Exact Mass: 334.1151206
Exact Mass Matches: 334.1151206
Found 500 metabolites which its exact mass value is equals to given mass value 334.1151206,
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].
Worenin
C20H16NO4+ (334.10792760000004)
Worenine is an alkaloid.
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
Mitomycin
Mitomycin is only found in individuals that have used or taken this drug. It is an antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional alkylating agents causing cross-linking of DNA and inhibition of DNA synthesis. [PubChem]Mitomycin is activated in vivo to a bifunctional and trifunctional alkylating agent. Binding to DNA leads to cross-linking and inhibition of DNA synthesis and function. Mitomycin is cell cycle phase-nonspecific. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D009676 - Noxae > D000477 - Alkylating Agents
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)
Glutathione episulfonium ion
C12H20N3O6S+ (334.10727600000007)
This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Pseudaminic acid
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
Neostigmine Methylsulfate
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
Triphenyltetrazolium chloride
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts D004396 - Coloring Agents
Cappariloside A
Constituent of the fruit of Capparis spinosa (caper). Cappariloside A is found in capers and herbs and spices. Cappariloside A is found in capers. Cappariloside A is a constituent of the fruit of Capparis spinosa (caper)
(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)
Lipoyllysine
lipollysine is an important lipoic acid derivative. Most alpha-lipoic acid in food is derived from lipoamide-containing enzymes and is bound to the amino acid, lysine (lipoyllysine). Animal tissues that are rich in lipoyllysine include kidney, heart, and liver, while plant sources that are rich in lipoyllysine include spinach, broccoli, and tomatoes. Somewhat lower amounts of lipoyllysine have been measured in peas, brussel sprouts, and rice bran. Lipoic acid can be found in many common foods such as potatoes, carrots, broccoli, yeasts, beets, yams, and red meat. Dietary sources of ALA include flaxseeds, flaxseed oil, canola (rapeseed) oil, soybeans and soybean oil, pumpkin seeds and pumpkin seed oil, purslane, perilla seed oil, walnuts and walnut oil. The best food sources of lipoic acid are believed to be those foods rich in mitochondria - red meat (skeletal muscle, heart, liver, kidney). Other sources are yeast, spinach, and broccoli. Lypoyllysine is involved in Lipoate metabolism pathway where lipoyllysine is undergo hydrolysis to produce liporate and l-lysine. lipollysine is an important lipoic acid derivative. Most alpha-lipoic acid in food is derived from lipoamide-containing enzymes and is bound to the amino acid, lysine (lipoyllysine). Animal tissues that are rich in lipoyllysine include kidney, heart, and liver, while plant sources that are rich in lipoyllysine include spinach, broccoli, and tomatoes. Somewhat lower amounts of lipoyllysine have been measured in peas, brussel sprouts, and rice bran. Lipoic acid can be found in many common foods such as potatoes, carrots, broccoli, yeasts, beets, yams, and red meat. Dietary sources of ALA include flaxseeds, flaxseed oil, canola (rapeseed) oil, soybeans and soybean oil, pumpkin seeds and pumpkin seed oil, purslane, perilla seed oil, walnuts and walnut oil. The best food sources of lipoic acid are believed to be those foods rich in mitochondria - red meat (skeletal muscle, heart, liver, kidney). Other sources are yeast, spinach, and broccoli.
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
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-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid
4-Oxo-enoxacin
Pentids
2,5-Dioxopyrrolidin-1-yl 4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarboxylate
2-Methyl-2-[2-[(acetyloxy)methyl]oxiranyl]-4-methoxy-5-methylphenyl ester
Combretastatin
D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents
5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
cis-3,4-dihydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-2H-1-Benzopyran-3,5,7-triol
3-(4-Hydroxy-3-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanol
3-Ethoxy-1,3-dihydro-7-methoxy-6-methyl-5-<(3-methyl-2-butenyl)oxy>-1-oxo-4-isobenzofurancarbaldehyde
(3S,5E,7R,8S,11E)-7,8,14,16-tetrahydroxy-3-methyl-3,4,7,8,9,10-hexahydro-1H-benzo[c][1]oxacyclotetradecin-1-one|Aigialomycin D
10-Deca-2t,8t-dien-4,6-diinoyloxy-dec-2t-en-4,6-diinsaeure-methylester|10-deca-2t,8t-diene-4,6-diynoyloxy-dec-2t-ene-4,6-diynoic acid methyl ester
4-[(1E)-3-(acetyloxy)prop-1-en-1-yl]-2,6-dimethoxyphenyl (2Z)-2-methylbut-2-enoate|nervolan A
4-{(1E)-2-[3,5-dihydroxy-2-(phenylmethyl)phenyl]ethenyl}benzene-1,2-diol|gnetumelin A
(3R*,4R*)-3-(3,4-dihydroxybenzyl)-3,7,8-trihydroxy-4-methoxychroman|4-O-methylepihaematoxylol
threo-2,3-bis-(4-hydroxy-3-methoxyphenyl)-3-methoxypropanol
(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
Desacylcynaropicrin-(epoxi-alpha-methacrylat)|Desacylcynaropicrin-
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
10alpha-hydroxy-6beta-propionyloxy-1-oxoeremophila-7(11),8-dieno-12,8-lactone
2-(4-Hydroxy-3-methoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanol
2-[(2S*,3S*)-6-O-acetyl-2,3-dihydro-3,5-dihydroxy-1-benzofuran-2-yl]prop-2-enyl 3-methylbutanoate
6-[2-(4,6-Dimethoxy-benzo[1,3]dioxol-5-yl)-ethyl]-4-methoxy-pyran-2-one
3-(Methylthio)-3-[4-(prenyloxy)benzyl]piperazine-2,5-dione
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.
chermesinone C
An azaphilone that is 9a,9b-dihydro-1H-furo[2,3-h]isochromene-6,8(6aH,9H)-dione substituted by a hydroxy group at position 1, methyl groups at positions 3 and 6a and a 2-methylbutanoyl group at position 9. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.
2,6-dimethoxy-p-hydroquinone 1-O-beta-D-glucoside|2,6-dimethoxyhydroquinone 1-O-beta-D-glucoside
(1R,2S)-1-(p-hydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-hydroxyethanoxy)propanol|carayensin-A
(1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
(2S,5R,E)-7-hydroxy-4,6-dimethoxy-2-(1-methoxy-3-oxo-5-methylhex-1-enyl)-benzofuran-3(2H)-one
(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
5-hydroxyl-2,6-dimethoxy-9-phenyl-phenalen-1-one|haemoxiphidone
(3S,4S)-4,6,1?2-tetrahydroxy-7,3-dimethoxyisoflavan|abruquinone J
(16E,19S)-16-carboxy-17,19-epoxy-coryna-3,5,16-trienium betaine|(16E,19S)-16-Carboxy-17,19-epoxy-coryna-3,5,16-trienium-betain|serpentinic acid
2,5-dimethyl-3-O-beta-D-glucopyranosylnaphthol|2,5-Dimethyl-3-O-??-D-glucopyranosylnaphthol
6-O-beta-D-glucopyranosyl-indole-3-acetonitrile|Indole-3-acetonitrile-6-O-??-D-glucopyranoside
7-methoxy-6-[1,4-dihydro-3-methyl-3-ethoxy-2-hydroxy-4-oxo-1-furanyl]coumarin|micromeloside D
(3Z,6Z)-3-benzylidene-6-(4-methoxybenzylidene)-1-methyl-2,5-piperazine dione|(3Z,6Z)-3-Benzylidene-6-(4-methoxybenzylidene)-1-methyl-2,5-piperazinedione|(3Z,6Z)-3-benzylidene-6-(4-methoxybenzylidene)-1-methylpiperazine-2,5-dione|XR-330
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].
3-(4-Methoxy-benzylidene)-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-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
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
Ala Ala Ala Cys
C12H22N4O5S (334.13108420000003)
Ala Ala Cys Ala
C12H22N4O5S (334.13108420000003)
Ala Cys Ala Ala
C12H22N4O5S (334.13108420000003)
Ala Gly Gly Met
C12H22N4O5S (334.13108420000003)
Ala Gly Met Gly
C12H22N4O5S (334.13108420000003)
Ala Met Gly Gly
C12H22N4O5S (334.13108420000003)
Cys Ala Ala Ala
C12H22N4O5S (334.13108420000003)
Cys Gly Gly Val
C12H22N4O5S (334.13108420000003)
Cys Gly Val Gly
C12H22N4O5S (334.13108420000003)
Cys Val Gly Gly
C12H22N4O5S (334.13108420000003)
Asp Gly Gly Ser
Asp Gly Ser Gly
Asp Ser Gly Gly
Gly Ala Gly Met
C12H22N4O5S (334.13108420000003)
Gly Ala Met Gly
C12H22N4O5S (334.13108420000003)
Gly Cys Gly Val
C12H22N4O5S (334.13108420000003)
Gly Cys Val Gly
C12H22N4O5S (334.13108420000003)
Gly Asp Gly Ser
Gly Asp Ser Gly
Gly Gly Ala Met
C12H22N4O5S (334.13108420000003)
Gly Gly Cys Val
C12H22N4O5S (334.13108420000003)
Gly Gly Asp Ser
Gly Gly Met Ala
C12H22N4O5S (334.13108420000003)
Gly Gly Ser Asp
Gly Gly Val Cys
C12H22N4O5S (334.13108420000003)
Gly Met Ala Gly
C12H22N4O5S (334.13108420000003)
Gly Met Gly Ala
C12H22N4O5S (334.13108420000003)
Gly Ser Asp Gly
Gly Ser Gly Asp
Gly Val Cys Gly
C12H22N4O5S (334.13108420000003)
Gly Val Gly Cys
C12H22N4O5S (334.13108420000003)
Met Ala Gly Gly
C12H22N4O5S (334.13108420000003)
Met Gly Ala Gly
C12H22N4O5S (334.13108420000003)
Met Gly Gly Ala
C12H22N4O5S (334.13108420000003)
Ser Asp Gly Gly
Ser Gly Asp Gly
Ser Gly Gly Asp
Val Cys Gly Gly
C12H22N4O5S (334.13108420000003)
Val Gly Cys Gly
C12H22N4O5S (334.13108420000003)
Val Gly Gly Cys
C12H22N4O5S (334.13108420000003)
(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
Urea, N-(4-fluorophenyl)-N-[(tetrahydro-2-furanyl)methyl]-N-(2-thienylmethyl)- (9CI)
2-METHYL-N-(1R-NAPHTHALEN-1-YL-ETHYL)-5-NITRO-BENZAMIDE
4,4,5,5-TETRAMETHYL-2-(3-TRIFLUOROMETHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
C14H18BF3O3S (334.1021744000001)
ethyl 2-[3-amino-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
N-[(2,6-dimethylphenyl)carbamoyl]-3-hydroxynaphthalene-2-carboxamide
1-(Phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
C15H19BN2O4S (334.11585240000005)
1-Ethyl-3-[[4-(m-toluidino)-3-pyridyl]sulfonyl]urea
2-acetamido-4,6-o-benzylidene-2-deoxy-beta-d-glucopyranosyl azide
ETHYL 2-(1-(((BENZYLOXY)CARBONYL)AMINO)ETHYL)THIAZOLE-5-CARBOXYLATE
[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane
1-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine Hydrochloride
C18H23ClN2S (334.12703880000004)
1,7-Divinyl-1,1,3,3,5,5,7,7-Octamethyl Tetrasiloxane
C12H30O3Si4 (334.12719500000003)
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].
N-(3-PHENYL-4,5,6,7-TETRAHYDRO-3H-BENZOTHIAZOL-2-YLIDENE)-BENZAMIDE
4,4-diamino-2,2-di-(trifluoromethyl)-diphenylmethane
4-(1-Allyl-7-(trifluoromethyl)-1H-indazol-3-yl)benzene-1,3-diol
Thiazolyl Blue cation
C18H16N5S+ (334.11263560000003)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts D004396 - Coloring Agents
4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
Psora-4
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
4-Oxo-enoxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
4-ethoxy-2,3,5-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
N(6)-lipoyl-L-lysine
An N(6)-acyl-L-lysine where the N(6)-acyl group is lipoyl.
2,3,4-Tri-O-acetyl-alpha-D-glucuronic Acid Methyl Ester
3-Chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dione
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
2-[(3-Methoxyphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-3-hydroxy-
N-Pyridoxyl-2-methylalanine-5-phosphate
C12H19N2O7P (334.09298340000004)
1-[2-(4-Ethoxy-3-fluoropyridin-2-YL)ethyl]-3-(5-methylpyridin-2-YL)thiourea
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].
(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
(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)
[(3S,4R)-4-(6-methyloctanoyl)-5-oxooxolan-3-yl]methyl phosphate
(2R,4S,5S,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
(2S,4R,5R,6S)-5-acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
(2S,4R,5R,6S)-5-acetamido-6-[(1S,2R)-1-acetamido-2-hydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
[4-(6-methyloctanoyl)-5-oxo-2H-furan-3-yl]methyl dihydrogen phosphate
(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)
2-[[4-(4-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
C15H19ClN6O (334.13087939999997)
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide
(3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
2-[[4-(2-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
C15H19ClN6O (334.13087939999997)
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
3,3-Dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinamine
3-(2-Ethylhexyl)-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid phenethyl-amide
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
6-(3,4,5-Triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-methyl-2-pyrazinecarboxamide
4-[[4-(Ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester
3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanone
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
[(6R,7S,8R)-11-Amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
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
4-[(E)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
[(4S,6S,7S,8S)-11-Amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
(2Z)-2-(3-hydroxy-4-methoxybenzylidene)-3-(4-methoxybenzyl)butanedinitrile
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.
beta-(N(pros)-L-histidino)-L-tyrosine
An L-tyrosine in which one of the beta-hydrogens in L-tyrosine is replaced by a L-histidino group joined via the N(pros)-position.
(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
2-methoxy-4-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
4-formamido-alpha-D-threo-pentopyranosyl-(1->3)-4-formamido-alpha-D-rhamnopyranose
2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
[(4S,6S,7R)-11-amino-13-hydroxy-7-methoxy-12-methyl-10-oxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),8,11-trien-8-yl]methyl carbamate
(3Z,11aS)-3-[(4-methoxyphenyl)methylidene]-11,11a-dihydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
Mitomycin
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D009676 - Noxae > D000477 - Alkylating Agents
Chlorpromazine N-oxide
An organochlorine compound that is chlorpromazine in which the acyclic tertiary amino group has been converted into the corresponding N-oxide.
(2R)-2-amino-6-[5-(1,2-dithiolan-3-yl)pentanamido]hexanoic acid
Benzylpenicillenic acid
A penicillenic acid having a benzyl substituent at the 2-position on the oxazolone ring.
NK372135C
A dinitrile that is butanedinitrile substituted by 3-hydroxy-4-methoxybenzylidene and 4-methoxybenzyl groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity.
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.
LY2794193
LY2794193 is a highly potent and selective mGlu3 receptor agonist (hmGlu3 Ki=0.927 nM，EC50=0.47 nM; hmGlu2 Ki=412 nM，EC50=47.5 nM)[1].
(2s,3r,4s,5s,6r)-2-{[(1s,6r)-4-hydroxy-2,6-dimethoxycyclohexa-2,4-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(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
3-chloro-2-ethenyl-2,6-dimethyl-1h,3h,4h,7h-cyclohexa[c]carbazole-1-carbonitrile
C21H19ClN2 (334.12366840000004)
(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
4-[(2r)-2,3-dihydroxy-3-methylbutoxy]-9-methoxyfuro[3,2-g]chromen-7-one
2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h-indol-3-yl)acetonitrile
(1s,2s,3r)-3-chloro-2-ethenyl-2,6-dimethyl-1h,3h,4h,7h-cyclohexa[c]carbazole-1-carbonitrile
C21H19ClN2 (334.12366840000004)
(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
(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-ethoxy-3,4-dihydro-2h-1-benzopyran-3,7,8-triol
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
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
6-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
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"}
6-hydroxy-1h-indole-3-acetic acid; nitrile,o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN012382","Ingredient_name": "6-hydroxy-1h-indole-3-acetic acid; nitrile,o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H18N2O6","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7556","PubChem_id": "NA","DrugBank_id": "NA"}
9-methoxy-4-(1,2,3-trihydroxy-3-methylbutyl)furo[3,2-g]chromen-7-one
(2s,5r,6r)-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4,5-dihydroxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-one
(1r,2r,6s,8s,10s,12s)-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
(1s,4s,6r,7r,13r,14s)-6,11-dimethyl-16-oxo-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadeca-8(12),10-dien-7-yl acetate
(2r)-5,10-dihydroxy-2-[(2s)-2-hydroxypropyl]-8-methoxy-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione
7-methyl-5,12-dimethylidene-7-(oxiran-2-yl)-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]dodecan-8-yl acetate
6,9-dihydroxy-7,8-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
(1r,4r,6s,7r,13s,14r)-6,11-dimethyl-16-oxo-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadeca-8(12),10-dien-7-yl acetate
(1r,2r,3r,4s)-1,2,3,5-tetrahydroxy-7-methoxy-2,4-dimethyl-3,4-dihydro-1h-anthracene-9,10-dione
24-methyl-5,7,17,19-tetraoxa-13λ⁵-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2,4(8),9,13,15,20,22-octaen-13-ylium
[C20H16NO4]+ (334.10792760000004)