Exact Mass: 334.0707
Exact Mass Matches: 334.0707
Found 500 metabolites which its exact mass value is equals to given mass value 334.0707,
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
(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.
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
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
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.
Chlorethylclonidine
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D009676 - Noxae > D000477 - Alkylating Agents
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid
Pentids
(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.
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
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
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
(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.
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
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
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-
8-anilinonaphthalene-1-sulfonic acid,azane,hydrate
[7-chloro-5-(2-chlorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methanol
4,4,5,5-TETRAMETHYL-2-(3-TRIFLUOROMETHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-2-(3,4,5-TRIMETHOXYPHENYL)-, 7-OXIDE
3,5-BIS(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
8-CHLORO-2-(4-ISOPROPYLTHIAZOL-2-YL)-7-METHOXYQUINOLIN-4-OL
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
3-[(2-chloro-6-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate
4-(3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOL-5-YL)BENZOIC ACID
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)-
3,5-BIS(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone
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
4,4-diamino-2,2-di-(trifluoromethyl)-diphenylmethane
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-Phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole
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
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
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
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
3-Imidazo[1,2-a]pyridinyl-diphenyl-sulfanylidenephosphorane
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide
4-[5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
(2s,3s)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chroman-4-one
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
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
2-[3-Phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester
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
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-)
An organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin A.
7-demethylmitomycin B(1-)
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
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
(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
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
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].
2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one
(2r,3r,4ar)-2,7-dihydroxy-9-methoxy-4a-methyl-6-oxo-2h,3h,4h-benzo[c]chromen-3-yl acetate
6-ethyl-4',5-dihydroxy-2,7-dimethoxyspiro[naphthalene-1,2'-oxolane]-4,5'-dione
1,4,8,9-tetrahydroxy-1h,2h,12ch-benzo[j]fluoranthen-3-one
methyl (5r,5as)-5,10,11-trihydroxy-8-methyl-1-oxo-5h-oxepino[4,3-b]chromene-5a-carboxylate
(1r,3s)-7,10-dihydroxy-5,8-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
3,7-dihydroxy-9-methoxy-4a-methyl-6-oxo-2h,3h,4h-benzo[c]chromen-2-yl acetate
13-bromo-4-methyl-4,10-diazatetracyclo[8.6.1.0⁵,¹⁷.0¹¹,¹⁶]heptadeca-1(17),11,13,15-tetraen-9-ol
4-[(2r)-2,3-dihydroxy-3-methylbutoxy]-9-methoxyfuro[3,2-g]chromen-7-one
10-bromo-2-chloro-3,7,11,11-tetramethylspiro[5.5]undec-7-en-3-ol
2,7b-dihydro-1ah-2',4'-dioxaspiro[naphtho[1,2-b]oxirene-3,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-2,7-diol
(1s,2s,6r,8s,10s,12r)-8-methyl-3-methylidene-4,14-dioxo-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-en-12-yl acetate
(13r)-13-(furan-3-yl)-11-methyl-4,14-dioxatetracyclo[8.7.0.0²,⁶.0¹²,¹⁶]heptadeca-1(17),2(6),8,10,12(16)-pentaene-5,15-dione
(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-ethoxy-3,4-dihydro-2h-1-benzopyran-3,7,8-triol
3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl 3,4-dihydroxybenzoate
6-[(2r)-2,3-dihydroxy-3-methylbutoxy]-5-methoxyfuro[2,3-h]chromen-2-one
3-ethoxy-5,10-dihydroxy-7-methoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-6,9-dione
(1r,2r,3'r,4s,4'r)-3'-bromo-4'-chloro-1,3,3,4'-tetramethyl-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane]
9-hydroxy-8-methyl-3-methylidene-4,13-dioxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-dien-11-yl acetate
4,5,7-trihydroxy-6-methoxy-3-(3-oxohexyl)naphthalene-1,2-dione
n-[(4s)-4-(5-bromo-1h-indol-3-yl)-3,4,5,6-tetrahydropyrimidin-2-yl]ethanimidic acid
(1r,2r,3r,3'r,4s,4'r)-3'-bromo-4'-chloro-1,3,4,4'-tetramethyl-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane]
methyl 5,10,11-trihydroxy-4-methyl-1-oxo-5h-oxepino[4,3-b]chromene-5a-carboxylate
(1s,4s,8r,9s)-2',4',11-trioxaspiro[tricyclo[6.2.1.0⁴,⁹]undecane-10,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',6,7',9',11'-hexaene-3,5-dione
6,9-dihydroxy-2-(2-hydroxypropyl)-8-methoxy-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione
5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(2'-hydroxy phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah23)
{"Ingredient_id": "HBIN011381","Ingredient_name": "5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(2'-hydroxy phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah23)","Alias": "NA","Ingredient_formula": "C17H18O7","Ingredient_Smile": "C1=CC=C(C(=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32033","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
