione
Trimethadione is only found in individuals that have used or taken this drug. It is an anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378)Trimethadione reduces T-type calcium currents in thalamic neurons, including thalamic relay neurons. It does so via the inhibition of voltage dependent T-type calcium channels. This raises the threshold for repetitive activity in the thalamus, and inhibits corticothalamic transmission. Thus, the abnormal thalamocortical rhythmicity, which is thought to underlie the 3-Hz spike-and-wave discharge seen on electroencephalogram(EEG) with absence seizures, is dampened. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AC - Oxazolidine derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Linalool oxide III
Linalool oxide III is found in tea. This is the cis form of pyranoid linalool oxide, also called Linalool oxide D or Linalool oxide III; there are 2 possible stereo-isomers Synthetic [CCD]
4-Methyl-5-vinylthiazole
4-Methyl-5-vinylthiazole is found in alcoholic beverages. Meat flavouring ingredient. 4-Methyl-5-vinylthiazole is found in grape wine distillate, garlic, cooked pork, cocoa, roasted filbert and yellow passion frui Meat flavouring ingredient. Found in grape wine distillate, garlic, cooked pork, cocoa, roasted filbert and yellow passion fruit
(Z)-4-Hydroxy-6-dodecenoic acid lactone
(Z)-4-Hydroxy-6-dodecenoic acid lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-(2-Furanyl)-2-propenal
3-(2-Furanyl)-2-propenal is found in alcoholic beverages. 3-(2-Furanyl)-2-propenal is present in rum and coffee. 3-(2-Furanyl)-2-propenal is a flavouring ingredient. Present in rum and coffee. Flavouring ingredient. 3-(2-Furanyl)-2-propenal is found in alcoholic beverages and coffee and coffee products.
(1-Methylethenyl)pyrazine
(1-Methylethenyl)pyrazine is found in animal foods. (1-Methylethenyl)pyrazine is a flavouring ingredient. (1-Methylethenyl)pyrazine is present in roasted sesame seed, roasted coffee beans, roasted peanut, Oolong tea, cooked beef, fried chicken, roasted cocoa beans, tortilla chips and fermented soybeans. (1-Methylethenyl)pyrazine is a maillard product. (1-Methylethenyl)pyrazine is a Maillard product and can be used as flavouring ingredient. It is found in roasted sesame seed, roasted coffee beans, roasted peanut, oolong tea, cooked beef, fried chicken, roasted cocoa beans, tortilla chips and fermented soybeans.
alpha-Methyl-2-furanacrolein
alpha-Methyl-2-furanacrolein is found in fats and oils. alpha-Methyl-2-furanacrolein is a flavouring ingredient. alpha-Methyl-2-furanacrolein is a constituent of roasted sesame seed oil. Flavouring ingredient. Constituent of roasted sesame seed oil. alpha-Methyl-2-furanacrolein is found in fats and oils.
2-Methyl-6-(1-propenyl)pyrazine
Constituent of okra pods, coffee, roasted sesame, roasted green tea and cooked beef. 2-Methyl-6-(1-propenyl)pyrazine is found in many foods, some of which are coffee and coffee products, cereals and cereal products, tea, and animal foods. 2-Methyl-6-(1-propenyl)pyrazine is found in animal foods. 2-Methyl-6-(1-propenyl)pyrazine is a constituent of okra pods, coffee, roasted sesame, roasted green tea and cooked beef.
2-Methyl-6-(2-propenyl)pyrazine
Tentatively identified in white bread crust aroma. Possesses an earthy odour. 2-Methyl-6-(2-propenyl)pyrazine is found in cereals and cereal products. 2-Methyl-6-(2-propenyl)pyrazine is found in cereals and cereal products. Tentatively identified in white bread crust aroma. Possesses an earthy odour.
2-Methyl-5-(1-propenyl)pyrazine
Maillard product. Constituent of okra pods, roasted green tea, roast peanut, coffee and cooked beef. 2-Methyl-5-(1-propenyl)pyrazine is found in many foods, some of which are animal foods, coffee and coffee products, green vegetables, and nuts. 2-Methyl-5-(1-propenyl)pyrazine is found in animal foods. 2-Methyl-5-(1-propenyl)pyrazine is a maillard product. 2-Methyl-5-(1-propenyl)pyrazine is a constituent of okra pods, roasted green tea, roast peanut, coffee and cooked beef.
(±)-cis-Linalyl oxide
This is the cis form of furanoid linalool oxide, also called Linalool oxide B or Linalool oxide I; there are 2 possible stereo-isomers. cis-Linalool 3,6-oxide is found in many foods, some of which are tea, sweet basil, common oregano, and coriander. (±)-cis-Linalyl oxide is found in black elderberry. This is the cis form of furanoid linalool oxide, also called Linalool oxide B or Linalool oxide I; there are 2 possible stereo-isomers.
(±)-trans-Linalyl oxide
This is the trans form of furanoid linalool oxide, also called Linalool oxide A or Linalool oxide II; there are 2 possible stereo-isomers. trans-Linalool 3,6-oxide is found in many foods, some of which are sweet basil, black elderberry, papaya, and ginger. (±)-trans-Linalyl oxide is found in black elderberry. This is the trans form of furanoid linalool oxide, also called Linalool oxide A or Linalool oxide II; there are 2 possible stereo-isomers.
4-(3,4-Methylenedioxyphenyl)-2-butanone
4-(3,4-Methylenedioxyphenyl)-2-butanone is used in food flavouring. It is used in food flavouring
Bis(2-furanylmethyl) sulfide
Bis(2-furanylmethyl) sulfide is found in coffee and coffee products. Bis(2-furanylmethyl) sulfide is present in coffee. Bis(2-furanylmethyl) sulfide is a flavouring ingredient. Present in coffee. Flavouring ingredient. Bis(2-furanylmethyl) sulfide is found in coffee and coffee products.
4-Vinylpyridine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Barbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Benzetimide
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Nimorazole
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Taurolidine
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents C254 - Anti-Infective Agent
cis-Limonene-1,2-oxide
(4r)-limonene 1alpha,2alpha-epoxide, also known as 1beta,2beta-epoxy-4betah-P-menth-8-ene, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (4r)-limonene 1alpha,2alpha-epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (4r)-limonene 1alpha,2alpha-epoxide is a citrus and fresh tasting compound found in lemon and wild celery, which makes (4r)-limonene 1alpha,2alpha-epoxide a potential biomarker for the consumption of these food products. (4r)-limonene 1α,2α-epoxide, also known as 1beta,2beta-epoxy-4betah-P-menth-8-ene, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (4r)-limonene 1α,2α-epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (4r)-limonene 1α,2α-epoxide is a citrus and fresh tasting compound found in lemon and wild celery, which makes (4r)-limonene 1α,2α-epoxide a potential biomarker for the consumption of these food products.
Vinylpyrazine
Vinylpyrazine is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Vinylpyrazine is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Vinylpyrazine is a nutty tasting compound found in kohlrabi, which makes vinylpyrazine a potential biomarker for the consumption of this food product.
Perillene
Perillene is a monoterpenoid that is furan in which the hydrogen at position 3 is replaced by a 4-methylpent-3-en-1-yl group. A defensive allomone of thrips that has a flowery, citrus-like flavour. It has a role as a semiochemical, a metabolite and a fragrance. It is a member of furans and a monoterpenoid. Perillene is a natural product found in Curcuma amada, Origanum sipyleum, and other organisms with data available. A monoterpenoid that is furan in which the hydrogen at position 3 is replaced by a 4-methylpent-3-en-1-yl group. A defensive allomone of thrips that has a flowery, citrus-like flavour. Perillene, also known as 3-(4-methyl-3-pentenyl)furan, is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Perillene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Perillene is a woody tasting compound found in common oregano and ginger, which makes perillene a potential biomarker for the consumption of these food products. Perillene is a natural monoterpene that consists of a furan ring with a six-carbon homoprenyl side chain. Perillene is a component of the essential oil obtained by extraction of the leaves of Perilla frutescens. Perillene has also been obtained by steam distillation of the leaves of Perilla frutescens. Perillene has been found to elicit distinct electrophysiological responses in the antennae of the apple blossom weevil. It has been suggested that perillene is one several terpene hydrocarbons in the emanation bouquet of apple tree buds which may be used by adult weevils as chemical cues to discrimination during host-searching behavior .
Vinylbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
ANILERIDINE
N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AH - Opioid anesthetics C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Picrotoxinin
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists relative retention time with respect to 9-anthracene Carboxylic Acid is 0.577 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.570 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.573 Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
Cytosine
(2S)-2-{[(2S)-2-{[(2R)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-selanylpropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-4-methylpentanoic acid is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds (2S)-2-{[(2S)-2-{[(2R)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-selanylpropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-4-methylpentanoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OPTASPLRGRRNAP_STSL_0157_Cytosine_0125fmol_180430_S2_LC02_MS02_96; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2]. Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2]. Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2].
Uracil
A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ISAKRJDGNUQOIC_STSL_0177_Uracil_8000fmol_180430_S2_LC02_MS02_198; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
Piperidine
An azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen. It is a metabolite of cadaverine, a polyamine found in the human intestine. D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
butabarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
butalbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Piperonylic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1]. Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1].
Butalamine
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
PYRROLIDINE
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RWRDLPDLKQPQOW-UHFFFAOYSA-N_STSL_0187_Pyrrolidine_2000fmol_180831_S2_L02M02_76; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Triallyl cyanurate
CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9255; ORIGINAL_PRECURSOR_SCAN_NO 9253 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9282; ORIGINAL_PRECURSOR_SCAN_NO 9280 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9291 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9316 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9326; ORIGINAL_PRECURSOR_SCAN_NO 9324
Trimethadione
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AC - Oxazolidine derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
4-(4-Methyl-3-pentenyl)-1,2-dithia-4-cyclohexene
laevo-rose oxide
Flavouring compound [Flavornet]
Nifuratel
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C514 - Antifungal Agent
2-thioxo-3-allyl-2-4-oxo-5-(n-methyl-pyrid-2-yliden)-1,3-thiazoldine
Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate
1H-Benzimidazole,1-(1,2-dimethyl-2-propenyl)-(9CI)
trans-5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
1(3H)-Isobenzofuranone, 4-methoxy-5-methyl-6-((3-methyl-2-butenyl)oxy)-
Nimorazole
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
benzetimide
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Taurolidine
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents C254 - Anti-Infective Agent
FR-1276
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1]. Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1].
Pirod
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
Zytosin
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2]. Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2]. Cytosine is one of the four main bases found in DNA and RNA. Cytosine modifications exhibit circadian oscillations that are involved in epigenetic diversity and aging[1][2].
Phthalide
Phthalide is a promising chemical scaffold with a potent anti-inflammatory efficacy. Phthalide can be used to synthesize a variety of phthalide derivatives including anti-inflammatory agent, antimicrobial, antioxidant[1][2][3]. Phthalide is a promising chemical scaffold with a potent anti-inflammatory efficacy. Phthalide can be used to synthesize a variety of phthalide derivatives including anti-inflammatory agent, antimicrobial, antioxidant[1][2][3].
cis-Linalol-oxide
6,7-epoxylinalool is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 6,7-epoxylinalool is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6,7-epoxylinalool can be found in papaya, which makes 6,7-epoxylinalool a potential biomarker for the consumption of this food product.
(+)-limonene oxide
Isolated from oil of Cymbopogon subspecies, orange (Citrus sinensis), Japanese pepper tree (Zanthoxylum piperitum) and others. 1,2-Epoxy-p-menth-8-ene is found in spearmint, citrus, and herbs and spices.
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
Picrotoxinin
Picrotoxinin is a picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has a role as a plant metabolite, a GABA antagonist and a serotonergic antagonist. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone and a picrotoxane sesquiterpenoid. Picrotoxinin is a natural product found in Picrodendron baccatum and Anamirta cocculus with data available. A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
N-VINYL-2-PYRROLIDONE
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D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Ethanone, 1-[6-hydroxy-2-(1-methylethenyl)-7-benzofuranyl]-
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cis-5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
(0)
Thiophene-2-carboxylic acid (3-phenyl-allylidene)-hydrazide
(0)
Spiro[oxirane-2,1'(2'H)-pentalene], 3',4',5',6'-tetrahydro-
(0)
Spiro[benzofuran-2(3H),1'-[3]cyclohexene]-2',3-dione, 7-chloro-6-methoxy-6'-methyl-4,4'-bis(methylthio)-
(0)
Spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-carboxaldehyde
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Furan, 2-[(2-ethoxy-3,4-dimethyl-2-cyclohexen-1-ylidene)methyl]-
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Diazene, bis[3-(4-methoxycarbonyl-1,2,5-oxadiazolyl)]-
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Azacyclododeca-1,5,9-triene, 3,3-dimethyl-12-(1-methylethyl)-
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Barbituric acid, 5-ethyl-5-(1-methyl-2-butenyl)-
(0)
Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-
(0)
N-Hydroxy-12-azadispiro(4,1,4,2)tridec-8-ene-6,13-dione
(0)
N-[(furan-2-yl)methyl]-3-(thiophen-2-yl)prop-2-enamide
(0)
N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
(0)
N-(5-(tert-Butyl)isoxazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide
(0)
9-Azabicyclo[4.2.1]nona-2,4-diene-9-carbaldehyde
(0)
8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene
(0)
7-Oxabicyclo[4.2.1]nona-2,4-dien-8-ylidenesulfamoyl chloride
(0)
6-Oxa-3-azabicyclo[3.2.1]octa-1,3,5(8)-trien-7-one, 8-(hydroxymethyl)-4-methyl-
(0)
6,6-Dimethyl-10-methylene-1-oxaspiro[4.5]dec-3-ene
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3-Pyridinecarboxylic acid, 5-ethenyl-, methyl ester
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5-Allylsulfanyl-1-(4-methoxy-phenyl)-1H-tetrazole
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5-Allyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
(0)
5-Hydroxy-7-methoxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
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5,5,8a-Trimethyl-3,5,6,7,8,8a-hexahydro-2H-chromene
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5-(1-Cyclohexenyl)-5-ethyldihydro-4,6(1H,5H)-pyrimidinedione
(0)
5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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4-[5-(4-hydroxyphenyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one
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4-(2-(3,4-Dichlorophenyl)vinyl)-2-(2-(1-piperidinyl)ethyl)-1H-pyrrolo(3,4-c)quinoline-1,3(2H)-dione
(0)
3-Methylamino-6-(2-(5-nitro-2-furyl)vinyl)-1,2,4-triazine
(0)
3-Methyl-2-vinyl-2,3-dihydro-1,3-benzoxazin-4-one
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3-Buten-2-one, 4-(dimethylamino)-4-(1-piperidinyl)-
(0)
3-Buten-2-ol, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
(0)
3,8-Dioxatricyclo[5.1.0.0(2,4)]octane, 4-ethenyl-
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3-(6-Methoxy-3-methyl-2-benzofuranyl)acrylic acid
(0)
Methyl 2-oxabicyclo[3.1.0]hex-3-ene-4-carboxylate
(0)
2-Hydroxy-4-oxo-4-[4-(cyclohexylamino)-6-methyl-2-oxo-2H-pyran-3-yl]-2-butenoic acid ethyl ester
(0)
2-Propenal, 3-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-
(0)
2H-Pyran-2-one, 6-[4,4-bis(methylthio)-1,2,3-butatrienyl]-
(0)
2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
(0)
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-3,6-diene
(0)
2,5-Dihydro-2-methyl-3-methylthio-6-(2-(5-nitro-2-furyl)vinyl)-5-oxo-1,2,4-triazine
(0)
2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
(0)
2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-
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2,4-Dimethyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
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2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-
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Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
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2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile
(0)
2-(2-Methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
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Ethyl 1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate
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1'-Methyl-spiro[benzo[1,3]dioxole-2,3'-pyrrolidine]
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Ethyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
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1H-Isoindole-1,3(2H)-dione, 2-(3-azatricyclo[3.2.1.0(2,4)]oct-6-en-3-yl)-
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1,4-Dihydro-2-methyl-1,4-ethenoisoquinolin-3(2H)-one
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1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-
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1,3-Benzodioxole-5-carboxaldehyde, phenylhydrazone
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1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one
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1,2,4-Triazolidine-3,5-dione, 4-phenyl-1-(1,2,3,4-tetrahydro-9-(2-propenyl)-1,4-methanonaphthalen-9-yl)-
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[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-[(Z)-2-methylbut-2-enoyl]oxypropan-2-yl] 2,3-dimethyloxirane-2-carboxylate
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ethyl (E)-2-cyano-3-[4-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]phenyl]prop-2-enoate
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(E)-1-[(1R,4S)-6,7,7-Trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1alpha-yl]-2-buten-1-one
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(2Z)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enethioamide
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(2S)-3,5-Dihydro-5,7-dimethoxy-3beta-methyl-5beta-(2-propenyl)-2alpha-(3,4,5-trimethoxyphenyl)-6(2H)-benzofuranone
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(2S)-2alpha-(1,3-Benzodioxol-5-yl)-3,3a,4,5-tetrahydro-5beta-methoxy-3beta-methyl-3aalpha-(2-propenyl)benzofuran-6(2H)-one
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(2E,4E)-9-(3,4-Methylenedioxyphenyl)nona-2,4-dienoic acid
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(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)acetic acid
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(1S,8R)-3,7,11,11-tetramethyl-12-oxatricyclo[6.3.1.01,6]dodeca-2,6-diene
(0)
(1S)-3-Methoxy-7beta-(7-methoxy-1,3-benzodioxol-5-yl)-6alpha-methyl-5alpha-allylbicyclo[3.2.1]oct-3-ene-2,8-dione
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(1R,8S)-2,3,4,4,5,5,6-heptafluoro-11-oxatetracyclo[6.2.1.02,7.03,6]undec-9-ene
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