Exact Mass: 334.0566
Exact Mass Matches: 334.0566
Found 386 metabolites which its exact mass value is equals to given mass value 334.0566,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mukurozidiol
Constituent of Japanese drug byakusi obtained from Angelica subspecies Also from lemon oil and other Citrus subspecies [DFC]. (R)-Byakangelicin is found in lemon, citrus, and herbs and spices. Byakangelicin is a member of psoralens. Byakangelicin is a natural product found in Murraya koenigii, Triphasia trifolia, and other organisms with data available. (S)-Byakangelicin is found in herbs and spices. (S)-Byakangelicin is a constituent of common rue (Ruta graveolens). D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM[1]. (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM[1]. Byakangelicin, one of the active compounds found in the roots of Angelica gigas, can serve as a modulator to improve brain accumulation of diverse active compounds (Umb, Cur, and Dox) and enhance therapeutic effects[1]. Byakangelicin is likely to increase the expression of all PXR target genes (such as MDR1) and induce a wide range of agent-agent interactions. Byakangelicin can inhibit the effects of sex hormones, it may increase the catabolism of endogenous hormones[2]. Byakangelicin, one of the active compounds found in the roots of Angelica gigas, can serve as a modulator to improve brain accumulation of diverse active compounds (Umb, Cur, and Dox) and enhance therapeutic effects[1]. Byakangelicin is likely to increase the expression of all PXR target genes (such as MDR1) and induce a wide range of agent-agent interactions. Byakangelicin can inhibit the effects of sex hormones, it may increase the catabolism of endogenous hormones[2].
Penicillin G
Penicillin G is narrow spectrum antibiotic used to treat infections caused by susceptible bacteria. It is a natural penicillin antibiotic that is administered intravenously or intramuscularly due to poor oral absorption. Penicillin G may also be used in some cases as prophylaxis against susceptible organisms. Natural penicillins are considered the drugs of choice for several infections caused by susceptible gram positive aerobic organisms, such as Streptococcus pneumoniae, groups A, B, C and G streptococci, nonenterococcal group D streptococci, viridans group streptococci, and non-penicillinase producing staphylococcus. Aminoglycosides may be added for synergy against group B streptococcus (S. agalactiae), S. viridans, and Enterococcus faecalis. The natural penicillins may also be used as first or second line agents against susceptible gram positive aerobic bacilli such as Bacillus anthracis, Corynebacterium diphtheriae, and Erysipelothrix rhusiopathiae. Natural penicillins have limited activity against gram negative organisms; however, they may be used in some cases to treat infections caused by Neisseria meningitidis and Pasteurella. They are not generally used to treat anaerobic infections. Resistance patterns, susceptibility and treatment guidelines vary across regions. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CE - Beta-lactamase sensitive penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Nicotinamide ribotide
Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS β-nicotinamide mononucleotide (β-NM) is a product of the nicotinamide phosphoribosyltransferase (NAMPT) reaction and a key NAD+ intermediate. The pharmacological activities of β-nicotinamide mononucleotide include its role in cellular biochemical functions, cardioprotection, diabetes, Alzheimer's disease, and complications associated with obesity[1].
Glycerophosphoinositol
Glycerophosphoinositol (CAS: 16824-65-0), also known as 1-(sn-glycero-3-phospho)-1D-myo-inositol, is produced through deacylation by phospholipase B of the essential phospholipid phosphatidylinositol. Glycerophosphoinositols are ubiquitous phosphoinositide metabolites involved in the control of several cell functions. They exert their actions both intracellularly and by rapidly equilibrating across the plasma membrane. Their transport is mediated by the Glut2 transporter, the human ortholog of GIT1 (PMID: 17141226). Glycerophosphoinositol is a substrate for glycerophosphoinositol inositolphosphodiesterase (EC 3.1.4.43) and is involved in the following reaction: 1-(sn-glycero-3-phospho)-1D-myo-inositol + H2O = glycerol + 1D-myo-inositol 1-phosphate. It is also a substrate for glycerophosphoinositol glycerophosphodiesterase (EC 3.1.4.44) which catalyzes the chemical reaction: 1-(sn-glycero-3-phospho)-1D-myo-inositol + H2O = myo-inositol + sn-glycerol 3-phosphate. Isolated from beef liver. Glycerylphosphoinositol is found in animal foods.
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
1-alpha-D-galactosyl-sn-glycerol 3-phosphate
Chlorpromazine-N-oxide
Chlorpromazine-N-oxide is a metabolite of chlorpromazine. Chlorpromazine (as chlorpromazine hydrochloride, abbreviated CPZ; marketed in the United States as Thorazine and elsewhere as Largactil) is a typical antipsychotic. First synthesized on December 11, 1950, chlorpromazine was the first drug developed with specific antipsychotic action, and would serve as the prototype for the phenothiazine class of drugs, which later grew to comprise several other agents. (Wikipedia)
Triphenyltetrazolium chloride
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts D004396 - Coloring Agents
Lormetazepam
Lormetazepam, also known as methyllorazepam or (+-)-lorazepam, is a member of the class of compounds known as 1,4-benzodiazepines. 1,4-benzodiazepines are organic compounds containing a benzene ring fused to a 1,4-azepine. Lormetazepam is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lormetazepam can be found in potato, which makes lormetazepam a potential biomarker for the consumption of this food product. Lormetazepam is a non-carcinogenic (not listed by IARC) potentially toxic compound. Lormetazepam is a drug which is used for the treatment of short-term insomnia [l927. The Dutch, British, and French system called the System of Objectified Judgement Analysis for assessing whether drugs should be included in drug formularies based on clinical efficacy, adverse effects, pharmacokinetic properties, toxicity, and drug interactions was used to assess lormetazepam. A Dutch analysis using the system found that lormetazepam could be suitable to be included in drug prescribing formularies, although zolpidem, zopiclone, and temazepam had higher scores and thus can be seen as relatively favorable . The primary manifestation of overdosage ranges from drowsiness to coma and symptoms may include ataxia, hypotension, hypotonia, respiratory depression which may lead to death [L927]. Lormetazepam (INN, or methyl-lorazepam, is a drug which is a short to intermediate acting 3-hydroxy benzodiazepine derivative. It possesses hypnotic, anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Lormetazepam is considered a hypnotic benzodiazepine and is officially indicated for moderate to severe insomnia. Lormetazepam is a short-acting benzodiazepine and is sometimes used in patients who have difficulty in maintaining sleep or falling asleep. Hypnotics should only be used on a short-term basis or, in those with chronic insomnia, on an occasional basis. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside
(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside is found in pulses. (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside is isolated from Pisum sativum (peas Isolated from Pisum sativum (peas). (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside is found in pulses and common pea.
3,3',4',5,6,7,8-Heptahydroxyflavone
3,3,4,5,6,7,8-Heptahydroxyflavone is isolated from petals of African marigold (Tagetes erecta
hydroxychlorpromazine
hydroxychlorpromazine is a metabolite of chlorpromazine. Chlorpromazine (as chlorpromazine hydrochloride, abbreviated CPZ; marketed in the United States as Thorazine and elsewhere as Largactil) is a typical antipsychotic. First synthesized on December 11, 1950, chlorpromazine was the first drug developed with specific antipsychotic action, and would serve as the prototype for the phenothiazine class of drugs, which later grew to comprise several other agents. (Wikipedia)
Hovenitin I
Hovenitin II is a constituent of the seeds and fruit of Hovenia dulcis (raisin tree). Constituent of the seeds and fruit of Hovenia dulcis (raisin tree).
Progabide
Progabide is an analog and prodrug of gamma-aminobutyric acid. It is commonly used in the treatment of epilepsy. It has agonistic activity for both the GABAA and GABAB receptors. Progabide has been investigated for many diseases besides epilepsy, including Parkinsons disease, schizophrenia, clinical depression and anxiety disorder with varying success. Progabide is a gamma-aminobutyric acid receptor (GABA) agonist.
Xanthotoxol arabinoside
Xanthotoxol arabinoside is found in herbs and spices. Xanthotoxol arabinoside is a constituent of Ruta graveolens (rue)
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate
C12H14O9S (334.03585140000007)
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
2-Methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Valine, 3-mercapto-N-((5-oxo-2-(phenylmethyl)-4(5H)-oxazolylidene)methyl)-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(4-Sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate
C14H14N4O4S (334.07357240000005)
(5R,6S)-3-(2-Carbamoyloxyethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
1-(2,4-Dichlorobenzyl)-1H-indazole-3-carbohydrazide
Adjudin is an extensively studied male contraceptive with a superior mitochondria-inhibitory effect. Adjudin is also a potent Cl- channel blocker.
2-[(4-Benzamidophenyl)sulfonylamino]acetic acid
C15H14N2O5S (334.06233940000004)
Chlorethylclonidine
C13H17Cl3N4 (334.05187320000005)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D009676 - Noxae > D000477 - Alkylating Agents
Chlorsulfaquinoxaline
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid
Pentids
Salacinol
(2s)-7-Tert-Butyl-6-Chloro-2-(Trifluoromethyl)-2h-Chromene-3-Carboxylic Acid
NMNH
Nmnh is a member of the class of compounds known as nicotinamide nucleotides. Nicotinamide nucleotides are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof. Nmnh is soluble (in water) and a moderately acidic compound (based on its pKa). Nmnh can be found in a number of food items such as yautia, common grape, rocket salad (sspecies), and oval-leaf huckleberry, which makes nmnh a potential biomarker for the consumption of these food products.
Cedrin
Cedrin is a natural product found in Cedrus deodara with data available.
Amaronol B
(-)-2-((3,5-Dihydroxy-4-methoxyphenyl)methyl)-2,4,6-trihydroxy-3(2H)-benzofuranone is a member of aurones. Amaronol B is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available.
(8R)-8-(3-Furanyl)-4,8-dihydro-7-methyl-3H-furo[3,4:3,4]cyclohept[1,2-f]isobenzofuran-3,10(1H)-dione; Isopuberulin
cis-3,4-dihydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2H-1-Benzopyran-3,5,7-triol
Dehydrodolineone
3-[5-(2-Pyridyl)-2-thienyl]prop-2-ynyl N-phenylcarbamate
3-Nitro-2,6-bis(3-pyridyloxy)benzonitrile
C17H10N4O4 (334.07020200000005)
1,3,6-Trihydroxy-2,5,7-trimethoxy-9H-xanthene-9-one
(3R*,4R*)-3-(3,4-dihydroxybenzyl)-3,7,8-trihydroxy-4-methoxychroman|4-O-methylepihaematoxylol
(2R,3R,4R)-2,3-cis-3,4-cis-4-ethoxy-3,3,4,7,8-pentahydroxyflavan|4-Me ether-(2R,3R,4R)-3,3,4,4,7,8-Hexahydroxyflavan
cephalosol|methyl 8-hydroxy-10-methoxy-3-methyl-5,7-dioxo-5,7-dihydro-1H-furo[3,4-c]isochromen-3-yl-acetate
5alpha,6beta,7alpha,8beta-tetrahydroxy-2-<2-(2-hydroxyphenyl)ethyl>-5,6,7,8-tetrahydrochromone|5alpha,6beta,7alpha,8beta-tetrahydroxy-2-[2-(2-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromone|5??,6??,7??,8??-Tetrahydroxy-2-[2-(2-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromone
3-(2,4-dihydroxy-6-methylbenzoyloxy)-2,4-dihydroxy-6-methylbenzoic acid|papulosic acid
6-[2-(4,6-Dimethoxy-benzo[1,3]dioxol-5-yl)-ethyl]-4-methoxy-pyran-2-one
afrostyraxthioside C|methylsulfonylthiomethyl 1-thio-beta-D-glucopyranoside
Pterolinus D
An epoxide that is 7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione substituted by a methoxy group at position 4 and a propan-2-yl group at position 1 which in turn is substituted by a hydroxy group and a 3-hydroxy-4-methoxyphenyl group at position 1. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity.
(2S,5R,E)-7-hydroxy-4,6-dimethoxy-2-(1-methoxy-3-oxo-5-methylhex-1-enyl)-benzofuran-3(2H)-one
8-hydroxy-2-[1-hydroxyethyl]-5,7-dimethoxynaphtho[2,3-b] thiophene-4,9-dione
C16H14O6S (334.05110640000004)
(2S,1R)-5-hydroxy-2-(1-hydroxy-4-oxo-cyclohex-2-en-1-yl)-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one
3-[3-(alpha-hydroxy-isopropyl)-6-methoxy-2,3-dihydro-[1,4]dioxino[2,3-g]benzofuran-5-yl]-acrylic acid|3-[3-(alpha-Hydroxy-isopropyl)-6-methoxy-2,3-dihydro-[1,4]dioxino[2,3-g]benzofuran-5-yl]-acrylsaeure|Isobyakangelicolsaeure
(5S,6R,7R,8S)-2-[2-(4-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydroxy-5,6,7,8-tetrahydrochromone|aquilarone F
(3S,4S)-4,6,1?2-tetrahydroxy-7,3-dimethoxyisoflavan|abruquinone J
(2Z)-2-(4-hydroxybenzylidene)-8-methylfuro[2,3-g] [1]benzoxepine-3,10(2H,7H)-dione|damaurone E
Tri-Me ether-4-Chloro-1, 3, 6-trihydroxy-8-methylxanthone
9H-Xanthen-9-one, 1,3,8-trihydroxy-2,4,6-trimethoxy-
2-Chloro-1,3,6-trimethoxy-8-methyl-9H-xanthen-9-one
7-methoxy-6-[1,4-dihydro-3-methyl-3-ethoxy-2-hydroxy-4-oxo-1-furanyl]coumarin|micromeloside D
4(S)-hydroxy-2,3-dihydro-2H-spiro[naphthalene-1(4H),2-naphtho[1,8-de][1,3]dioxin]-5,8-dione|palmarumycin CP18
(8R)-8-(furan-3-yl)-6,8-dihydro-7-methyl-3H-furo[3,4:3,4]cyclohepta[1,2-f][2]benzofuran-3,10(1H)-dione|dugesin B
2,4,6-Trihydroxy-3-methoxy-alpha-hydroxymethyl-beta-hydroxy-alpha,beta-dihydrochalcone
Mukurozidiol
Constituent of Japanese drug byakusi obtained from Angelica subspecies Also from lemon oil and other Citrus subspecies [DFC]. (R)-Byakangelicin is found in lemon, citrus, and herbs and spices. Mukurozidiol is a member of psoralens. (Rac)-Byakangelicin is a natural product found in Ruta graveolens, Angelica, and other organisms with data available. (S)-Byakangelicin is found in herbs and spices. (S)-Byakangelicin is a constituent of common rue (Ruta graveolens). D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM[1]. (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM[1]. Byakangelicin, one of the active compounds found in the roots of Angelica gigas, can serve as a modulator to improve brain accumulation of diverse active compounds (Umb, Cur, and Dox) and enhance therapeutic effects[1]. Byakangelicin is likely to increase the expression of all PXR target genes (such as MDR1) and induce a wide range of agent-agent interactions. Byakangelicin can inhibit the effects of sex hormones, it may increase the catabolism of endogenous hormones[2]. Byakangelicin, one of the active compounds found in the roots of Angelica gigas, can serve as a modulator to improve brain accumulation of diverse active compounds (Umb, Cur, and Dox) and enhance therapeutic effects[1]. Byakangelicin is likely to increase the expression of all PXR target genes (such as MDR1) and induce a wide range of agent-agent interactions. Byakangelicin can inhibit the effects of sex hormones, it may increase the catabolism of endogenous hormones[2].
4,5-Dehydroisopsoralidin
β-Nicotinamide mononucleotide
β-nicotinamide mononucleotide (β-NM) is a product of the nicotinamide phosphoribosyltransferase (NAMPT) reaction and a key NAD+ intermediate. The pharmacological activities of β-nicotinamide mononucleotide include its role in cellular biochemical functions, cardioprotection, diabetes, Alzheimer's disease, and complications associated with obesity[1].
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
(2S,3S)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Penicillin G
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CE - Beta-lactamase sensitive penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
(2S,3S)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Nicotinamide mononucleotide
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS β-nicotinamide mononucleotide (β-NM) is a product of the nicotinamide phosphoribosyltransferase (NAMPT) reaction and a key NAD+ intermediate. The pharmacological activities of β-nicotinamide mononucleotide include its role in cellular biochemical functions, cardioprotection, diabetes, Alzheimer's disease, and complications associated with obesity[1].
Progabide
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Progabide is a gamma-aminobutyric acid receptor (GABA) agonist.
Lormetazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Benzylpenicillin
A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. Origin: Microbe; SubCategory_DNP: beta-Lactams, Penicillins
(2S,3S)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]
diflufenzopyr
C15H12F2N4O3 (334.08774259999996)
CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4268; ORIGINAL_PRECURSOR_SCAN_NO 4265 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4282; ORIGINAL_PRECURSOR_SCAN_NO 4280 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4249 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4267; ORIGINAL_PRECURSOR_SCAN_NO 4264 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4297; ORIGINAL_PRECURSOR_SCAN_NO 4294 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4294; ORIGINAL_PRECURSOR_SCAN_NO 4292 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8586; ORIGINAL_PRECURSOR_SCAN_NO 8584 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8595; ORIGINAL_PRECURSOR_SCAN_NO 8591 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8618; ORIGINAL_PRECURSOR_SCAN_NO 8614 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8648; ORIGINAL_PRECURSOR_SCAN_NO 8644 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8673; ORIGINAL_PRECURSOR_SCAN_NO 8670 CONFIDENCE standard compound; INTERNAL_ID 1038; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8633; ORIGINAL_PRECURSOR_SCAN_NO 8630
(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside
Loramet
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
4-([2,2-bithiophen]-5-yl)but-3-yne-1,2-diyl diacetate
Triflubazam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Pyrimido[4,5-g]quinazoline-4,9-dione,3,8-dihydro-5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethyl-
5-(3-BUTYLUREIDO)-2-ETHOXYBENZENESULFONYLCHLORIDE
C13H19ClN2O4S (334.07540040000004)
8-anilinonaphthalene-1-sulfonic acid,azane,hydrate
[7-chloro-5-(2-chlorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methanol
C17H16Cl2N2O (334.06396259999997)
4,4,5,5-TETRAMETHYL-2-(3-TRIFLUOROMETHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
C14H18BF3O3S (334.1021744000001)
3-[4-[(4-CHLOROBENZYL)OXY]PHENYL]-5-(CHLOROMETHYL)-1,2,4-OXADIAZOLE
5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbaldehyde
N-(4-chlorophenyl)-1-(pyrimidin-2-yl)-1H-pyrrole-2-sulfonamide
(2,4,6-TRIMETHYL-PHENOXY)-ACETICACID
C15H20Cl2O4 (334.07385800000003)
1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-2-(3,4,5-TRIMETHOXYPHENYL)-, 7-OXIDE
C16H15ClN2O4 (334.07203000000004)
3,5-BIS(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C15H8F6O2 (334.04284599999994)
(Z)-2-(2,4-DICHLORO-5-FLUORO-BENZOYL)-3-ETHOXY-ACRYLIC ACID ETHYL ESTER
Methyl 3-(trifluoromethylsulfonyloxy)-2-naphthoate
C13H9F3O5S (334.01227800000004)
(4-TERT-BUTYLPHENYL)DIPHENYLSULFONIUMTRIFLATE
C15H8F6O2 (334.04284599999994)
8-CHLORO-2-(4-ISOPROPYLTHIAZOL-2-YL)-7-METHOXYQUINOLIN-4-OL
N-(3-IODO-4-METHOXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
C11H15IN2O2 (334.01782399999996)
3-(N-ACETYL-L-CYSTEIN-S-YL)ACETAMINOPHEN SODIUM SALT
3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulphonyl)phenyl]-1H-pyrazole
4,4-((1R,2R)-1,2-DIAMINOETHANE-1,2-DIYL)DIBENZONITRILE DIHYDROCHLORIDE
6-ETHYL-7-HYDROXY-3-PHENYL-2-TRIFLUOROMETHYL-CHROMEN-4-ONE
ETHYL 2-(1-(((BENZYLOXY)CARBONYL)AMINO)ETHYL)THIAZOLE-5-CARBOXYLATE
[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane
ETHANONE, 1-[4-CHLORO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-
3-[(2-chloro-6-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
C18H16ClFO3 (334.07719480000003)
methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate
C16H14O6S (334.05110640000004)
4-(3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOL-5-YL)BENZOIC ACID
C16H9F3N2O3 (334.05652399999997)
ethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
4-Imidazolidinone, 2-(2,6-dichlorophenyl)-1-[(1R)-1-phenylethyl]-, (2R)-
C17H16Cl2N2O (334.06396259999997)
3,5-BIS(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C15H8F6O2 (334.04284599999994)
1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone
C16H19BrN2O (334.06806639999996)
Radequinil
Radequinil (AC-3933) is a benzodiazepine receptor (BzR) partial inverse agonist. AC-3933 binds to GABA(-) and GABA(+) ligand with Kis of 5.15 and 6.11 nM, respectively[1].
5-hydroxy-[1,1:3,1-terphenyl]-4,4-dicarboxylic acid
3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical
C12H21BrN3O3 (334.0766196000001)
4,4-diamino-2,2-di-(trifluoromethyl)-diphenylmethane
Propanamide, N-(4-iodo-2-methoxy-3-pyridinyl)-2,2-dimethyl-
C11H15IN2O2 (334.01782399999996)
METHYL 2-TRIFLUOROMETHANESULFONYLOXY-1-NAPHTHOATE
C13H9F3O5S (334.01227800000004)
4-(1-Allyl-7-(trifluoromethyl)-1H-indazol-3-yl)benzene-1,3-diol
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
1-(4-Bromophenyl)-3-(2-phenylethyl)thiourea
C15H15BrN2S (334.01392500000003)
1-Phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole
C17H13F3N2S (334.07514940000004)
2,3,4-Tri-O-acetyl-alpha-D-glucuronic Acid Methyl Ester
3-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid
4-(4-morpholinyl)-3-nitro-N-(2-thiazolyl)benzamide
C14H14N4O4S (334.07357240000005)
2-[(3-Methoxyphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
5-[[(5,6-Dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester
Salvileucalin B
A diterpenoid with a rearranged neo-clerodane skeleton isolated from Salvia leucantha and has been shown exhibit antineoplastic activity.
Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-3-hydroxy-
(9as)-4-Bromo-9a-Butyl-7-Hydroxy-1,2,9,9a-Tetrahydro-3h-Fluoren-3-One
C17H19BrO2 (334.05683339999996)
N-Pyridoxyl-2-methylalanine-5-phosphate
C12H19N2O7P (334.09298340000004)
Byakangelicin
Byakangelicin is a member of psoralens. Byakangelicin is a natural product found in Murraya koenigii, Triphasia trifolia, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM[1]. (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM[1]. Byakangelicin, one of the active compounds found in the roots of Angelica gigas, can serve as a modulator to improve brain accumulation of diverse active compounds (Umb, Cur, and Dox) and enhance therapeutic effects[1]. Byakangelicin is likely to increase the expression of all PXR target genes (such as MDR1) and induce a wide range of agent-agent interactions. Byakangelicin can inhibit the effects of sex hormones, it may increase the catabolism of endogenous hormones[2]. Byakangelicin, one of the active compounds found in the roots of Angelica gigas, can serve as a modulator to improve brain accumulation of diverse active compounds (Umb, Cur, and Dox) and enhance therapeutic effects[1]. Byakangelicin is likely to increase the expression of all PXR target genes (such as MDR1) and induce a wide range of agent-agent interactions. Byakangelicin can inhibit the effects of sex hormones, it may increase the catabolism of endogenous hormones[2].
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide
5-(4-chloro-2-hydroxy-phenoxy)-N-(5-methylisoxazol-3-yl)furan-2-carboxamide
[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
(5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
2,3,5-Triphenyltetrazolium chloride
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts D004396 - Coloring Agents
S-formylglutathionate(1-)
The conjugate base of S-formylglutathione having anionic carboxy groups and a protonated primary amino group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-13-olate
C15H16N3O6- (334.10390559999996)
5-Hydroxy-6,8-dimethoxy-1,4-dioxo-3-(2-oxopropyl)naphthalene-2-carboxylic acid
(4S,6S,7R,8R)-8-(carbamoyloxymethyl)-7-hydroxy-5,12-dimethyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-13-olate
C15H16N3O6- (334.10390559999996)
(2R,3R,4S,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctanoic acid
C8H15O12P (334.03011200000003)
2-hydroxy-2-[(2R,3S,4R,5S,6R)-3,4,5,6-tetrahydroxy-6-(phosphonooxymethyl)oxan-2-yl]acetic acid
C8H15O12P (334.03011200000003)
4-Chloro-6-[5-(4-Methoxyphenyl)-1,2,3-Thiadiazol-4-Yl]benzene-1,3-Diol
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide
3-Imidazo[1,2-a]pyridinyl-diphenyl-sulfanylidenephosphorane
C19H15N2PS (334.06935200000004)
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide
4-[5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
C16H9F3N2O3 (334.05652399999997)
(2s,3s)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chroman-4-one
2-(2-bromo-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
N-[(2-fluorophenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
N-[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-3-sulfanyl-D-valine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1-(1,3-Benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinamine
5-Nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester
C15H14N2O5S (334.06233940000004)
2-[2-(4-Fluoroanilino)-4-thiophen-2-yl-5-thiazolyl]acetic acid
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
2-Amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate
3-(4-Methoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinone
4-[5-[2-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
C16H9F3N2O3 (334.05652399999997)
2-[3-Phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester
6-Amino-4-(3-furanyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine
4-Methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester
N-(3-sulamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
C15H14N2O5S (334.06233940000004)
11beta,13-Dihydro-8-deoxylactucin 15-oxalate
A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydro-8-deoxylactucin. Found in chicory.
4-(4-{[(4-Aminophenyl)sulfonyl]amino}phenyl)butanoic acid
3-(2-chloro-10-oxido-10-phenothiazin-10-iumyl)-N,N-dimethyl-1-propanamine
7-demethylmitomycin A(1-)
C15H16N3O6- (334.10390559999996)
An organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin A.
7-demethylmitomycin B(1-)
C15H16N3O6- (334.10390559999996)
An organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin B.
(2S,5S,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-bromo-2-[(3-methoxyphenoxy)methyl]-1H-imidazo[4,5-b]pyridin-4-ium
C14H13BrN3O2+ (334.01910780000003)
[3-(7-Hydroxy-4-oxochromen-2-yl)phenyl] hydrogen sulate
[3-(3-Hydroxy-4-oxochromen-2-yl)phenyl] hydrogen sulate
7-Hydroxy-6-methoxy-3-(1,2,5-trihydroxy-4-oxocyclohex-2-en-1-yl)chromen-4-one
3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)chromen-4-one
[1-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-oxopropyl] hydrogen sulate
C12H14O9S (334.03585140000007)
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
6-Methoxytaxifolin
A pentahydroxyflavanone that is (+)-taxifolin substituted by a methoxy group at position 6.
1-(sn-Glycero-3-phospho)-1D-myo-inositol
A myo-inositol monophosphate derivative that is 1D-myo-inositol substituted at position 1 by an sn-glycero-3-phospho group.
Chlorpromazine N-oxide
An organochlorine compound that is chlorpromazine in which the acyclic tertiary amino group has been converted into the corresponding N-oxide.
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate
C12H14O9S (334.03585140000007)
NMNH(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of NMNH; major species at pH 7.3.
Benzylpenicillenic acid
A penicillenic acid having a benzyl substituent at the 2-position on the oxazolone ring.
BQU57
BQU57 selectively inhibits Ral, with higher selectivity than Ras or Rho. The IC50 values of BQU57 on H2122 and H358 cells are 2.0 μM and 1.3 μM respectively.
GSK-1482160
C14H14ClF3N2O2 (334.06958499999996)
GSK-1482160 is an orally available negative allosteric modulator of the P2X7 receptor. P2X7 receptors are involved in the production of pro-inflammatory cytokines, such as Il-1β, by central and peripheral immune cells. GSK-1482160 has the potential for the research of inflammation diseases[1].
H4R antagonist 1
C11H11BrN8 (334.02899859999997)
H4R antagonist 1 is a potent and highly selective histamine H4 receptor (H4R) antagonist with an IC50 of 27 nM. H4R antagonist 1 does not show any noticeable binding affinity to other subtypes of histamine receptors, H1R, H2R, and H3R[1].