Exact Mass: 182.1030774
Exact Mass Matches: 182.1030774
Found 500 metabolites which its exact mass value is equals to given mass value 182.1030774,
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
(-)-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.
Sorbitol
Sorbitol is a polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures. It is also used in many manufacturing processes, as a pharmaceutical aid, and in several research applications. Ascorbic acid fermentation; in solution form for moisture-conditioning of cosmetic creams and lotions, toothpaste, tobacco, gelatin; bodying agent for paper, textiles, and liquid pharmaceuticals; softener for candy; sugar crystallization inhibitor; surfactants; urethane resins and rigid foams; plasticizer, stabilizer for vinyl resins; food additive (sweetener, humectant, emulsifier, thickener, anticaking agent); dietary supplement. (Hawleys Condensed Chemical Dictionary) Biological Source: Occurs widely in plants ranging from algae to the higher orders. Fruits of the plant family Rosaceae, which include apples, pears, cherries, apricots, contain appreciable amounts. Rich sources are the fruits of the Sorbus and Crataegus species Use/Importance: Used for manufacturing of sorbose, propylene glycol, ascorbic acid, resins, plasticizers and as antifreeze mixtures with glycerol or glycol. Tablet diluent, sweetening agent and humectant, other food uses. Sorbitol is used in photometric determination of Ru(VI) and Ru(VIII); in acid-base titration of borate (Dictionary of Organic Compounds). Occurs widely in plants ranging from algae to the higher orders. Fruits of the plant family Rosaceae, which include apples, pears, cherries, apricots, contain appreciable amounts. Rich sources are the fruits of the Sorbus and Crataegus subspecies Sweetening agent and humectant and many other food uses. D-Glucitol is found in many foods, some of which are common salsify, other bread, wild rice, and common chokecherry. 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 Acquisition and generation of the data is financially supported in part by CREST/JST. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D005765 - Gastrointestinal Agents > D002400 - Cathartics 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].
L-Iditol
L-Iditol, also known as L-idit or D-dulcitol, belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. L-Iditol exists in all living species, ranging from bacteria to humans. L-Iditol has been detected, but not quantified, in several different foods, such as saffrons, adzuki beans, custard apples, pepper (c. frutescens), and boysenberries. This could make L-iditol a potential biomarker for the consumption of these foods. Occurs with D-glucitol in the berry of mountain ash (Sorbus aucuparia) and in other plants [CCD]. L-Iditol is found in many foods, some of which are blackcurrant, sweet bay, agar, and bayberry. Acquisition and generation of the data is financially supported in part by CREST/JST.
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
Carcinine
A beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of histamine.
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.
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.
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.
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
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-AMINO-6-(TERT-BUTYL)-1-METHYL-1,2-DIHYDRO-1,3,5-TRIAZIN-2-ONE
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]-
N-CYANO-N-[(TETRAHYDROFURAN-2-YL)METHYL]-N-METHYLGUANIDINE
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
1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID
C8H15BN2O2 (182.12265200000002)
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)-
Mildronate
Meldonium (MET-88) dihydrate functions as a cardioprotective agent by cpmpetetively inhibiting γ-butyrobetaine hydroxylase (BBOX) and carnitine/organic cation transporter type 2 (OCTN2). Mildronate dihydrate exhibits IC50 values of 34-62 μM for human recombinant BBOX and an EC50 of 21 μM for human OCTN2. Meldonium dihydrate is a fatty acid oxidation inhibitor[1][2].
2-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)acetamide
1H-Pyrazole-3-carboxylicacid,5-ethyl-1-methyl-,ethylester(9CI)
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
5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
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)
2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetohydrazide(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.
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"}
