Exact Mass: 287.06161080000004
Exact Mass Matches: 287.06161080000004
Found 379 metabolites which its exact mass value is equals to given mass value 287.06161080000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rutaecarpine
Rutecarpine is a member of beta-carbolines. Rutaecarpine is a natural product found in Bouchardatia neurococca, Zanthoxylum dimorphophyllum, and other organisms with data available. Rutaecarpine belongs to the family of Pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM. Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM.
Tenofovir
C9H14N5O4P (287.07833740000007)
Tenofovir is only found in individuals that have used or taken this drug. Tenofovir, marketed by Gilead Sciences under the trade name Viread®, belongs to a class of antiretroviral drugs known as nucleotide analogue reverse transcriptase inhibitors (nRTIs), which block reverse transcriptase, an enzyme crucial to viral production in HIV-infected people. [Wikipedia]Tenofovir inhibits the activity of HIV reverse transcriptase by competing with the natural substrate deoxyadenosine 5’-triphosphate and, after incorporation into DNA, by DNA chain termination. Specifically, the drugs are analogues of the naturally occurring deoxynucleotides needed to synthesize the viral DNA and they compete with the natural deoxynucleotides for incorporation into the growing viral DNA chain. However, unlike the natural deoxynucleotides substrates, NRTIs and NtRTIs (nucleoside/tide reverse transcriptase inhibitors) lack a 3-hydroxyl group on the deoxyribose moiety. As a result, following incorporation of an NRTI or an NtRTI, the next incoming deoxynucleotide cannot form the next 5-3 phosphodiester bond needed to extend the DNA chain. Thus, when an NRTI or NtRTI is incorporated, viral DNA synthesis is halted, a process known as chain termination. All NRTIs and NtRTIs are classified as competitive substrate inhibitors. C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Tenofovir (GS 1278) is a nucleotide reverse transcriptase inhibitor to treat HIV and chronic Hepatitis B (HBV)[1].
Cyanidin
[C15H11O6]+ (287.05556060000004)
Cyanidin, also known as cyanidin chloride (CAS: 528-58-5), belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. Thus, cyanidin is considered to be a flavonoid lipid molecule. Cyanidin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Cyanidin (and its glycosides) is the most commonly occurring of the anthocyanins, a widespread group of pigments responsible for the red-blue colour of many fruits and vegetables (PMID: 14711454). BioTransformer predicts that cyanidin is a product of cyanidin 3-glucoside metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by the EC.3.2.1.X enzyme (PMID: 30612223). Widely distributed anthocyanidin, found especies in Vaccinium subspecies (blueberries, bilberries, whortleberries), cherries, raspberries, red onions, red wine and black tea. Cyanidin is found in many foods, some of which are papaya, hyacinth bean, sweet basil, and abalone.
NIFURTIMOX
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01C - Agents against leishmaniasis and trypanosomiasis > P01CC - Nitrofuran derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate
C11H14NO6P (287.05587140000006)
Indole-3-glycerol phosphate, also known as c1-(3-indolyl)-glycerol 3-phosphate, is a member of the class of compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Indole-3-glycerol phosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Indole-3-glycerol phosphate can be found in a number of food items such as german camomile, lambsquarters, other soy product, and hazelnut, which makes indole-3-glycerol phosphate a potential biomarker for the consumption of these food products. Indole-3-glycerol phosphate may be a unique E.coli metabolite. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Tetraphyllin B
Tetraphyllin B is found in papaya. Tetraphyllin B is isolated from dried damiana leaves (Turnera diffusa Isolated from dried damiana leaves (Turnera diffusa). Tetraphyllin B is found in papaya.
AminoDAHP
C7H14NO9P (287.04061640000003)
Sulmazole
C14H13N3O2S (287.07284380000004)
C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
VAMIDOTHION
2-Amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate
C7H14NO9P (287.04061640000003)
Cycloguanil Hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D007004 - Hypoglycemic Agents > D001645 - Biguanides
Citrusinine II
Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citrusinine II is found in sweet orange and citrus. Citrusinine II is found in citrus. Citrusinine II is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange
Grandisine III
Grandisine III is found in citrus. Grandisine III is an alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi)) (Rutaceae). Alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi)) (Rutaceae). Grandisine III is found in citrus.
Clitocine
Nucleoside isolated from the mushroom Clitocybe inversa (edibility unknown). Clitocine is found in mushrooms. Clitocine is found in mushrooms. Nucleoside isolated from the mushroom Clitocybe inversa (edibility unknown Clitocine, an adenosine nucleoside analog isolated from mushroom, is a potent and efficacious readthrough agent. Clitocine acts as a suppressor of nonsense mutations and can induce the production of p53 protein in cells harboring p53 nonsense-mutated alleles. Clitocine can induce apoptosis in multidrug-resistant human cancer cells by targeting Mcl-1. Anticancer activity[1][2]. Clitocine, an adenosine nucleoside analog isolated from mushroom, is a potent and efficacious readthrough agent. Clitocine acts as a suppressor of nonsense mutations and can induce the production of p53 protein in cells harboring p53 nonsense-mutated alleles. Clitocine can induce apoptosis in multidrug-resistant human cancer cells by targeting Mcl-1. Anticancer activity[1][2].
Tricetanidin
C15H11O6+ (287.05556060000004)
Tricetanidin is found in tea. Tricetanidin is isolated from black tea (Thea sinensis). Isolated from black tea (Thea sinensis). Tricetanidin is found in tea. Tricetinidin is an intense red-colored chemical compound belonging to the 3-deoxyanthocyanidins. It can be found in black tea infusions.[1] Tricetinidin, in tea, would be a product of the oxidative degallation of epigallocatechin gallate (EGCG). 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=65618-21-5 (retrieved 2024-09-19) (CAS RN: 65618-21-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(E)-3-(4-Chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
Coumarin-3-carboxylic acid succinimidyl ester
1-[Amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D007004 - Hypoglycemic Agents > D001645 - Biguanides
6-Chloro-2',3'-dideoxyguanosine
9-(2-Phosphonomethoxypropyl)adenine
C9H14N5O4P (287.07833740000007)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Incadronic acid
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Isomazole
C14H13N3O2S (287.07284380000004)
C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
N-(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furanyl)methanimine
7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
Tricetinidin
1-Benzopyrylium, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=65618-21-5 (retrieved 2024-09-19) (CAS RN: 65618-21-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
[1-(Phenylsulfonyl)-1H-indol-2-yl]methanol
C15H13NO3S (287.06161080000004)
5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
N4-(2-Hydrazino-2-oxoethyl)-2,1,3-benzothiadiazole-4-sulfonamide
C8H9N5O3S2 (287.01468040000003)
2-(tert-Butylsulfonyl)-3-(4-chloro-1-methyl-1H-pyrazol-3-yl)acrylonitrile
(4S,5S)-4-hydroxy-3,3-dimethyl-5-[(S)-3,3,3-trichloro-2-methylpropyl]-2-pyrrolidinone|dysidamide F
Benzoic acid, 4-hydroxy-2-((2-hydroxybenzoyl)amino)-, methyl ester
Michigazone
A member of the class phenoxazines that is 3H-phenoxazine substituted by methoxy, oxo, methoxy and hydroxymethyl groups at positions 2, 3, 4 and 8, respectively. It is a red pigment produced by the soil bacterium Streptomyces michiganensis.
Parvine
Parvine is a natural product found in Nauclea orientalis and Sarcocephalus latifolius with data available.
beta-D-glucopyranos-1-yl N-methylpyrrole-2-carboxylate
6,7-dihydro-5H-indolo[3,2:3,4]pyrido[2,1-b]quinazolin-9-one|Pseudorutaecarpin|rutaecarpine
5-[(alpha-D-galactopyranosyloxy)methyl]-1H-pyrrole-2-carbaldehyde
6-[(alpha-D-galactopyranosyloxy)methyl]-3-pyridinol
7,8-dihydroxy-3-methyl-10-oxo-10H-chromeno[3,2-c]pyridine-9-carboxylic acid
A pyridochromene that is 10H-chromeno[3,2-c]pyridine substituted by hydroxy groups at positions 7 and 8, a methyl group at position 3, an oxo group at position 10 and a carboxy group at position 9. Isolated from Chaetomium funicola, it exhibits inhibitory activity against metallo-beta-lactamases.
3-(4-chlorophenyl)-N-(3-methoxyphenyl)-2-propenamide
Tenofovir
C9H14N5O4P (287.07833740000007)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3105 Tenofovir (GS 1278) is a nucleotide reverse transcriptase inhibitor to treat HIV and chronic Hepatitis B (HBV)[1].
Rutaecarpine
Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM. Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM.
Barterin
Clitocine
Clitocine, an adenosine nucleoside analog isolated from mushroom, is a potent and efficacious readthrough agent. Clitocine acts as a suppressor of nonsense mutations and can induce the production of p53 protein in cells harboring p53 nonsense-mutated alleles. Clitocine can induce apoptosis in multidrug-resistant human cancer cells by targeting Mcl-1. Anticancer activity[1][2]. Clitocine, an adenosine nucleoside analog isolated from mushroom, is a potent and efficacious readthrough agent. Clitocine acts as a suppressor of nonsense mutations and can induce the production of p53 protein in cells harboring p53 nonsense-mutated alleles. Clitocine can induce apoptosis in multidrug-resistant human cancer cells by targeting Mcl-1. Anticancer activity[1][2].
Tricetanidin
C15H11O6+ (287.05556060000004)
D020011 - Protective Agents > D000975 - Antioxidants
Tricetinidin
C15H11O6+ (287.05556060000004)
D020011 - Protective Agents > D000975 - Antioxidants
N4-Acetyl-2-Fluoro-2-deoxycytidine
C11H14FN3O5 (287.09174459999997)
1-(2,5-DICHLORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
4-(CYANOMETHYL)PHENYL 4-METHYLBENZENE-1-SULFONATE
C15H13NO3S (287.06161080000004)
1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
(2S)-4,4-dimethyl-2-phenyl-1-oxa-4-azoniacyclohexan-2-ol
3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-carboxylic acid
Methyl 4-(1-aminocyclopropyl)benzoate methanesulfonate (1:1)
C12H17NO5S (287.08273920000005)
1-(2-CHLORO-4-FLUOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE
2-Amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[1-(PHENYLSULFONYL)-1H-INDOL-3-YL]METHANOL
C15H13NO3S (287.06161080000004)
1,2-dihydro-6-hydroxy-3,4-dimethyl-2-oxo-1,3-bipyridinium chloride
9H-Thioxanthene-3-carboxamide,9-oxo-, 10,10-dioxide
3-Pyrrolidinecarboxylic acid, 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-
2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
C13H12F3NOS (287.05916579999996)
1-[(2,5-dichlorophenyl)methyl]piperidine-4-carboxylic acid
1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxylic acid
1-(2,4-DICHLORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
8-CHLORO-2-(5-METHYL-2-FURYL)QUINOLINE-4-CARBOXYLIC ACID
5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-4-CARBOXYLIC ACID
C12H8F3NO2S (287.02278240000004)
4-(5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
3-AMINO-3-(5-BROMO-2-ETHOXY-PHENYL)-PROPIONIC ACID
METHYL 2-(3-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-5-CARBOXYLATE
C12H8F3NO2S (287.02278240000004)
2,3-NAPHTHALENEDIOL, 6-(DIMETHYLAMINO)-5,6,7,8-TETRAHYDRO-, HYDROBROMIDE
1-[(4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid,hydrochloride
2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid tert-butyl ester
Thionin acetate
C14H13N3O2S (287.07284380000004)
D000890 - Anti-Infective Agents > D023181 - Antimicrobial Cationic Peptides
4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
C12H8F3NO2S (287.02278240000004)
2-(7-FLUORO-2-(4-FLUOROPHENYL)-1H-INDOL-3-YL)ACETIC ACID
[4-(4-Thiomorpholinylsulfonyl)phenyl]boronic acid
C10H14BNO4S2 (287.04572740000003)
Carbamimidothioic acid,N-cyano-N-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-, methyl ester
Isoquinoline, 1,2,3,4-tetrahydro-2- (p-tolylsulfonyl)-
2-chloro-7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinoline
2-chloro-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinoline
2-chloro-6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinoline
2-CHLORO-4,5,7,8-TETRAHYDRO-6H-THIENO[2,3-D]AZEPINE-6-CARBOXYLIC ACID, T-BUTYLESTER
C13H18ClNO2S (287.07467180000003)
ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate
8-Fluoro-3-(phenylsulfonyl)quinoline
C15H10FNO2S (287.04162520000006)
D-threo-beta-Methylsulfonylphenylserine ethyl ester
C12H17NO5S (287.08273920000005)
2-chloro-3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-6-methylquinoline
5-(4-CHLORO-PHENYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
4-Methyl-2-4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid
C12H8F3NO2S (287.02278240000004)
(3-((2-Isopropyl-1H-imidazol-1-yl)methyl)phenyl)amine dihydrochloride
C13H19Cl2N3 (287.09559540000004)
6,7-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine hydrobromide ( 1:1)
Methyl 5-(2-(trifluoromethyl)-2,3-dihydro-1H-benzo[d IMidazol-2-yl)pentanoate
7,7-dimethyl-3-(thiophen-2-ylmethyl)-6,8-dihydro-1H-quinoline-2,5-dione
2-(2-CHLORO-BENZOYLAMINO)-4-METHYLSULFANYL-BUTYRIC ACID
2-nitro-N-(2-nitrophenyl)benzamide
C13H9N3O5 (287.05421839999997)
N-(2-hydrazinyl-2-oxoethyl)-2,1,3-benzothiadiazole-4-sulfonamide
C8H9N5O3S2 (287.01468040000003)
4-aminophenyl-1-thio-beta-d-galactopyranoside
C12H17NO5S (287.08273920000005)
ETHYL 7-METHYL-2-(2-THIENYL)PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
C14H13N3O2S (287.07284380000004)
Methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
1-[2-[4-(TRIFLUOROMETHOXY)PHENYL]-1,3-THIAZOL-4-YL]ETHAN-1-ONE
C12H8F3NO2S (287.02278240000004)
3-(METHOXYCARBONYL)-1-(2-ETHOXYETHYL)-4-NITRO-1H-PYRAZOLE-5-CARBOXYLIC ACID
C10H13N3O7 (287.07534680000003)
2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid amide
METHYL 2-(2,2,2-TRIFLUORO-ACETYLAMINO)-IMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLATE
2-(BENZOYLAMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID
C15H13NO3S (287.06161080000004)
{(carboxymethyl)[(4-methylphenyl)sulfonyl]amino}acetic acid
tert-Butyl ((5-bromopyrimidin-2-yl)methyl)carbamate
1-(4-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOL-5-YL)ETHANOL
C13H12F3NOS (287.05916579999996)
1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(phenylmethyl)-
2-nitro-N-(4-nitrophenyl)benzamide
C13H9N3O5 (287.05421839999997)
7-Bromo-1,1,2-trimethyl-1H-benzo[e]indole
C15H14BrN (287.03095440000004)
(3-(N-(tert-butyl)sulfamoyl)-4-Methoxyphenyl)boronic acid
Dimethyl 2-(4-chloro-2-nitrophenyl)malonate
C11H10ClNO6 (287.01966300000004)
3-ETHOXY-2-(2-NAPHTHYLSULFONYL)ACRYLONITRILE
C15H13NO3S (287.06161080000004)
7-(METHYLTHIO)-1-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
3-METHOXY-1-(PHENYLSULFONYL)-1H-INDOLE
C15H13NO3S (287.06161080000004)
4-Aminophenyl b-D-thiomannopyranoside
C12H17NO5S (287.08273920000005)
3-(4-(methylsulfonyl)phenyl)serine ethyl ester
C12H17NO5S (287.08273920000005)
2-(4-(ETHYLAMINO)PHENYL)-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL
1-Benzyl-4-thiophen-2-yl-pyrrolidine-3-carboxylic acid
2-benzyl-5-bromo-1,3-dihydroisoindole
C15H14BrN (287.03095440000004)
2-chloro-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
1-[(3-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
AMINO-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID
1-(4-CHLOROPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE
6-methoxy-1-(phenylsulfonyl)-1H-indole
C15H13NO3S (287.06161080000004)
2,6-Dichloro-8-methyl-3-phenylquinoline
C16H11Cl2N (287.02685060000005)
2,7-Dichloro-8-methyl-3-phenylquinoline
C16H11Cl2N (287.02685060000005)
3-(METHOXYCARBONYL)-5-(N-METHYLMETHYLSULFONAMIDO)BENZOIC ACID
(2Z)-3-(Acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoic acid methyl ester
Avibactam sodium
An organic sodium salt that is the monosodium salt of avibactam. Used in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors C2140 - Adjuvant > C183118 - Beta-lactamase Inhibitor D004791 - Enzyme Inhibitors
2,6-dichloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H16BCl2NO2 (287.06510860000003)
5,11-Dihydro-11-chloroacetyl-6h-pyrido[2,3-b][1,4]benzodiazepine-6-one
3-[(2-chloro-4-fluorophenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
C11H11ClFN3OS (287.02953579999996)
N-(2-Chloropyrimidin-4-yl)-N-methyl-2,3-dimethyl-2H-indazol-6-amine
P-AMINOPHENYL-1-THIO-β-D-GLUCOPYRANOS IDE
C12H17NO5S (287.08273920000005)
1-[2-Hydroxy-3-nitro-5-(phenylmethoxy)phenyl]ethanone
2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
C12H8F3NO2S (287.02278240000004)
6-[(3-nitrophenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
4-(2-morpholin-4-ylethoxy)benzoic acid,hydrochloride
6-(2-CHLOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
6-(3-CHLOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol
C12H13N7S (287.09530980000005)
methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate
4-C-azido-2-deoxy-2-fluoro-beta-D-arabinouridine
C9H10FN5O5 (287.06659420000005)
4-C-azido-3-deoxy-3-fluoro-Uridine
C9H10FN5O5 (287.06659420000005)
2-(2-Nitrophenyl)-thiazolo[5,4-b]pyridine-6-Methanol
1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
Gonyautoxin IV
From Gonyaulax and Protogonyaulax subspecies Gonyautoxin IV is found in mollusks.
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine,hydrochloride
4-methoxy-3-(n,n-diethylsulfamoyl)phenylboronic acid
2-(2-CHLORO-ACETYLAMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
1-(2,6-dichlorobenzyl)piperidine-3-carboxylic acid
2,2,2-TRIFLUORO-N-(7-OXO-6,7-DIHYDRO-5H-INDENO[5,6-D][1,3]DIOXOL-5-YL)ACETAMIDE
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
2-(4-Chlorophenyl)-4-hydroxy-5-phenyl-1,3-thiazole
3-PHENYL-2-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYLAMINO)-PROPIONIC ACID
CP 93129 dihydrochloride
CP 93129 dihydrochloride is a potent 5HT1B receptor agonist. CP 93129 dihydrochloride has the potential for parkinson's disease research[1].
2-Chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
1-(benzenesulfonyl)-7-methoxyindole
C15H13NO3S (287.06161080000004)
6-(4-CHLOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
3-(6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl)benzonitrile
2-[(2,5-DIMETHOXY-4-NITROPHENYL)THIO]ETHANOHYDRAZIDE
4-benzyl-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5-thione
C14H13N3S2 (287.05508580000003)
3-(3-(3,4-Dichlorophenyl)piperidin-3-yl)propan-1-ol
C14H19Cl2NO (287.08436240000003)
3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
C12H8F3NO2S (287.02278240000004)
methyl 3-bromo-4-[2-hydroxyethyl(methyl)amino]benzoate
3-bromo-4-[[2-hydroxyethyl(methyl)amino]methyl]benzoic acid
7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
(R)-2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol
2H-Indol-2-one, 1,3-dihydro-5-(3-pyridinyl)-3-(1H-pyrrol-2-ylmethylene)-
2,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
2-(4-Fluorophenyl)-2-oxoethyl 2-(methylamino)benzoate
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
4-Diazoniophenylphosphorylcholine
C11H18N3O4P+2 (287.10348780000004)
N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-Chloro-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
3-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine
(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-YL)-phosphoramidic acid dimethyl ester
Incadronic
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
4-Amino-5,6-dihydroxy-2-oxo-7-phosphonooxyheptanoic acid
C7H14NO9P (287.04061640000003)
Naringenin dibenzoylmethane tautomer
C15H11O6- (287.05556060000004)
2,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3H-chromen-5-olate
C15H11O6- (287.05556060000004)
3-(2,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate
C15H11O6- (287.05556060000004)
(2R)-2-azaniumyl-3-(2,4-dinitrophenyl)sulfanylpropanoate
C9H9N3O6S (287.02120540000004)
2-(2-Carboxy-6-hydroxy-4-methylbenzoyl)-3-hydroxyphenolate
C15H11O6- (287.05556060000004)
(E)-3-(4-Chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
2-amino-6-chloro-9-[5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
(+)-Dihydrokaempferol 7-oxoanion
C15H11O6- (287.05556060000004)
Conjugate base of (+)-dihydrokaempferol.
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
5-Amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide
4-(2-methylphenyl)-3-(5-methyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
C14H13N3S2 (287.05508580000003)
2-(2-furanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b][1,3]oxazin-4-one
C15H13NO3S (287.06161080000004)
(2-oxooxolan-3-yl) (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
1,3-Benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester
2-Hydroxy-2,3-dihydrogenistein-7-olate
C15H11O6- (287.05556060000004)
2-[(3-Butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile
5-(2,3-dihydro-1H-indol-1-ylmethylene)-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
C14H13N3O2S (287.07284380000004)
2-[(3-Chloro-1-benzothiophen-2-yl)methylideneamino]phenol
5-[(2-Chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
8-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline
2-(4-Chlorophenyl)-5-(1-piperidinyl)-4-oxazolecarbonitrile
2-[3-(3,4-Dihydroxyphenyl)prop-2-enoyl]-3,5-dihydroxyphenolate
C15H11O6- (287.05556060000004)
6-[(4-Chloroanilino)methylidene]-3-prop-2-enoxy-1-cyclohexa-2,4-dienone
4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid
5-(1,3-dioxoisoindol-2-yl)-1H-indole-3-carbonitrile
(4S)-4,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-3-olate
C15H11O6- (287.05556060000004)
[4-(2-Pyridinylmethyl)-1-piperazinyl]-thiophen-2-ylmethanone
8,8-dimethyl-2,9-dioxo-10H-pyrano[2,3-f][1]benzopyran-10-carboxaldehyde oxime
(2R)-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide
C10H13N3O7 (287.07534680000003)
6,11-Phenylimino-5,6-dihydropyrrolo(1,2-C)(1,3)benzodiazepin-5-one
Indole-3-glycerol phosphate
C11H14NO6P (287.05587140000006)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents The (1S,2R)-diastereomer of 1-C-(indol-3-yl)glycerol 3-phosphate.
Volkenin
A cyanogenic glycoside that is (4R)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a beta-D-glucopyranosyloxy at position 1.
chlorproguanil
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D007004 - Hypoglycemic Agents > D001645 - Biguanides
2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid
C7H14NO9P (287.04061640000003)
sulmazole
C14H13N3O2S (287.07284380000004)
C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Isomazole
C14H13N3O2S (287.07284380000004)
C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
1-C-(Indol-3-yl)glycerol 3-phosphate
C11H14NO6P (287.05587140000006)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Cyanidin cation
An anthocyanidin cation that is flavylium substituted at positions 3, 3, 4, 5 and 7 by hydroxy groups. 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=13306-05-3 (retrieved 2024-09-27) (CAS RN: 13306-05-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
tenofovir (anhydrous)
C9H14N5O4P (287.07833740000007)
A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection.
cytosylglucuronic acid
C10H13N3O7 (287.07534680000003)
An N-glycosyl compound that is cytosine in which the proton at position 1 is replaced by a beta-D-glucuronosyl residue.
(1r,4s)-4-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile
2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}-4-methoxybenzoic acid
7-hydroxy-8-methoxy-2-methyl-5h-chromeno[4,3-b]pyridine-10-carboxylic acid
(2s,3r)-2,3-dihydroxy-3-(1h-indol-3-yl)propoxyphosphonic acid
C11H14NO6P (287.05587140000006)
(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
C10H13N3O7 (287.07534680000003)
2-benzamidobenzoic acid; 2',4-dihydroxy,me ester
{"Ingredient_id": "HBIN005344","Ingredient_name": "2-benzamidobenzoic acid; 2',4-dihydroxy,me ester","Alias": "NA","Ingredient_formula": "C15H13NO5","Ingredient_Smile": "NA","Ingredient_weight": "287.27","OB_score": "NA","CAS_id": "93289-91-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8693","PubChem_id": "NA","DrugBank_id": "NA"}
2-benzamidobenzoic acid; 2'-hydroxy,4-methoxy
{"Ingredient_id": "HBIN005346","Ingredient_name": "2-benzamidobenzoic acid; 2'-hydroxy,4-methoxy","Alias": "NA","Ingredient_formula": "C15H13NO5","Ingredient_Smile": "NA","Ingredient_weight": "287.27","OB_score": "NA","CAS_id": "93289-90-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8691","PubChem_id": "NA","DrugBank_id": "NA"}
2-amino-3-{[(2-carboxy-2-hydroxyethanesulfonyl)methyl]sulfanyl}propanoic acid
amino[3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]acetic acid
C10H13N3O7 (287.07534680000003)
(4as,7s)-6,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-4a,7-dihydro-1λ⁴-chromen-1-ylium
4-ethenylphenyl 3-amino-4-hydroxy-2-sulfanylbenzoate
C15H13NO3S (287.06161080000004)
(1r,4s)-4-hydroxy-1-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methoxynaphthalen-1-ol
C15H13NO3S (287.06161080000004)
7-amino-6,8,9-trihydroxy-4-methoxy-3-methylphenalen-1-one
(1s,4s)-4-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile
(2s)-3-({[(2r)-2-amino-2-carboxyethyl]sulfanyl}methanesulfonyl)-2-hydroxypropanoic acid
14-methoxy-13-methyl-2-oxa-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaene-5,10,12-triol
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1-methylpyrrole-2-carboxylate
(1s)-4-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile
3,4,5-trihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
C10H13N3O7 (287.07534680000003)