Exact Mass: 182.0942894
Exact Mass Matches: 182.0942894
Found 500 metabolites which its exact mass value is equals to given mass value 182.0942894,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harman
Harman is an indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. It has a role as an anti-HIV agent, a plant metabolite and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It is an indole alkaloid, an indole alkaloid fundamental parent and a harmala alkaloid.
Harman is a natural product found in Ophiopogon, Strychnos johnsonii, and other organisms with data available.
An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.
Isolated from roots of Panax ginseng and Codonopsis lanceolata (todok). Struct. has now been shown to be identical with 1-Acetyl-b-carboline
Dacarbazine
Dacarbazine appears as white to ivory microcrystals or off-white crystalline solid. (NTP, 1992) (E)-dacarbazine is a dacarbazine in which the N=N double bond adopts a trans-configuration. An antineoplastic agent. It has significant activity against melanomas. (from Martindale, The Extra Pharmacopoeia, 31st ed, p564). Dacarbazine with Oblimersen is in clinical trials for the treatment of malignant melanoma. Dacarbazine is an Alkylating Drug. The mechanism of action of dacarbazine is as an Alkylating Activity. Dacarbazine (also known as DTIC) is an intravenously administered alkylating agent used in the therapy of Hodgkin disease and malignant melanoma. Dacarbazine therapy has been associated with serum enzyme elevations during therapy and occasional cases of severe and distinctive acute hepatic failure, probably caused by acute sinusoidal obstruction syndrome. Dacarbazine is a triazene derivative with antineoplastic activity. Dacarbazine alkylates and cross-links DNA during all phases of the cell cycle, resulting in disruption of DNA function, cell cycle arrest, and apoptosis. (NCI04) An antineoplastic agent. It has significant activity against melanomas. (from Martindale, The Extra Pharmacopoeia, 31st ed, p564) Dacarbazine is only found in individuals that have used or taken this drug. It is an antineoplastic agent. It has significant activity against melanomas. (from Martindale, The Extra Pharmacopoeia, 31st ed, p564)The mechanism of action is not known, but appears to exert cytotoxic effects via its action as an alkylating agent. Other theories include DNA synthesis inhibition by its action as a purine analog, and interaction with SH groups. Dacarbazine is not cell cycle-phase specific. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Galactitol
Galactitol or dulcitol is a sugar alcohol that is a metabolic breakdown product of galactose. Galactose is derived from lactose in food (such as dairy products). When lactose is broken down by the enzyme lactase it produces glucose and galactose. Galactitol has a slightly sweet taste. It is produced from galactose in a reaction catalyzed by aldose reductase. When present in sufficiently high levels, galactitol can act as a metabotoxin, a neurotoxin, and a hepatotoxin. A neurotoxin is a compound that disrupts or attacks neural cells and neural tissue. A hepatotoxin as a compound that disrupts or attacks liver tissue or liver cells. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of galactitol are associated with at least two inborn errors of metabolism, including galactosemia and galactosemia type II. Galactosemia is a rare genetic metabolic disorder that affects an individuals ability to metabolize the sugar galactose properly. Excess lactose consumption in individuals with galactose intolerance or galactosemia activates aldose reductase to produce galactitol, thus depleting NADPH and leading to lowered glutathione reductase activity. As a result, hydrogen peroxide or other free radicals accumulate causing serious oxidative damage to various cells and tissues. In individuals with galactosemia, the enzymes needed for the further metabolism of galactose (galactose-1-phosphate uridyltransferase) are severely diminished or missing entirely, leading to toxic levels of galactose 1-phosphate, galactitol, and galactonate. High levels of galactitol in infants are specifically associated with hepatomegaly (an enlarged liver), cirrhosis, renal failure, cataracts, vomiting, seizure, hypoglycemia, lethargy, brain damage, and ovarian failure. Galactitol is an optically inactive hexitol having meso-configuration. It has a role as a metabolite, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. Galactitol is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Galactitol is a natural product found in Elaeodendron croceum, Salacia chinensis, and other organisms with data available. Galactitol is a naturally occurring product of plants obtained following reduction of galactose. It appears as a white crystalline powder with a slight sweet taste. It may form in excess in the lens of the eye in galactosemias a deficiency of galactokinase. A naturally occurring product of plants obtained following reduction of GALACTOSE. It appears as a white crystalline powder with a slight sweet taste. It may form in excess in the lens of the eye in GALACTOSEMIAS, a deficiency of GALACTOKINASE. A naturally occurring product of plants obtained following reduction of galactose. It appears as a white crystalline powder with a slight sweet taste.; Dulcitol (or galactitol) is a sugar alcohol, the reduction product of galactose. Galactitol in the urine is a biomarker for the consumption of milk. Galactitol is found in many foods, some of which are elliotts blueberry, italian sweet red pepper, catjang pea, and green bean. An optically inactive hexitol having meso-configuration. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acquisition and generation of the data is financially supported in part by CREST/JST. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose.
(-)-2-Difluoromethylornithine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01C - Agents against leishmaniasis and trypanosomiasis C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors C471 - Enzyme Inhibitor > C2088 - Ornithine Decarboxylase Inhibitor D000970 - Antineoplastic Agents D - Dermatologicals KEIO_ID H097
iridotrial
(R)-Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D004791 - Enzyme Inhibitors
Dihydroconiferyl alcohol
Dihydroconiferyl alcohol, also known as 3-(4-guaiacyl)propanol or 3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Dihydroconiferyl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydroconiferyl alcohol can be found in lettuce and romaine lettuce, which makes dihydroconiferyl alcohol a potential biomarker for the consumption of these food products. Dihydroconiferyl alcohol is a cell division factor that can be found in pring sap of Acer pseudoplatanus L. Dihydroconiferyl alcohol can stimulate growth of soybean callus[1].
1,2,3-Trimethoxy-5-methylbenzene
1,2,3-trimethoxy-5-methylbenzene is a member of the class of compounds known as anisoles. Anisoles are organic compounds containing a methoxybenzene or a derivative thereof. 1,2,3-trimethoxy-5-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxy-5-methylbenzene can be found in safflower and tea, which makes 1,2,3-trimethoxy-5-methylbenzene a potential biomarker for the consumption of these food products.
5,10-dihydrophenazine
A member of the class of phenazines obtained by hydrogenation of the 5 and 10 positions of phenazine.
D-Talitol
A hexitol that is hexane-1,2,3,4,5,6-hexol having (2R,3R,4S,5R) configuration; the D-enantiomer of altritol.
[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid
Karion
Hexane-1,2,3,4,5,6-hexol is a hexitol. Hexitol is a natural product found in Mus musculus, Salacia chinensis, and other organisms with data available. DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1]. D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1]. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose.
(±)-threo-Anethole glycol
(±)-threo-Anethole glycol is found in fruits. (±)-threo-Anethole glycol is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). (±)-threo-Anethole glycol is found in fruits.
4-Ethyl-2,6-dimethoxyphenol
4-Ethyl-2,6-dimethoxyphenol is a component of smoked food flavourings. Component of smoked food flavourings
4-(Ethoxymethyl)-2-methoxyphenol
4-(Ethoxymethyl)-2-methoxyphenol is a food additive listed in the EAFUS food Additive Database (Jan 2001). Food additive listed in the EAFUS Food Additive Database (Jan 2001)
Verimol J
Verimol J is found in fruits. Verimol J is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol J is found in fruits.
Peperinic acid
Peperinic acid is found in herbs and spices. Peperinic acid is isolated from aged peppermint oil. Isolated from aged peppermint oil. Peperinic acid is found in herbs and spices.
Furfuryl pentanoate
Furfuryl pentanoate is a flavouring ingredient. Flavouring ingredient
2-Ethoxy-4-(methoxymethyl)phenol
2-Ethoxy-4-(methoxymethyl)phenol is a fragrance ingredient with a vanilla odour. Fragrance ingredient with a vanilla odour
Furfuryl isovalerate
Furfuryl isovalerate is found in coffee and coffee products. Furfuryl isovalerate is a flavouring ingredient. Furfuryl isovalerate is a constituent of coffee aroma. Flavouring ingredient. Constituent of coffee aroma. Furfuryl isovalerate is found in coffee and coffee products.
Isoamyl 2-furoate
Isoamyl 2-furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one
5,6-Dihydro-1,10-phenanthroline
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
(S)-3-(2-Methylphenoxy)propane-1,2-diol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents Mephenesin is an NMDA receptor antagonist and Mephenesin is a central muscle relaxant.
D-Iditol
Permitted bulk sweetener for foods. Sweetening agent. Food additive, used as anticaking agent, lubricant, for stabiliser and thickener, and for other uses in food processing
L-Lysine hydrochloride
Dietary supplement, nutrient L-lysine hydrochloride is an essential amino acid for humans with various benefits including treating herpes, increasing calcium absorption, reducing diabetes-related illnesses and improving gut health. L-lysine hydrochloride is an essential amino acid for humans with various benefits including treating herpes, increasing calcium absorption, reducing diabetes-related illnesses and improving gut health.
(±)-erythro-Anethole glycol
Constituent of Illicium verum (Chinese star anise). (±)-erythro-Anethole glycol is found in fruits.
D-Mannitol
Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates blood plasma osmolality, resulting in enhanced flow of water from tissues, including the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result, cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and pressure may be reduced. Mannitol may also be used for the promotion of diuresis before irreversible renal failure becomes established; the promotion of urinary excretion of toxic substances; as an Antiglaucoma agent; and as a renal function diagnostic aid. On October 30, 2020, mannitol was approved by the FDA as add-on maintenance therapy for the control of pulmonary symptoms associated with cystic fibrosis in adult patients and is currently marketed for this indication under the name BRONCHITOL® by Chiesi USA Inc. Mannitol, a type of sugar alcohol, serves several important biological functions: Osmotic Diuretic: Mannitol is used medically as an osmotic diuretic to reduce intracranial and intraocular pressure. By increasing urine production, it helps to draw excess fluid from the brain and eyes, which is beneficial in conditions like cerebral edema and glaucoma. Sweetener and Sugar Substitute: In the food industry, mannitol is used as a sweetener and sugar substitute. It provides sweetness without contributing to tooth decay and is often used in products for diabetics because it has a minimal impact on blood sugar levels. Preservative: Mannitol’s hygroscopic properties make it useful as a preservative in various products, including pharmaceuticals and foods, to prevent moisture absorption and maintain product stability. Laxative: In high concentrations, mannitol can act as a laxative due to its osmotic effect in the intestine, drawing water into the bowel and stimulating bowel movements. Tissue Protectant: In cryopreservation, mannitol is used to protect tissues from damage caused by freezing and thawing processes. Cell Culture Medium Component: Mannitol is often included in cell culture media to maintain osmotic balance and provide a stable environment for cell growth. Pharmaceutical Excipient: It is used as an excipient in the pharmaceutical industry, helping to enhance the stability and bioavailability of drugs. Mannitol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=69-65-8 (retrieved 2024-07-01) (CAS RN: 69-65-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity.
n-(hexahydro-1h-1,6-epoxypyrrolizin-7-yl)-n-methylformamide
1,7-Dimethyl-3-oxo-norbornan-7-carbonsaeure|1,7-dimethyl-3-oxo-norbornane-7-carboxylic acid
(+-)-5-Oxo-2-isopropyl-cyclohexen-(6)-carbonsaeure-(1)|2-Isopropyl-cyclohexen-(6)-on-(5)-carbonsaeure-(1)|2-Methoaethyl-cyclohexen-(6)-on-(5)-carbonsaeure-(1)|5-oxo-o-menth-6-en-7-oic acid|5-Oxo-o-menth-6-en-7-saeure
3-[(2E)-4-hydroxy-4-methylpent-2-en-1-yl]furan-2(5H)-one|sibiscolactone
(3R,5S,7S,8S,9S)-3,8-epoxy-7-hydroxy-Delta4,11-dihyronepetane|jatamanin C
5,10-dihydro-benzo[b][1,7]naphthyridine|beta-Carbolin|Harman
4-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxylic acid
(3S,8S)-(-)-4,6-decadiyne-1,3,8-triol|4,6-decadiyne-1,3,8-triol|4,6-Decadiyne-1,3,8-triol-(3S,8S)-form
(5R,9R)-3,9-epoxy-10-hydroxy-Delta4,11,7,8dihyronepeta-1-ol|jatamanin K
Carbachol
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AB - Choline esters D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
4-hydroxy-6-pentylpyran-2-one
A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and pentyl groups respectively.
L-Rhamnose monohydrate
α-L-Rhamnose monohydrate is a component of the plant cell wall pectic polysaccharides rhamnogalacturonan I and rhamnogalacturonan II. α-L-Rhamnose monohydrate is also a component of bacterial polysaccharides where it plays an important role in pathogenicity. α-L-Rhamnose monohydrate is a component of the plant cell wall pectic polysaccharides rhamnogalacturonan I and rhamnogalacturonan II. α-L-Rhamnose monohydrate is also a component of bacterial polysaccharides where it plays an important role in pathogenicity.
8FBR580ITD
Rhamnose monohydrate (L-Rhamnose monohydrate) is a monosaccharide found in plants and bacteria. Rhamnose monohydrate-conjugated immunogens is used in immunotherapies[1]. Rhamnose monohydrate crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2]. Rhamnose monohydrate (L-Rhamnose monohydrate) is a monosaccharide found in plants and bacteria. Rhamnose monohydrate-conjugated immunogens is used in immunotherapies[1]. Rhamnose monohydrate crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2].
guaiacyl propanol
Dihydroconiferyl alcohol is a member of class of phenols that is 2-methoxyphenol substituted by a 3-hydroxypropyl group at position 4. It has a role as a plant metabolite. It is a primary alcohol and a eugenol. Dihydroconiferyl alcohol is a natural product found in Euterpe oleracea, Broussonetia papyrifera, and other organisms with data available. See also: Acai fruit pulp (part of). A member of class of phenols that is 2-methoxyphenol substituted by a 3-hydroxypropyl group at position 4. Dihydroconiferyl alcohol is a cell division factor that can be found in pring sap of Acer pseudoplatanus L. Dihydroconiferyl alcohol can stimulate growth of soybean callus[1].
Harman
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.504 D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens relative retention time with respect to 9-anthracene Carboxylic Acid is 0.500 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.495 IPB_RECORD: 461; CONFIDENCE confident structure Harmane, a β-Carboline alkaloid (BCA), is a potent neurotoxin that causes severe action tremors and psychiatric manifestations. Harmane shows 1000-fold selectivity for I1-Imidazoline receptor (IC50=30 nM) over α2-adrenoceptor (IC50=18 μM). Harmane is also a potent and selective inhibitor of monoamine oxidase (MAO) (IC50s=0.5 and 5 μM for human MAO A/B, respectively). Harmane exhibits comutagenic effect[1][2][3][4]. Harmane, a β-Carboline alkaloid (BCA), is a potent neurotoxin that causes severe action tremors and psychiatric manifestations. Harmane shows 1000-fold selectivity for I1-Imidazoline receptor (IC50=30 nM) over α2-adrenoceptor (IC50=18 μM). Harmane is also a potent and selective inhibitor of monoamine oxidase (MAO) (IC50s=0.5 and 5 μM for human MAO A/B, respectively). Harmane exhibits comutagenic effect[1][2][3][4]. Harmane, a β-Carboline alkaloid (BCA), is a potent neurotoxin that causes severe action tremors and psychiatric manifestations. Harmane shows 1000-fold selectivity for I1-Imidazoline receptor (IC50=30 nM) over α2-adrenoceptor (IC50=18 μM). Harmane is also a potent and selective inhibitor of monoamine oxidase (MAO) (IC50s=0.5 and 5 μM for human MAO A/B, respectively). Harmane exhibits comutagenic effect[1][2][3][4].
Harmane
Annotation level-1 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2281; CONFIDENCE confident structure IPB_RECORD: 2961; CONFIDENCE confident structure
Sorbitol
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CC - Tests for bile duct patency D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D005765 - Gastrointestinal Agents > D002400 - Cathartics CONFIDENCE standard compound; INTERNAL_ID 229 Acquisition and generation of the data is financially supported by the Max-Planck-Society D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1]. D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1].
Galactitol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose.
dulcitol
Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose.
Diosmol
D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity.
Mephenesin
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents Mephenesin is an NMDA receptor antagonist and Mephenesin is a central muscle relaxant.
Methyl 4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylate
(+/-)-cis-6-Hydroxy-1-Methylbicyclo[4.3.0]nonane-2,7-dione
1-(1-tert-butyl-4-hydroxy-1H-pyrazol-3-yl)ethanone
2,4(1H,3H)-Pyrimidinedione,6-methyl-3-(1-methylpropyl)-
1-(TERT-BUTYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid
4-ACETAMINO-4?-NITRODIPHENYLSULFONE-2?-SULFONAMIDE
O-(2-morpholin-4-ylethyl)hydroxylamine,hydrochloride
3-Oxabicyclo[3.2.1]octane-2,4-dione,1,8,8-trimethyl-, (1R,5S)-
3-Pyridazinecarboxamide, 6-[(2-hydroxyethyl)amino]-
1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid
1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid ethyl ester
5-methyl-2-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE
3-(3,5-Dimethyl-pyrazol-1-yl)-2-methyl-propionic acid
methyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
D-Lysine hydrochloride
D-Lysine monohydrochloride is an Lysine stereoisomer which can be used as a component of surfactants[1].
2-Furancarboxylic acid,5-(1,1-dimethylethyl)-, methyl ester
3-Furancarboxylic acid, 5-ethyl-2-methyl-, ethyl ester
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid(SALTDATA: FREE)
Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1R，4S)-
2-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)acetamide
1H-Pyrazole-3-carboxylicacid,5-ethyl-1-methyl-,ethylester(9CI)
Allitol
Allitol is a rare natural polyol that can be used as a sweetener. Allitol is an important intermediate for the preparation of the agents which against diabetes, cancer, and viral infections, including AIDS[1]. Allitol is a rare natural polyol that can be used as a sweetener. Allitol is an important intermediate for the preparation of the agents which against diabetes, cancer, and viral infections, including AIDS[1].
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
4-Cyano-2,2,5,5-tetramethyl-3-imidazoline-3-oxide-1-oxyl
(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid(SALTDATA: FREE)
1,3-Cyclohexanedione,2-(diaminomethylene)-5,5-dimethyl-(9CI)
Propylene oxide adduct of phenol, formaldehyde polymer
Marinoquinoline A
A pyrroloquinoline that is 3H-pyrrolo[2,3-c]quinoline substituted by a methyl group at position 4. It is a natural product found in Ohtaekwangia kribbensis and Rapidithrix thailandica.
Bjerkanderol A
Isolated from Foeniculum vulgare (fennel). erythro-Anethole glycol is found in herbs and spices and anise.
1H-Indene-1,5(4H)-dione, hexahydro-3a-hydroxy-7a-methyl-
Lysine hydrochloride
L-lysine hydrochloride is an essential amino acid for humans with various benefits including treating herpes, increasing calcium absorption, reducing diabetes-related illnesses and improving gut health. L-lysine hydrochloride is an essential amino acid for humans with various benefits including treating herpes, increasing calcium absorption, reducing diabetes-related illnesses and improving gut health.
Aribin
D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens Harmane, a β-Carboline alkaloid (BCA), is a potent neurotoxin that causes severe action tremors and psychiatric manifestations. Harmane shows 1000-fold selectivity for I1-Imidazoline receptor (IC50=30 nM) over α2-adrenoceptor (IC50=18 μM). Harmane is also a potent and selective inhibitor of monoamine oxidase (MAO) (IC50s=0.5 and 5 μM for human MAO A/B, respectively). Harmane exhibits comutagenic effect[1][2][3][4]. Harmane, a β-Carboline alkaloid (BCA), is a potent neurotoxin that causes severe action tremors and psychiatric manifestations. Harmane shows 1000-fold selectivity for I1-Imidazoline receptor (IC50=30 nM) over α2-adrenoceptor (IC50=18 μM). Harmane is also a potent and selective inhibitor of monoamine oxidase (MAO) (IC50s=0.5 and 5 μM for human MAO A/B, respectively). Harmane exhibits comutagenic effect[1][2][3][4]. Harmane, a β-Carboline alkaloid (BCA), is a potent neurotoxin that causes severe action tremors and psychiatric manifestations. Harmane shows 1000-fold selectivity for I1-Imidazoline receptor (IC50=30 nM) over α2-adrenoceptor (IC50=18 μM). Harmane is also a potent and selective inhibitor of monoamine oxidase (MAO) (IC50s=0.5 and 5 μM for human MAO A/B, respectively). Harmane exhibits comutagenic effect[1][2][3][4].
(±)-erythro-Anethole glycol
Constituent of Illicium verum (Chinese star anise). (¬±)-erythro-Anethole glycol is found in fruits. Constituent of Illicium verum (Chinese star anise). (±)-erythro-Anethole glycol is found in fruits.
8-Hydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-1-one
7-Deoxyloganetic aldehyde
A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a formyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).
[(2R,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]azanium
5-[(E)-dimethylaminodiazenyl]-1H-imidazole-2-carboxamide
Tyrosinium
An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group.
(2S,3S,4R,5R)-(1,2,3,4,5,6-13C6)hexane-1,2,3,4,5,6-hexol
Dacarbazine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents Dacarbazine appears as white to ivory microcrystals or off-white crystalline solid. (NTP, 1992) (E)-dacarbazine is a dacarbazine in which the N=N double bond adopts a trans-configuration. An antineoplastic agent. It has significant activity against melanomas. (from Martindale, The Extra Pharmacopoeia, 31st ed, p564). Dacarbazine with Oblimersen is in clinical trials for the treatment of malignant melanoma. Dacarbazine is an Alkylating Drug. The mechanism of action of dacarbazine is as an Alkylating Activity. Dacarbazine (also known as DTIC) is an intravenously administered alkylating agent used in the therapy of Hodgkin disease and malignant melanoma. Dacarbazine therapy has been associated with serum enzyme elevations during therapy and occasional cases of severe and distinctive acute hepatic failure, probably caused by acute sinusoidal obstruction syndrome. Dacarbazine is a triazene derivative with antineoplastic activity. Dacarbazine alkylates and cross-links DNA during all phases of the cell cycle, resulting in disruption of DNA function, cell cycle arrest, and apoptosis. (NCI04) An antineoplastic agent. It has significant activity against melanomas. (from Martindale, The Extra Pharmacopoeia, 31st ed, p564) C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
SOMAN
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D004791 - Enzyme Inhibitors
EFLORNITHINE
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01C - Agents against leishmaniasis and trypanosomiasis C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors C471 - Enzyme Inhibitor > C2088 - Ornithine Decarboxylase Inhibitor D000970 - Antineoplastic Agents D - Dermatologicals
(2,2,3-Trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid
(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde
3,6-Dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
3-(3-hydroxyprop-1-en-1-yl)-5-propyl-5h-furan-2-one
n-methyl-n-{2-oxa-6-azatricyclo[4.2.1.0³,⁷]nonan-8-yl}formamide
n-[(1r,3s,7s,8r)-2-oxa-6-azatricyclo[4.2.1.0³,⁷]nonan-8-yl]ethanimidic acid
5-[(1r,2z,4e)-1-hydroxyhexa-2,4-dien-1-yl]oxolan-2-one
6-hydroxy-3-(hydroxymethyl)-2,4,4-trimethylcyclohexa-2,5-dien-1-one
1-[(5s)-2-acetyl-5-hydroxycyclopent-1-en-1-yl]propan-1-one
(5r)-3-[(1e)-3-hydroxyprop-1-en-1-yl]-5-propyl-5h-furan-2-one
(1r,5s)-5-hydroxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
1-(4'-methoxyphenyl)-(1r,2r)-propanediol
{"Ingredient_id": "HBIN001513","Ingredient_name": "1-(4'-methoxyphenyl)-(1r,2r)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4'-methoxyphenyl)-(1r,2s)-propanediol
{"Ingredient_id": "HBIN001515","Ingredient_name": "1-(4'-methoxyphenyl)-(1r,2s)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14056","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4'-methoxyphenyl)-(1s,2r)-propanediol
{"Ingredient_id": "HBIN001517","Ingredient_name": "1-(4'-methoxyphenyl)-(1s,2r)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14057","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4'-methoxyphenyl)-(1s,2s)-propanediol
{"Ingredient_id": "HBIN001518","Ingredient_name": "1-(4'-methoxyphenyl)-(1s,2s)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14058","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-ethoxy-6-(methoxymethyl)phenol
{"Ingredient_id": "HBIN005594","Ingredient_name": "2-ethoxy-6-(methoxymethyl)phenol","Alias": "Methyl-(2-hydoxy-3-ethoxy-benzyl)ether","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CCOC1=CC=CC(=C1O)COC","Ingredient_weight": "182.22 g/mol","OB_score": "31.23345299","CAS_id": "NA","SymMap_id": "SMIT11364","TCMID_id": "NA","TCMSP_id": "MOL010305","TCM_ID_id": "NA","PubChem_id": "586449","DrugBank_id": "NA"}
3,4-DIMETHYLBIPHENYL
{"Ingredient_id": "HBIN007448","Ingredient_name": "3,4-DIMETHYLBIPHENYL","Alias": "4433-11-8; 1,2-dimethyl-4-phenyl-benzene; 1,1'-Biphenyl, 3,4-dimethyl-; 1,2-dimethyl-4-phenylbenzene","Ingredient_formula": "C14H14","Ingredient_Smile": "CC1=C(C=C(C=C1)C2=CC=CC=C2)C","Ingredient_weight": "182.26 g/mol","OB_score": "27.28789278","CAS_id": "4433/11/8","SymMap_id": "SMIT07437","TCMID_id": "NA","TCMSP_id": "MOL005715","TCM_ID_id": "NA","PubChem_id": "20492","DrugBank_id": "NA"}