Exact Mass: 399.123
Exact Mass Matches: 399.123
Found 382 metabolites which its exact mass value is equals to given mass value 399.123,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Colchicine
Colchicine appears as odorless or nearly odorless pale yellow needles or powder that darkens on exposure to light. Used to treat gouty arthritis, pseudogout, sarcoidal arthritis and calcific tendinitis. (EPA, 1998) (S)-colchicine is a colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. It has a role as a mutagen, an anti-inflammatory agent and a gout suppressant. It is a colchicine and an alkaloid. It is an enantiomer of a (R)-colchicine. Colchicine is an Alkaloid. Colchicine is a plant alkaloid that is widely used for treatment of gout. Colchicine has not been associated with acute liver injury or liver test abnormalities except with serious overdoses. Colchicine is a natural product found in Colchicum arenarium, Colchicum bivonae, and other organisms with data available. Colchicine is an alkaloid isolated from Colchicum autumnale with anti-gout and anti-inflammatory activities. The exact mechanism of action by which colchicines exerts its effect has not been completely established. Colchicine binds to tubulin, thereby interfering with the polymerization of tubulin, interrupting microtubule dynamics, and disrupting mitosis. This leads to an inhibition of migration of leukocytes and other inflammatory cells, thereby reducing the inflammatory response to deposited urate crystals. Colchicine may also interrupt the cycle of monosodium urate crystal deposition in joint tissues, thereby also preventing the resultant inflammatory response. Overall, colchicine decreases leukocyte chemotaxis/migration and phagocytosis to inflamed areas, and inhibits the formation and release of a chemotactic glycoprotein that is produced during phagocytosis of urate crystals. A major alkaloid from Colchicum autumnale L. and found also in other Colchicum species. Its primary therapeutic use is in the treatment of gout, but it has been used also in the therapy of familial Mediterranean fever (PERIODIC DISEASE). See also: Colchicine; probenecid (component of). Colchicine is only found in individuals that have used or taken this drug. It is a major alkaloid from Colchicum autumnale L. and found also in other Colchicum species. Its primary therapeutic use is in the treatment of gout, but it has been used also in the therapy of familial Mediterranean fever (periodic disease). [PubChem]The precise mechanism of action has not been completely established. In patients with gout, colchicine apparently interrupts the cycle of monosodium urate crystal deposition in joint tissues and the resultant inflammatory response that initiates and sustains an acute attack. Colchicine decreases leukocyte chemotaxis and phagocytosis and inhibits the formation and release of a chemotactic glycoprotein that is produced during phagocytosis of urate crystals. Colchicine also inhibits urate crystal deposition, which is enhanced by a low pH in the tissues, probably by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. Colchicine has no analgesic or antihyperuricemic activity. Colchicine inhibits microtubule assembly in various cells, including leukocytes, probably by binding to and interfering with polymerization of the microtubule subunit tubulin. Although some studies have found that this action probably does not contribute significantly to colchicines antigout action, a recent in vitro study has shown that it may be at least partially involved. CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7704; ORIGINAL_PRECURSOR_SCAN_NO 7702 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7690; ORIGINAL_PRECURSOR_SCAN_NO 7687 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7668; ORIGINAL_PRECURSOR_SCAN_NO 7666 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7693; ORIGINAL_PRECURSOR_SCAN_NO 7689 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7645; ORIGINAL_PRECURSOR_SCAN_NO 7643 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7687; ORIGINAL_PRECURSOR_SCAN_NO 7684 M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D018501 - Antirheumatic Agents > D006074 - Gout Suppressants CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2258 INTERNAL_ID 2258; CONFIDENCE Reference Standard (Level 1) [Raw Data] CB194_Colchicine_pos_30eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_50eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_10eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_20eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_40eV_CB000068.txt CONFIDENCE standard compound; INTERNAL_ID 1171 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4]. Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4].
Difloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3666 CONFIDENCE standard compound; INTERNAL_ID 1028
Nocardicin E
Narcotoline
Narcotoline is found in opium poppy. Narcotoline is an alkaloid from straw of Papaver somniferum (opium poppy) Narcotoline is an opiate alkaloid chemically related to noscapine. It binds to the same receptors in the brain as noscapine to act as an antitussive, and has also been used in tissue culture media. It can be obtained from the opium poppy Papaver somniferum. It is present at much higher levels in strains used for culinary purposes (poppyseed production) than in high-morphine strains used for opium production. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Alkaloid from straw of Papaver somniferum (opium poppy)
Oxmetidine
Oxmetidine belongs to the family of Benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
N-Formyldemecolcine
N-Methyl-N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]formamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=14686-61-4 (retrieved 2024-11-28) (CAS RN: 14686-61-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(2aS,3R,4S,5aS,7R)-7-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate
S-Adenosylmethionine
S-adenosylmethionine, also known as sam or adomet, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosylmethionine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). S-adenosylmethionine can be found in a number of food items such as common grape, half-highbush blueberry, jerusalem artichoke, and thistle, which makes S-adenosylmethionine a potential biomarker for the consumption of these food products. S-adenosylmethionine can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout most human tissues. S-adenosylmethionine exists in all eukaryotes, ranging from yeast to humans. In humans, S-adenosylmethionine is involved in several metabolic pathways, some of which include phosphatidylcholine biosynthesis PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), phosphatidylcholine biosynthesis PC(22:0/18:3(9Z,12Z,15Z)), phosphatidylcholine biosynthesis PC(24:0/24:0), and phosphatidylcholine biosynthesis PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0). S-adenosylmethionine is also involved in several metabolic disorders, some of which include methylenetetrahydrofolate reductase deficiency (MTHFRD), 3-phosphoglycerate dehydrogenase deficiency, monoamine oxidase-a deficiency (MAO-A), and aromatic l-aminoacid decarboxylase deficiency. Moreover, S-adenosylmethionine is found to be associated with diabetes mellitus type 2 and neurodegenerative disease. S-adenosylmethionine is a non-carcinogenic (not listed by IARC) potentially toxic compound. S-Adenosyl methionine is a common cosubstrate involved in methyl group transfers, transsulfuration, and aminopropylation. Although these anabolic reactions occur throughout the body, most SAM-e is produced and consumed in the liver. More than 40 methyl transfers from SAM-e are known, to various substrates such as nucleic acids, proteins, lipids and secondary metabolites. It is made from adenosine triphosphate (ATP) and methionine by methionine adenosyltransferase (EC 2.5.1.6). SAM was first discovered by Giulio Cantoni in 1952 . Significant first-pass metabolism in the liver. Approximately 50\\\% of S-Adenosylmethionine (SAMe) is metabolized in the liver. SAMe is metabolized to S-adenosylhomocysteine, which is then metabolized to homocysteine. Homocysteine can either be metabolized to cystathionine and then cysteine or to methionine. The cofactor in the metabolism of homocysteine to cysteine is vitamin B6. Cofactors for the metabolism of homocysteine to methionine are folic acid, vitamin B12 and betaine (T3DB). S-Adenosylmethionine (CAS: 29908-03-0), also known as SAM or AdoMet, is a physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in the treatment of chronic liver disease (From Merck, 11th ed). S-Adenosylmethionine is a natural substance present in the cells of the body. It plays a crucial biochemical role by donating a one-carbon methyl group in a process called transmethylation. S-Adenosylmethionine, formed from the reaction of L-methionine and adenosine triphosphate catalyzed by the enzyme S-adenosylmethionine synthetase, is the methyl-group donor in the biosynthesis of both DNA and RNA nucleic acids, phospholipids, proteins, epinephrine, melatonin, creatine, and other molecules.
Niaziminin
Niaziminin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niaziminin (niaziminin A and niaziminin B, respectively) differ in the orientation of the NH group with respect to sulfur. Niaziminin is the 4-O-acetyl derivative of niazimicin.
Adlumidiceine
Adlumidiceine is an alkaloid from Papaver rhoeas (corn poppy). Alkaloid from Papaver rhoeas (corn poppy)
Pipazethate
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants Pipazethate is only found in individuals that have used or taken this drug.It is a non-narcotic oral antitussive agent. C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant)
alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant) is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
AB-MECA
7-(Tert-Butyl)-3-(2,5-difluorophenyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-[1,2,4]triazolo[4,3-b]pyridazine
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists L-838417 is a selective partial agonist at the α2, α3 and α5 subtypes of the GABAA receptor and an antagonist at the α1, with binding Ki values of 0.79 nM, 0.67 nM, 1.67 nM, 267 nM, 2.25 nM and 2183 nM for α1β3γ2, α2β3γ2, α3β3γ2, α4β3γ2, α5β3γ2 and α6β3γ2[1].
2-Imidazolidinone, 1-(3,5-dichlorophenyl)-3-(2-(1,4-dioxa-8-azaspiro(4.5)dec-8-yl)ethyl)-
beta-Lumicolchicine
1H-Indole-2-carboxamide, 5-chloro-N-((1S,2R)-3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-
Deferitazole
N6-Monobutyryl-cAMP
Quetiapine Sulfoxide
5,6,7,7a-Tetrahydro-10-hydroxy-4,11-dimethoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-7-carboxylic acid methyl ester
1-Methoxyallocryptopine
6-[(R)-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl](hydroxy)methyl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
3-Carbamoyl-acetyl-9-methyl-10-oxo-4,5,9-trihydroxy-9,10-dihydroanthracen-2-essigsaeure
(+-)-Prepseudopalmanine|8,13-dioxo-13a-hydroxy-2,3,10,11-tetramethoxyberbine|prepseudopalmanine
N-(4-methoxy-trans-cinnamoyl)-3-(3,4-dimethoxyphenyl)-L-alanine methyl ester
(+)-N-(methoxy-carbonyl)-N-norglaucine|(+)-N-(methoxycarbonyl)-N-norglaucine
4,9,10-Trimethoxy-5-(2-methylamino-aethyl)-phenanthro[3,4-d][1,3]dioxol-6,7-dion|4,9,10-trimethoxy-5-(2-methylamino-ethyl)-phenanthro[3,4-d][1,3]dioxole-6,7-dione
(6R)-7t-((R)-5-acetylamino-5-carboxy-pentanoylamino)-3-methyl-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|Deacetoxycephalosporin C-N-Ac|N-Acetyldeacetoxycephalosporin C
7-[(2-Carboxy-1-pyrrolidinyl)methyl]-5,6-dihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4,8,9-trione
(10,11,14-trimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-9-yl)-methanol|Mecambridin|Mecambridin od. Oreophilin|Oreophilin
deoxycylindrospermopsin
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer). A non-toxic analogue of the cyanotoxins cylindrospermopsin and 7-epi-cylindrospermopsin (the latter two have a hydroxy group attached to the carbon adjacent to the uracil ring), it is produced by several species of freshwater cyanobacteria, such as Cylindrospermopsis raciborskii.
beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-glycyl]glucopyranoside
2-O-(alpha-D-glucopyranosyl)biopterin|2-Amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-on|2-amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-one
L-Valine, 3-hydroxy-,(6-carboxy-4-methoxy-1-phenazinyl)methyl ester (9CI)
Colchicine
An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum. Colchicine appears as odorless or nearly odorless pale yellow needles or powder that darkens on exposure to light. Used to treat gouty arthritis, pseudogout, sarcoidal arthritis and calcific tendinitis. (EPA, 1998) (S)-colchicine is a colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. It has a role as a mutagen, an anti-inflammatory agent and a gout suppressant. It is a colchicine and an alkaloid. It is an enantiomer of a (R)-colchicine. Colchicine is an Alkaloid. Colchicine is a plant alkaloid that is widely used for treatment of gout. Colchicine has not been associated with acute liver injury or liver test abnormalities except with serious overdoses. Colchicine is a natural product found in Colchicum arenarium, Colchicum bivonae, and other organisms with data available. Colchicine is an alkaloid isolated from Colchicum autumnale with anti-gout and anti-inflammatory activities. The exact mechanism of action by which colchicines exerts its effect has not been completely established. Colchicine binds to tubulin, thereby interfering with the polymerization of tubulin, interrupting microtubule dynamics, and disrupting mitosis. This leads to an inhibition of migration of leukocytes and other inflammatory cells, thereby reducing the inflammatory response to deposited urate crystals. Colchicine may also interrupt the cycle of monosodium urate crystal deposition in joint tissues, thereby also preventing the resultant inflammatory response. Overall, colchicine decreases leukocyte chemotaxis/migration and phagocytosis to inflamed areas, and inhibits the formation and release of a chemotactic glycoprotein that is produced during phagocytosis of urate crystals. A major alkaloid from Colchicum autumnale L. and found also in other Colchicum species. Its primary therapeutic use is in the treatment of gout, but it has been used also in the therapy of familial Mediterranean fever (PERIODIC DISEASE). See also: Colchicine; probenecid (component of). A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D018501 - Antirheumatic Agents > D006074 - Gout Suppressants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2258 CONFIDENCE standard compound; INTERNAL_ID 1172 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.982 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.979 Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4]. Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4].
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based: Match]
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based on: CCMSLIB00000845970]
N-(3-Phthalimido-2-(R)-hydroxypropyl)-3-fluoro-4-(morpholinyl)aniline
Pipazetate
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant)
adlumidiceine
6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexyl nitrate
(s)-(+)-1-(alpha-aminobenzyl)-2-naphthol tartarate
Acetamide, N-(3-acetylphenyl)-2-[(5-ethyl-2,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]- (9CI)
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl](4-phenyl-1 -piperazinyl)methanone
2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-
Urea, N-[(2-chloro-6-methoxy-3-quinolinyl)methyl]-N-(2-methoxyethyl)-N-phenyl- (9CI)
4-(3,5-BIS-TRIMETHYLSILANYL-BENZOYLAMINO)-BENZOIC ACID METHYL ESTER
benzyl 2-acetamido-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside
(2R)-2-BOC-AMINO-3-PHENYLSULFONYL-1-(2-TETRAHYDROPYRANYLOXY)PROPANE
(R)-(-)-1-(α-aminobenzyl)-2-naphthol tartarate(salt)
1-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)PIPERIDINE
4-(2-methylimidazole -1-yl)-2,2-diphenylbutyronitrile phosphate
Rufloxacin hydrochloride
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones D004791 - Enzyme Inhibitors
2-(Aminomethyl)cyclobutyl]methanamine 2-hydroxypropanoic acid platinum salt
(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-Oxathiolane-2-carboxylic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
1-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
Methyl 2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylate
7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine
(2R,4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
Methanone, [4-(3-chlorophenyl)-1-piperazinyl][3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]
Methyl 5-N,4-O-Carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-beta-D-galacto-2-nonulopyranosylonate
enoxastrobin
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins
fmoc-d-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
(4S,5R)-3-tert-butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid
4-{4-Amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy}-3,5-dimethylb enzonitrile
Vactosertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid
(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (FCME)
(R)-(-)-mandelic acid salt of (R)-methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate
VT-464
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C471 - Enzyme Inhibitor > C147923 - CYP17A1 Inhibitor D000970 - Antineoplastic Agents
(Z)-methyl 3-(((4-(methylamino)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
1-ethyl-2-methylnaphtho[1,2-d]thiazolium toluene-p-sulphonate
BENZYL 2-AMINO-5-(BENZYLOXY)-4-METHOXYBENZOATE HYDROCHLORIDE
N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
COVID info from DrugBank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Arbaclofen placarbil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2199 - Adjuvant Analgesic D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents
3-Furancarboxamide, 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-yl]-
C274 - Antineoplastic Agent > C2196 - Antimetastatic Agent
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
N-(3-Tert-butyl-1H-pyrazol-5-YL)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
Bucindolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(-)-1,2,3,4-tetrahydro-1-(3,4,5-Trimethoxybenzyl)isoquinoline-6,7-diol hydrochloride monohydrate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
S-Adenosyl-L-methionine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Dihydrocodeine phosphate
6-epikarpoxanthin is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. 6-epikarpoxanthin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-epikarpoxanthin can be found in a number of food items such as italian sweet red pepper, herbs and spices, fruits, and orange bell pepper, which makes 6-epikarpoxanthin a potential biomarker for the consumption of these food products.
2,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide
5-(3,4-Dimethoxyphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate
2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-[N-methyl-1-(2-phenyl-2H-1,2,3-triazol-4-yl)formamido]acetamide
(4-Bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone
(1R)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid
(1S)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid
Difloxacin
A quinolone that is pefloxacin in which the ethyl group at position 1 of the quinolone has been replaced by a p-fluorophenyl group. A broad-spectrum antibiotic effective against both Gram-positive and Gram-negative bacteria, it is used (usually as the monohydrochloride salt) for the treatment of bacterial infections in dogs. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Pipazethate
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
Carbonimidothioic acid, [[4-[(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl]methyl]-, O-ethyl ester, (E)-
(1R,2R)-cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
D000970 - Antineoplastic Agents
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
[(3S)-3-Amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium
3-[(2,5-dichlorophenoxy)methyl]-N-(2,6-dimethylphenyl)benzamide
1-[2,5-Difluoro-3,4-bis(phenylmethoxy)phenyl]-2-(methylamino)ethanol
5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
N-(2,5-dimethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide
(R)-2-(3-((3-Fluoro-4-morpholinophenyl)amino)-2-hydroxypropyl)isoindoline-1,3-dione
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-2,4-dioxobutanamide
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide
5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)benzamide
3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
ethyl 2,4-dimethyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate
2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
3-ethyl-1-(2-furanylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea
(5Z)-3-(2-ethylhexyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
N-[(E)-(1-benzyl-1H-indol-3-yl)methylidene]-4-hydroxy-3-methoxybenzohydrazide
4-fluorobenzyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate
(+)-[6]-Gingerol; (S)-(+)-[6]Gingerol; (S)-[6]Gingerol
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-2-methyl-1-piperazinyl]methanone
2-thiophen-2-yl-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
(2S,3S,3aR,9bR)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S,9R,10R,11R)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S,3S,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1R,9S,10S,11S)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
2-aminoethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid
2-aminoethyl 4-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside
4-(2,5-Dimethylbenzoyl)-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-N-hydroxyoctanediamide
Ethyl 3-[(2-chlorophenyl)diazenyl]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
2-imino-2-methoxyethyl alpha-D-arabinofuranosyl-(1->6)-1-thio-alpha-D-mannopyranoside
2-Amino-3-[2,3-di(butanoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid
2-Amino-3-[hydroxy-(2-hydroxy-3-nonanoyloxypropoxy)phosphoryl]oxypropanoic acid
2-Amino-3-[hydroxy-(2-pentanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxypropanoic acid
3-[(3-Acetyloxy-2-hexanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
(3R,9R,10R)-3,10-dihydroxy-9-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,7,9-tetrahydropyrano[2,3-f]quinolin-8-one
Narcotoline
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetic acid
S-Adenosyl-L-methionine
A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.
(R)-S-adenosyl-L-methionine
An S-adenosyl-L-methionine that has R-configuration.
OXMETIDINE
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
S-adenosyl-L-methionine zwitterion
A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.
(R)-S-adenosyl-L-methionine zwitterion
An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.
(S)-S-adenosyl-L-methionine zwitterion
An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.
7-TFA-ap-7-Deaza-dA
7-TFA-ap-7-Deaza-dA is a modified nucleoside. 7-TFA-ap-7-Deaza-dA can be used in the synthesis of deoxyribonucleic acid or nucleic acid. 7-TFA-ap-7-Deaza-dA is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
AB-MECA
AB-MECA is a high affinity A3 adenosine receptor agonist with a binding Ki of 430.5 nM for human A3 receptors in CHO cells. AB-MECA can enhance plasma histamine level[1][2][3][4].
PF-06795071
PF-06795071 is a potent and selective covalent MAGL inhibitor with an IC50 of 3 nM[1].
Ro 363 (hydrochloride)
Ro 363 hydrochloride, an effective inotropic stimulant, is a potent and highly selective β1-adrenoceptor agonist. Ro 363 hydrochloride is a cardiovascular modulator that reduces diastolic blood pressure and pronounces increases in myocardial contractility[1][2][3].
6-[4-({[ethoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2r)-1-({5,6-dihydroxy-2-methyl-4,8,9-trioxocyclohexa[g]chromen-7-yl}methyl)pyrrolidine-2-carboxylic acid
6-methoxy-2-methyl-3-{3-[(2r,3r)-2-methyl-3-[(1e)-1-(4-nitrophenyl)prop-1-en-2-yl]oxiran-2-yl]propyl}pyran-4-one
(1r,11r,13s)-11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]docosa-2(10),3,5(9),14(19),15,17-hexaene
3-{[3-({3-[(4-hydroxyphenyl)methanethioamido]-1-sulfanylpropylidene}amino)-1-sulfanylpropylidene]amino}propanoic acid
n-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}ethanimidic acid
3,4,9,10,11-pentamethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
(2s)-2-amino-4-{[(1r)-2-({[(r)-(2r)-2-amino-2-carboxyethanesulfinyl]methyl}sulfanyl)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid
n-[13,14,15-trimethoxy-5-(methoxycarbonyl)tricyclo[9.4.0.0²,⁷]pentadeca-1(15),2,4,6,11,13-hexaen-8-yl]ethanimidic acid
n-[(10s,12r,16s)-3,4,5,14-tetramethoxy-13-oxotetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]ethanimidic acid
8-({2-[(1-hydroxyethylidene)amino]-3-phenylpropanoyl}oxy)-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
n-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enimidic acid
methyl (12s)-16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate
3,4-bis(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid
31098-60-9
{"Ingredient_id": "HBIN006891","Ingredient_name": "31098-60-9","Alias": "27341-28-2; 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-12-methanol, 5,8,13,13a-tetrahydro-10,11,14-trimethoxy-, (S)-","Ingredient_formula": "C22H25NO6","Ingredient_Smile": "COC1=C(C(=C2CC3C4=C(C5=C(C=C4CCN3CC2=C1)OCO5)OC)CO)OC","Ingredient_weight": "399.44","OB_score": "24.7206565","CAS_id": "31098-60-9","SymMap_id": "SMIT06177","TCMID_id": "NA","TCMSP_id": "MOL004218","TCM_ID_id": "NA","PubChem_id": "161692","DrugBank_id": "NA"}
beta-lumicolchicine
{"Ingredient_id": "HBIN018181","Ingredient_name": "beta-lumicolchicine","Alias": "\u03b2-lumicolchicine","Ingredient_formula": "C22H25NO6","Ingredient_Smile": "CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC","Ingredient_weight": "399.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25556;13067","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91872501","DrugBank_id": "NA"}
bisindolylpyrrole cpb-53-594-3
{"Ingredient_id": "HBIN018624","Ingredient_name": "bisindolylpyrrole cpb-53-594-3","Alias": "NA","Ingredient_formula": "C23H17N3O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2473","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
