Exact Mass: 223.1685
Exact Mass Matches: 223.1685
Found 279 metabolites which its exact mass value is equals to given mass value 223.1685,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Neostigmine
Neostigmine is only found in individuals that have used or taken this drug. It is a cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike physostigmine, does not cross the blood-brain barrier. [PubChem]Neostigmine is a parasympathomimetic, specifically, a reversible cholinesterase inhibitor. The drug inhibits acetylcholinesterase which is responsible for the degredation of acetylcholine. So, with acetylcholinesterase inhibited, more acetylcholine is present By interfering with the breakdown of acetylcholine, neostigmine indirectly stimulates both nicotinic and muscarinic receptors which are involved in muscle contraction. It does not cross the blood-brain barrier. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
Cerulenin
Cerulenin is an antifungal antibiotic that inhibits sterol and fatty acid biosynthesis. In fatty acid synthesis, reported to bind in equimolar ratio to b-keto-acyl-ACP synthase. In sterol synthesis, inhibits HMG-CoA synthetase activity. It is also shown to inhibit feeding and induce dramatic weight loss in mice. It is found naturally in the Cephalosporium caerulensfungus. [Wikipedia] D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4]. Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4].
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
1-benzyl-1,2,3,4-tetrahydroisoquinoline (1BnTIQ) as a possible PD-eliciting neurotoxin and evaluated its characteristics relevant to Parkinson disease (PD). 1BnTIQ exist in mammals and is proposed as possible PD-eliciting neurotoxin. PD is believed to be induced by the interaction of genetic predisposition and environmental factors, and a type of neurotoxin is proposed to be one of the environmental factors. 1BnTIQ inhibits [3H] dopamine uptake in HEK293 cells which stably express dopamine transporter. 1BnTIQ also inhibits NADH-ubiquinone oxidoreductase (complex I) in the mitochondrial respiratory chain. 1BnTIQ decreases the dopamine content in the mesencephalon in both dose- and time-dependent manners and it irreversibly reduced the dopamine content. Furthermore, it causes morphological changes in tyrosine hydroxylase-positive cells in the mesencephalon and reduced the number of cells. (PMID 12440154) [HMDB] 1-benzyl-1,2,3,4-tetrahydroisoquinoline (1BnTIQ) as a possible PD-eliciting neurotoxin and evaluated its characteristics relevant to Parkinson disease (PD). 1BnTIQ exist in mammals and is proposed as possible PD-eliciting neurotoxin. PD is believed to be induced by the interaction of genetic predisposition and environmental factors, and a type of neurotoxin is proposed to be one of the environmental factors. 1BnTIQ inhibits [3H] dopamine uptake in HEK293 cells which stably express dopamine transporter. 1BnTIQ also inhibits NADH-ubiquinone oxidoreductase (complex I) in the mitochondrial respiratory chain. 1BnTIQ decreases the dopamine content in the mesencephalon in both dose- and time-dependent manners and it irreversibly reduced the dopamine content. Furthermore, it causes morphological changes in tyrosine hydroxylase-positive cells in the mesencephalon and reduced the number of cells. (PMID 12440154). D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
Tigloidine
Tigloyltropeine is found in fruits. Tigloyltropeine is an alkaloid from Physalis alkekengi (winter cherry) roots. Alkaloid from Physalis alkekengi (winter cherry). Tigloidine is found in fruits. Tigloidin is an analogue of atropine, with anticholinergic activity. Tigloidin is an analogue of atropine, with anticholinergic activity.
bufexamac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3322
Bucetin
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3465 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3475; ORIGINAL_PRECURSOR_SCAN_NO 3473 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3486; ORIGINAL_PRECURSOR_SCAN_NO 3483 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3465; ORIGINAL_PRECURSOR_SCAN_NO 3462 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3484; ORIGINAL_PRECURSOR_SCAN_NO 3482 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3508; ORIGINAL_PRECURSOR_SCAN_NO 3507 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7495; ORIGINAL_PRECURSOR_SCAN_NO 7493 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7483; ORIGINAL_PRECURSOR_SCAN_NO 7481 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7504 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7516; ORIGINAL_PRECURSOR_SCAN_NO 7513 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7539; ORIGINAL_PRECURSOR_SCAN_NO 7535 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7503
(E,E)-2,4-Decadienoic isobutylamide
(E,E)-2,4-Decadienoic isobutylamide is found in herbs and spices. (E,E)-2,4-Decadienoic isobutylamide is a constituent of Achillea millefolium (yarrow) Constituent of Achillea millefolium (yarrow). (2E,4E)-Decadienoic isobutylamide is found in tarragon, herbs and spices, and pepper (spice).
Dihydrodioscorine
Dihydrodioscorine is found in root vegetables. Dihydrodioscorine is an alkaloid from the tubers of the famine food Dioscorea dumetoru
Dumetorine
Dumetorine is found in root vegetables. Dumetorine is an alkaloid from the tubers of the famine food Dioscorea dumetoru
Toliprolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
7,8-dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
3-ethoxy-4-vinyl-3,4,4a,5,6,7-hexahydro-pyrano[3,4-c]pyridin-8-one|?藛1.8a-Isomer-Spicatine+
(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-methanol
6-(3-methylbutylamino)-2-hydroxy-7,8-dihydropurine
NA 14:2
Pellitorine is a fatty amide. It has a role as a metabolite. Pellitorine is a natural product found in Coleonema album, Zanthoxylum caribaeum, and other organisms with data available. A natural product found in Piper sarmentosum.
Tigloidine
Tropigline is a natural product found in Datura stramonium with data available. Tigloidin is an analogue of atropine, with anticholinergic activity. Tigloidin is an analogue of atropine, with anticholinergic activity.
Cerulenin
An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function. D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4]. Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4].
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol
Rimiterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
(8S,Z)-8-methyl-6-((R)-2-methylbutylidene)octahydroindolizin-8-ol
(1S,Z)-1-methyl-3-(2-methylpropylidene)octahydro-2H-quinolizin-1-ol
tert-Butyl 1,3,3a,4,7,7a-hexahydro-2H-isoindole-2-carboxylate
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-4-AMINE
5-METHYL-4-PIPERIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID
tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
(2S,6S)-2,6-DI-TERT-BUTYL-2,3,5,6-TETRAHYDRO-1H-IMIDAZO[1,2-A]IMIDAZOLE
(6-Amino-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester
TERT-BUTYL 3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-2(3H)-CARBOXYLATE
3-AMINO-3-(2,5-DIMETHYL-4-METHOXY-PHENYL)-PROPIONIC ACID
Benzenamine, 4-(4-ethyl-1-piperazinyl)-2-fluoro- (9CI)
(2,2-DIMETHYL-[1,3]DIOXOLAN-4-YL)-HYDROXY-ACETICACIDETHYLESTER
6-Trimethylsilyl-N-tert-butyl-2,4-hexadienaldimine
TERT-BUTYL 4,7-DIHYDROFURO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE
tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate
1H-Benz[f]isoindole,2-cyclopropyl-2,3-dihydro-6-methyl-(9CI)
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
Tert-Butyl 5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
methyl 6-[(2-amino-2-methyl-propyl)amino]pyridine-3-carboxylate
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
tert-Butyl 5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate
1-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
5-(TERT-BUTYL)-4,5,6,7-TETRAHYDROBENZO[D]ISOXAZOLE-3-CARBOXYLIC ACID
(4-HYDROXY-2-METHYLPHENYL)CARBAMIC ACID TERT-BUTYL ESTER
tert-Butyl 3-(1H-pyrazol-1-yl)azetidine-1-carboxylate
6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
(S)-tert-butyl 2-amino-3,3-dimethylbutanoate hydrochloride
2,4(1H,3H)-Pyrimidinedione,6-methyl-5-(1-piperidinylmethyl)-
(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)methanamine
tert-butyl 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
tert-butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
3-(cyclohexylamino)-4-ethoxycyclobut-3-ene-1,2-dione
(2-amino-pyridin-4-ylmethyl)-carbamic acid tert-butyl ester
3,5-Dimethylisoxazole-4-boronic acid pinacol ester
tert-butyl 6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
(1R,4R)-4-(6-Methoxy-pyriMidin-4-ylaMino)-cyclohexanol
Pyrrolidinium, 1-methyl-1-propyl-, methanesulfonate
3-(2-Ethoxycarbonylethyl)-2,4-dimethyl-5-formylpyrrole
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)methanimine
N-(2-HYDROXY-1,1-DIMETHYLETHYL)-2-METHOXYBENZENECARBOXAMIDE
TERT-BUTYL 6,7-DIHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
3-[(ALLYLAMINO)CARBONYL]BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol
ETHYL 6-(TERT-BUTYL)-4-OXO-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
4-tert-butyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
1H-Indole,1-(2,5-dimethylphenyl)-2,3-dihydro-(9CI)
ethyl 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
N-[3,5-dimethyl-1-(1-oxopropyl)-4-pyrazolyl]propanamide
(3E,5Z)-tetradecadienoate
A long-chain unsaturated fatty acid anion that is the conjugate base of (3E,5Z)-tetradecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-(3-{3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)-5,6-dihydro-1H-pyridin-2-ol
(2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide
Nonylsulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a nonyl group.
(7-Methyloctyl)sulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (7-methyloctyl) group.
(2R)-3-(4-hydroxyphenyl)-2-(trimethylazaniumyl)propanoate
L-O,2,3-trimethyltyrosine
A non-proteinogenic L-alpha-amino acid that is L-tyrosine in which the hydrogens at positions 2 and 3 as well as the phenolic hydrogen are replaced by methyl groups.
NEOSTIGMINE
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
[(1s)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
1-[(7s,7as)-7-hydroxy-5-[(1r)-1-hydroxyethyl]-2h,3h,7h,7ah-cyclopenta[b]pyridin-1-yl]ethanone
(3s,4s)-4-ethenyl-3-ethoxy-1h,3h,4h,5h,6h-pyrano[3,4-c]pyridin-8-ol
(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecane-4,11-dione
(1r,3s,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methylbut-2-enoate
6-amino-7,8-dihydro-2-hydroxypurine; 6-n-(3-methylbutyl)
{"Ingredient_id": "HBIN012216","Ingredient_name": "6-amino-7,8-dihydro-2-hydroxypurine; 6-n-(3-methylbutyl)","Alias": "NA","Ingredient_formula": "C10H17N5O","Ingredient_Smile": "NA","Ingredient_weight": "223.27","OB_score": "NA","CAS_id": "188542-24-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7582","PubChem_id": "NA","DrugBank_id": "NA"}
