Exact Mass: 271.10495380000003
Exact Mass Matches: 271.10495380000003
Found 500 metabolites which its exact mass value is equals to given mass value 271.10495380000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(R)-Higenamine
(RS)-norcoclaurine is a norcoclaurine. It is a conjugate base of a (RS)-norcoclaurinium. Higenamine is under investigation in clinical trial NCT01451229 (Pharmacokinetics and Pharmacodynamics of Higenamine in Chinese Healthy Subjects). Higenamine is a natural product found in Delphinium caeruleum, Aconitum triphyllum, and other organisms with data available. (R)-Higenamine is found in coffee and coffee products. (R)-Higenamine is an alkaloid from the seed embryo of Nelumbo nucifera (East India lotus). D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Normorphine
Normorphine, also known as desmethylmorphine, belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. The compound has relatively little opioid activity in its own right, but is a useful intermediate which can be used to produce both opioid antagonists such as nalorphine, and also potent opioid agonists such as N-phenethylnormorphine. Normorphine is a very strong basic compound (based on its pKa). Its formation from morphine is catalyzed by the liver enzymes CYP3A4 and CYP2C8. Normorphine is a controlled substance listed under the Single Convention On Narcotic Drugs 1961 and the laws in various states implementing it; for example, in the United States, it is a Schedule I Narcotic controlled substance, with an ACSCN of 9313 and an annual aggregate manufacturing quota of 18 grams in 2014, unchanged from the prior year. Normorphine is an opiate analogue, the N-demethylated derivative of morphine, that was first described in the 1950s when a large group of N-substituted morphine analogues were characterized for activity. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
Caranine
An indolizidine alkaloid that is galanthan substituted by analpha-hydroxy group at position 1 and a methylenedioxy group across position 9 and 10. An alkaloid commonly found in the members of the family amaryllidaceae.
(E,E)-Trichostachine
(E,E)-Trichostachine is found in herbs and spices. (E,E)-Trichostachine is an alkaloid from Piper nigrum (pepper Alkaloid from Piper nigrum (pepper). (E,E)-Trichostachine is found in herbs and spices and pepper (spice).
(4aR,10bS)-Noroxomaritidine
An isoquinoline alkaloid that is 4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one carrying additional hydroxy and methoxy substituents at positions 8 and 9 respectively (the 4aR,10bS-diastereomer).
Pummeline
Pummeline is found in citrus. Pummeline is an alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi) (Rutaceae)). Alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi) (Rutaceae)). Pummeline is found in citrus.
Koeniginequinone B
Koeniginequinone B is found in herbs and spices. Koeniginequinone B is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
(±)-Tembamide
(±)-Tembamide is found in fruits. (±)-Tembamide is an alkaloid from the root of Aegle marmelos (bael fruit
Carotamine
Carotamine is found in root vegetables. Carotamine is isolated from carrots. Isolated from carrots. Carotamine is found in root vegetables.
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine [HMDB] 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine.
Norhydromorphone
Norhydromorphone is only found in individuals that have used or taken Hydromorphone. Norhydromorphone is a metabolite of Hydromorphone. Norhydromorphone belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Bupranolol
Bupranolol is only found in individuals that have used or taken this drug. It is a non-selective beta blocker without intrinsic sympathomimetic activity (ISA), but with strong membrane stabilizing activity. Its potency is similar to propranolol:http://www.drugbank.ca/drugs/DB00571. Bupranolol competes with sympathomimetic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart, inhibiting sympathetic stimulation. This results in a reduction in resting heart rate, cardiac output, systolic and diastolic blood pressure, and reflex orthostatic hypotension. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Bupranolol is an orally active, competitive and non-selective β-adrenoceptor antagonist without intrinsic sympathomimetic activity[1].
4-hydroxy ketorolac
4-hydroxy ketorolac is a metabolite of ketorolac. Ketorolac or ketorolac tromethamine (marketed under the trademarks Toradol and Acular in the US, where generics have also been approved, and various other brand names Minolac {ACI Pharmaceuticals} around the world) is a non-steroidal anti-inflammatory drug (NSAID) in the family of heterocyclic acetic acid derivatives, often used as an analgesic. Ketorolac acts by inhibiting the bodily synthesis of prostaglandins. (Wikipedia)
1-Tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
5,6-Dihydroxy-3-phenyl-1-aminomethylisochroman
Carbutamide
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
Ciadox
C12H9N5O3 (271.07053640000004)
(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide
Xanthoxotin
Xanthoxotin is a member of the class of compounds known as acridones. Acridones are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Xanthoxotin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoxotin can be found in wild celery, which makes xanthoxotin a potential biomarker for the consumption of this food product.
indole-3-acetyl-proline
C15H15N2O3 (271.10826199999997)
Indole-3-acetyl-proline is also known as iaa-pro. Indole-3-acetyl-proline is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-proline can be found in a number of food items such as dill, black crowberry, savoy cabbage, and arrowhead, which makes indole-3-acetyl-proline a potential biomarker for the consumption of these food products.
Quinocitrinine A
Quinocitrinine B
Carbutamide
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3352; ORIGINAL_PRECURSOR_SCAN_NO 3348 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3439; ORIGINAL_PRECURSOR_SCAN_NO 3438 ORIGINAL_ACQUISITION_NO 3414; ORIGINAL_PRECURSOR_SCAN_NO 3413; CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3414; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3429; ORIGINAL_PRECURSOR_SCAN_NO 3428 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3359; ORIGINAL_PRECURSOR_SCAN_NO 3357 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3356; ORIGINAL_PRECURSOR_SCAN_NO 3354 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7017; ORIGINAL_PRECURSOR_SCAN_NO 7015 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7050; ORIGINAL_PRECURSOR_SCAN_NO 7047 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7068; ORIGINAL_PRECURSOR_SCAN_NO 7066 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7086; ORIGINAL_PRECURSOR_SCAN_NO 7084 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7089 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7098; ORIGINAL_PRECURSOR_SCAN_NO 7093
zaprinast
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors
5-(1H-indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
N-{[(Isopropylamino)carbonyl]oxy}-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanimidamide
2-(tert-Butylsulfonyl)-3-(piperidinoamino)acrylonitrile
C12H21N3O2S (271.13544060000004)
dimethenamid OXA
A monocarboxylic acid that is oxoacetic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It is a metabolite of the herbicide dimethenamid. CONFIDENCE standard compound; EAWAG_UCHEM_ID 259 CONFIDENCE standard compound; INTERNAL_ID 2040
7-methoxy-N-methyl flindersine|8-methoxy-N-methylflindersine|N-Methylhaplamine
1-[(2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoyl]-2,3-dehydropiperidine|Otanthusic acid 2,3-dehydropiperidide
6-amino-9-[1-(3,4-dihydroxy phenyl)ethyl]-9h-purine
(+/-)-3-oxoisoelaeocarpine|rac-(6aS,12aR,12bR)-1,2,6,6a,12a,12b-hexahydro-11-methyl-5H-chromeno[2,3-g]indolizine-3,12-dione
1,3-Dihydroxy-4-methoxy-10-methylacridin-9(10H)-one
1,3-Dihydroxy-5-methoxy-10-methyl-9,10-dihydroacridine-9-one
1,8-Dihydroxy-3-methoxy-10-methylacridin-9(10H)-one
O1-[3]pyridyl-beta-D-glucopyranuronic acid|O1-[3]Pyridyl-beta-D-glucopyranuronsaeure
3,6-Dimethoxy-4-methyl-7-hydroxy-5H-indeno[1,2-b]pyridin-5-one
3-indol-3-ylmethyl-1,6-dimethyl-piperazine-2,5-dione|cyclo(L-Trp-N-methyl-L-Ala-)
5,9-dimethoxy-2,2-dimethyl-[2H]-pyrano[2,3-b]quinoline
1,4-Lactone,tri-N-Ac-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
(7S)-(7at)-8,9-Dihydro-6H,7aH-7r,11ac-aethano-[1,3]dioxolo[4,5-k]phenanthridin-9t-ol|(7S)-(7at)-8,9-dihydro-6H,7aH-7r,11ac-ethano-[1,3]dioxolo[4,5-k]phenanthridin-9t-ol
3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
1-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
acetaminosalol
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Ocusert
A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.
Piperyline
A N-acylpyrrolidine that is pyrollidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.
Pilocarpine Nitrate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
5,8-Dimethoxy-7-hydroxy-1-methyl-4-azafluoren-9-one
Mefenamic acid Metabolite (Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-)
Norhydromorphone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Bupranolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Bupranolol is an orally active, competitive and non-selective β-adrenoceptor antagonist without intrinsic sympathomimetic activity[1].
Higenamine
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
(4-BUTOXY-BENZOYLAMINO)-ACETICACID
C14H14BNO4 (271.10158340000004)
(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
N-[(3,4-dimethoxyphenyl)methyl]cyclopentanamine,hydrochloride
Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate
2-(FURAN-2-CARBONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Ciadox
C12H9N5O3 (271.07053640000004)
Isocyano(phenyl)methyl 4-methylphenyl sulfone
C15H13NO2S (271.06669580000005)
n-propionyl-(2r)-bornane- 10,2-sultam
C13H21NO3S (271.12420760000003)
Ftivazide
D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
4-(4-Fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2(1H)-one
C17H18FNO (271.13723500000003)
5-[cyclopentyl(prop-2-enyl)amino]-2-nitrobenzonitrile
(DIMETHYLAMINO)METHYLPHENYLOXOSULFONIUMTETRAFLUOROBORATE
1-isopropyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
6,7-DIETHOXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
10H-Phenothiazine-10-propanoicacid
C15H13NO2S (271.06669580000005)
(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
p-nitrophenyl alpha-l-arabinopyranoside
(R)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
(R)-1-TERT-BUTYL 2-ETHYL 5-OXOPIPERIDINE-1,2-DICARBOXYLATE
(S)-1-TERT-BUTYL 2-ETHYL 5-OXOPIPERIDINE-1,2-DICARBOXYLATE
3-(TERT-BUTOXYCARBONYLAMINO)-4-CHLOROPHENYLBORONIC ACID
ETHYL 4-CHLORO-2-MORPHOLINOPYRIMIDINE-5-CARBOXYLATE
C11H14ClN3O3 (271.07236439999997)
B-D-Glucopyranose,1,6-anhydro-2-azido-2-deoxy-,3,4-diacetate
C10H13N3O6 (271.08043180000004)
1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]ethanone,hydrochloride
2-(5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)OXAZOL-4-YL)ETHANOL
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate
(R)-3-AMINO-4-(4-(TERT-BUTYL)PHENYL)BUTANOIC ACID HYDROCHLORIDE
L-PROLINE, 4-(2-NAPHTHALENYLOXY)-, METHYL ESTER, (4S)-
ETHYL 2-(PYRROLIDIN-3-YLOXY)BENZOATE HYDROCHLORIDE
Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride
N-[2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethyl]hydroxylamine
C13H21NO3S (271.12420760000003)
5,6-Dihydroxy-N-methyl-N-propyl-aminotetraline hydrochloride
3-(furan-2-ylmethyl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
3-[(4-fluorophenyl)methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzyl)-amine
N-(2-(DIMETHYLAMINO)ETHYL)-4-PIPERIDINECARBOXAMIDE DIHYDROCHLORIDE
[2-(4-Morpholinylsulfonyl)phenyl]boronic acid
C10H14BNO5S (271.06857040000006)
N-(3-Cyano-6-ethoxy-4-oxo-1,4-dihydro-7-quinolinyl)acetamide
ethyl5-((tert-butoxycarbonylamino)methyl)-1,2,4-oxadiazole-3-carboxylate
methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-4-methylsulfanyl-butyric acid
N,N-Diethyl 3-borono-4-methylbenzenesulfonamide
C11H18BNO4S (271.10495380000003)
1-TERT-BUTYL 2-ETHYL 3-OXOPIPERIDINE-1,2-DICARBOXYLATE
1-(1-Benzylpiperidin-3-yl)-2,2,2-trifluoroethanone
2-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-oxazole
N-(4-FLUOROBENZOYLMETHYL)-N-ISOPROPYLANILINE
C17H18FNO (271.13723500000003)
2-Methyl-2-propanyl 3-hydroxy-1-oxo-2-oxa-6-azaspiro[4.5]decane-6 -carboxylate
Methyl 3-(methoxycarbonyl)-7-oxo-9-azabicyclo[3.3.1]nonane-9-acetate
3-((TERT-BUTOXYCARBONYL)AMINO)-3-(THIOPHEN-2-YL)PROPANOIC ACID
4-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID ETHYL ESTER
3-CHLORO-N N-BIS(TRIMETHYLSILYL)ANILINE&
C12H22ClNSi2 (271.09792419999997)
4-aminophenyl-alpha-d-glucopyranoside
1-CYCLOHEXYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one,dihydrochloride
1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline
ETHYL 5-BENZYL-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
(4-(N-ISOBUTYRYLSULFAMOYL)PHENYL)BORONIC ACID
C10H14BNO5S (271.06857040000006)
3-AMINO-1,4-DIMETHYL-5H-PYRIDO[4,3-B]INDOLE, ACETATE
[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate
5-(n-tert-butylsulfamoyl)-2-methylphenylboronic acid
C11H18BNO4S (271.10495380000003)
1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N-METHYLETHANAMINE
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-THIENYL)PROPANOIC ACID
L-Homophenylalanine tert-Butyl Ester Hydrochloride
1,2,3,3-tetramethyl-3H-indolium dihydrogen phosphate
(4-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
C14H14BNO4 (271.10158340000004)
7-METHYL-4-(METHYLTHIO)-8-PHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-AMINE
C13H13N5S (271.08916180000006)
6-(3-FLUOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
N-Methyl-N-(3-chloropropyl)-3,4-dimethoxyphenethylamine
2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
(R)-2-(2-NAPHTHYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
tert-butyl (S)-2-(5-chloro-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
4-(2-DiMethylaMino)ethoxycinnaMic Acid Hydrochloride
3,4-dihydro-3-oxo-4-β-D-ribofuranosyl-2-pyrazinecarboxaMide
C10H13N3O6 (271.08043180000004)
(R)-tert-Butyl 3-amino-4-phenylbutanoate hydrochloride
1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CarbaMic acid, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-, 1,1-diMethylethyl ester
(3-(N-(tert-Butyl)-N-methylsulfamoyl)phenyl)boronic acid
C11H18BNO4S (271.10495380000003)
(3S)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one,nitric acid
tert-Butyl (1-(4-chlorophenyl)-2-hydroxyethyl)carbamate
(4-BENZYL-MORPHOLIN-2-YL)-ACETIC ACID HYDROCHLORIDE
tert-butyl N-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]carbamate
(2,3,5,6-tetramethyl-benzenesulfonylamino)-acetic acid
5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
(3-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
C14H14BNO4 (271.10158340000004)
(4-(N-(3-(4-METHYLPIPERAZIN-1-YL)PROPYL)SULFAMOYL)PHENYL)BORONIC ACID
C10H14BNO5S (271.06857040000006)
(4-(N,N-Diethylsulfamoyl)-2-methylphenyl)boronic acid
C11H18BNO4S (271.10495380000003)
P-AMINOPHENYL β-D-GLUCOPYRANOSIDE
(S)-3-AMINO-4-(4-(TERT-BUTYL)PHENYL)BUTANOIC ACID HYDROCHLORIDE
4-(1-cyclopropyl-1,3-dioxobutan-2-yl)oxy-2,6-dimethylbenzonitrile
N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide
2-[(4-Amino-3-methylphenyl)ethylamino]ethyl sulfate
C12H21N3O2S (271.13544060000004)
N-Methyl-N-(3-chloropropyl)-3,4-dimethoxy benzenethylamine
2-cyclopropyl-2-propylamine p-toluenesulfonate
C13H21NO3S (271.12420760000003)
[3-(4-Morpholinylsulfonyl)phenyl]boronic acid
C10H14BNO5S (271.06857040000006)
ethyl 4-formyl-2,5-dimethyl-1-phenylpyrrole-3-carboxylate
Methyl 1-Boc-3-methyl-4-oxo-piperidine-3-carboxylate
Ethyl 3-((tert-butoxycarbonylamino)methyl)-1,2,4-oxadiazole-5-carboxylate
1-(Methylsulfonyl)pyrrole-3-boronic acid
C11H18BNO4S (271.10495380000003)
metiazinic acid
C15H13NO2S (271.06669580000005)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(2-Methyl-1-oxo-1-phenyl-2-propanyl)phenylazinic acid
2-Chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Amylocaine hydrochloride
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
N-1-azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide
Meprylcaine hydrochloride
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide
PHA-543613 is a potent, orally active, brain-penetrant and selective α7 nAChR agonist with a Ki of 8.8 nM. PHA-543613 displays selectivity for α7-nAChR over α3β4, α1β1γδ, α4β2 and 5-HT3 receptors[1]. PHA-543613 can be used for the cognitive deficits of Alzheimer's disease and schizophrenia research[2].
5,6-Dihydroxy-3-phenyl-1-aminomethylisochroman
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea
C15H17N3S (271.11431220000003)
N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
5-benzyl-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
C12H17NO2S2 (271.07006620000004)
4-Cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazide
3-(2,4-dimethylphenyl)-N-(2-thienylmethyl)acrylamide
7-[(3,5-Dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one
4-hydroxy-6-isopropyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
3-(2-Phenoxyethyl)-1,3-benzothiazol-2-one
C15H13NO2S (271.06669580000005)
2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanamine
4-Chloro-N,N-bis(trimethylsilyl)aniline
C12H22ClNSi2 (271.09792419999997)
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine [HMDB] 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine.
4-hydroxy ketorolac
4-hydroxy ketorolac is a metabolite of ketorolac. Ketorolac or ketorolac tromethamine (marketed under the trademarks Toradol and Acular in the US, where generics have also been approved, and various other brand names Minolac {ACI Pharmaceuticals} around the world) is a non-steroidal anti-inflammatory drug (NSAID) in the family of heterocyclic acetic acid derivatives, often used as an analgesic. Ketorolac acts by inhibiting the bodily synthesis of prostaglandins. (Wikipedia)
2-Methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoate
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
1-(1,3-Benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea
3-(3-Formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl ester
4-Amino-2-(2,4-dimethoxyanilino)-5-pyrimidinecarbonitrile
5-Methyl-1-phenylhexan-3-yl sulfamate
C13H21NO3S (271.12420760000003)
6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinamine
C15H17N3S (271.11431220000003)
3-(1,5-dimethyl-3-pyrazolyl)-4-phenyl-1H-1,2,4-triazole-5-thione
C13H13N5S (271.08916180000006)
2-[2-methoxy-4-(methylthio)phenyl]-3H-imidazo[4,5-c]pyridine
3-(4-Ethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2-naphthalenone
1-(6-Methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea
C15H17N3S (271.11431220000003)
1-(1,3-Benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea
1-(2-methyl-1H-indol-3-yl)-2-(2-thiazolylamino)ethanone
3-Amino-4-[[(4-aminophenyl)-oxomethyl]amino]benzoic acid
5-(3,5-Dimethyl-1-piperidinyl)-2-(2-furanyl)-4-oxazolecarbonitrile
3-[2-(4-Fluorophenyl)-5-tetrazolyl]-2-methoxypyridine
C13H10FN5O (271.08693420000003)
5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamine
2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxybenzamide
3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
2,2-Dimethyl-3-spiro[5,6,7,8a-tetrahydrothiazolo[3,2-a]pyridine-8,4-thiane]one
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-pyrrolyl)acetamide
3-(2-methyl-3-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
2,4-dihydroxy-6-[(3E,5E,7E)-2-oxonona-3,5,7-trienyl]benzaldehyde
[(E)-1-(4-methylphenyl)ethylideneamino] 4-fluorobenzoate
2-[[Methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene]propanedinitrile
N-[(E)-1H-pyrrol-2-ylmethylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
N-(alpha-L-glutamyl)-2-naphthylamine(1-)
C15H15N2O3- (271.10826199999997)
N-(gamma-L-glutamyl)-2-naphthylamine(1-)
C15H15N2O3- (271.10826199999997)
An L-alpha-amino-acid anion obtained by deprotonation of the carboxy group of N-(gamma-L-glutamyl)-2-naphthylamine.
2-Aminoethyl (3-butoxy-2-hydroxypropyl) hydrogen phosphate
3,4,4a,5-Tetrahydrobenzo[g]isoquinolin-10(2H)-one, TMS derivative
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
1-(Chloromethyl)-1,1,3,3,3-pentametyl-2-phenyl-disilazane
C12H22ClNSi2 (271.09792419999997)
(3S,4R)-3-ethyl-4-[(3-methyl-1H-imidazol-3-ium-4-yl)methyl]oxolan-2-one;nitrate
(4aS,10bR)-Noroxomaritidine
An isoquinoline alkaloid that is 4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one carrying additional hydroxy and methoxy substituents at positions 8 and 9 respectively (the 4aS,10bR-diastereomer).
Normorphine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
2-[3-Carboxy-3-(methylammonio)propyl]-L-histidine
An ammonium ion that is a derivative of L-histidine having a 3-carboxy-3-(methylammonio)propyl group at the 2-position on the imidazole ring.
12R-LOX-IN-2
12R-LOX-IN-2 (compound 7b) is an inhibitor of 12R-lipoxygenase (12R-LOX). 12R-LOX-IN-2 inhibits imiquimod (IMQ)-induced hyperproliferation of psoriatic keratinocytes and suppresses colony formation. 12R-LOX-IN-2 also reduced the protein level of Ki67 and the mRNA expression of IL-17A in IMQ-induced cells. 12R-LOX-IN-2 can be used in research into psoriasis and other skin-related inflammatory diseases[1].
3,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
C10H13N3O6 (271.08043180000004)
(2s,3r,5r,6r)-3,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
C10H13N3O6 (271.08043180000004)
2-{[hydroxy(phenyl)methylidene]amino}-4-methoxybenzoic acid
8-methoxy-2-methyl-5h-chromeno[4,3-b]pyridine-10-carboxylic acid
8-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
methyl 1-hydroxy-6-methoxy-9h-carbazole-3-carboxylate
1-(4-hydroxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
4-hydroxy-1-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclopent-2-ene-1-carbonitrile
2-benzamidobenzoic acid; 4-hydroxy,me ester
{"Ingredient_id": "HBIN005348","Ingredient_name": "2-benzamidobenzoic acid; 4-hydroxy,me ester","Alias": "NA","Ingredient_formula": "C15H13NO4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8689","PubChem_id": "NA","DrugBank_id": "NA"}