Exact Mass: 287.0807
Exact Mass Matches: 287.0807
Found 500 metabolites which its exact mass value is equals to given mass value 287.0807,
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.
Lycorine
Lycorine is an indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. It has a role as a protein synthesis inhibitor, an antimalarial, a plant metabolite and an anticoronaviral agent. It derives from a hydride of a galanthan. Lycorine is a natural product found in Sternbergia clusiana, Pancratium trianthum, and other organisms with data available. Lycorine is a toxic crystalline alkaloid found in various Amaryllidaceae species, such as the cultivated bush lily (Clivia miniata), surprise lilies (Lycoris), and daffodils (Narcissus). It may be highly poisonous, or even lethal, when ingested in certain quantities. Symptoms of lycorine toxicity are vomiting, diarrhea, and convulsions. Lycorine, definition at mercksource.com Regardless, it is sometimes used medicinally, a reason why some groups may harvest the very popular Clivia miniata. An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.144 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.136 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.138 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2316 INTERNAL_ID 2316; CONFIDENCE Reference Standard (Level 1) [Raw Data] CBA60_Lycorine_pos_30eV.txt [Raw Data] CBA60_Lycorine_pos_10eV.txt [Raw Data] CBA60_Lycorine_pos_50eV.txt [Raw Data] CBA60_Lycorine_pos_40eV.txt [Raw Data] CBA60_Lycorine_pos_20eV.txt Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2]. Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2]. Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2].
Tenofovir
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].
Norlaudanosoline
Norlaudanosoline (CAS: 4747-99-3), also known as tetrahydropapaveroline, belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Norlaudanosoline is a very strong basic compound (based on its pKa). Norlaundanosoline is a key intermediate in the synthesis of the benzylisoquinoline alkaloids, providing the upper isoquinoline portion of the morphinan skeleton. It is involved in alkaloid biosynthesis and is synthesized by the enzyme (S)-norlaudanosoline synthase. Formerly believed to be a biosynthetic precursor of morphine in Papaver somniferum, now disproved
Cyanidin
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
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.
Sulmazole
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
norlaudanosoline
Origin: Animal; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2522; CONFIDENCE confident structure
Cycloguanil Hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D007004 - Hypoglycemic Agents > D001645 - Biguanides
noroxymorphone
noroxymorphone is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
Pipermethystine
Pipermethystine is found in beverages. Pipermethystine is an alkaloid from the leaves of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Pipermethystine is an alkaloid present in the aerial (aboveground) portions of the kava plant. Alkaloid from the leaves of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
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.
N-Ribosylhistidine
N tau-ribosylhistidine (His-R) is a histidine derivative found in the urine of histidinemic patients (histidinemia is an autosomal recessive metabolic disorder characterized by increased levels of histidine in blood, urine, and cerebrospinal fluid). The enzymes responsible for the formation of His-R are NAD (P) + nucleosidase [EC 3.2.2.5], nucleotide pyrophosphatase [EC 3.5.1.9] and 5-nucleotidase [EC 3.1.3.5]. (PMID: 2992472) [HMDB] N tau-ribosylhistidine (His-R) is a histidine derivative found in the urine of histidinemic patients (histidinemia is an autosomal recessive metabolic disorder characterized by increased levels of histidine in blood, urine, and cerebrospinal fluid). The enzymes responsible for the formation of His-R are NAD (P) + nucleosidase [EC 3.2.2.5], nucleotide pyrophosphatase [EC 3.5.1.9] and 5-nucleotidase [EC 3.1.3.5] (PMID: 2992472).
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
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
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
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
1-hydroxy-3,6-dimethoxy-1,2-dimethyl-9H-carbazol-4-one
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).
2-(tert-Butylsulfonyl)-3-(4-chloro-1-methyl-1H-pyrazol-3-yl)acrylonitrile
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.
beta-D-glucopyranos-1-yl N-methylpyrrole-2-carboxylate
(S)-2-(3,4-dihydroxybenzoylamino)-3-phenylpropanol|nigerrimin A
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
3-Isopentenyl-4-methoxy-7,8-methylendioxy-2-chinolon|6-methoxy-7-(3-methyl-but-2-enyl)-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|6-methoxy-7-(3-methylbut-2-enyl)-1,3-dioxolo<4,5-h>quinolin-8-one
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
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.
C16H17NO4_6,11-Methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepine-8,9-diol, 5,6a,7,8,9,11-hexahydro
noroxymorphone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
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
D020011 - Protective Agents > D000975 - Antioxidants
Benzamide, N-[(4-hydroxyphenyl)methyl]-3,4-dimethoxy
1-(2,5-DICHLORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
(2S)-4,4-dimethyl-2-phenyl-1-oxa-4-azoniacyclohexan-2-ol
Methyl 4-(1-aminocyclopropyl)benzoate methanesulfonate (1:1)
1-(2-CHLORO-4-FLUOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE
2-Amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1,2-dihydro-6-hydroxy-3,4-dimethyl-2-oxo-1,3-bipyridinium chloride
3-Pyrrolidinecarboxylic acid, 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-
2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
3-AZIDO-3-DEOXY-1,2:5,6-DI-O-ISOPROPYLIDENE-α-D-GLUCOFURANOSE
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
4-(5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylicacid
2,3-NAPHTHALENEDIOL, 6-(DIMETHYLAMINO)-5,6,7,8-TETRAHYDRO-, HYDROBROMIDE
1-[(4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid,hydrochloride
1-(4-trifluoromethyl-benzyl)-piperidine-4-carboxylic acid hydrochloride
2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid tert-butyl ester
N-BENZYL-3-CARBOMETHOXY-4-PIPERIDONE, SODIUM SALT MONOHYDRATE, TECH.
Thionin acetate
D000890 - Anti-Infective Agents > D023181 - Antimicrobial Cationic Peptides
2-(7-FLUORO-2-(4-FLUOROPHENYL)-1H-INDOL-3-YL)ACETIC ACID
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
ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate
D-threo-beta-Methylsulfonylphenylserine ethyl ester
2-chloro-3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-6-methylquinoline
(3-((2-Isopropyl-1H-imidazol-1-yl)methyl)phenyl)amine dihydrochloride
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
ETHYL 7-METHYL-2-(2-THIENYL)PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
8-METHYL-QUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
Methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
3-(METHOXYCARBONYL)-1-(2-ETHOXYETHYL)-4-NITRO-1H-PYRAZOLE-5-CARBOXYLIC ACID
2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid amide
ethyl 2-(2-ethoxy-2-oxoethyl)quinoline-3-carboxylate
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
{(carboxymethyl)[(4-methylphenyl)sulfonyl]amino}acetic acid
3,6-Acridinediamine,N6,N6,2-trimethyl-, hydrochloride (1:1)
1-(4-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOL-5-YL)ETHANOL
1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(phenylmethyl)-
(3-(N-(tert-butyl)sulfamoyl)-4-Methoxyphenyl)boronic acid
7-(METHYLTHIO)-1-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1-(4-(4-Amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone
2-(4-(ETHYLAMINO)PHENYL)-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL
1-Benzyl-4-thiophen-2-yl-pyrrolidine-3-carboxylic acid
2-chloro-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
1-[(3-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
Methyl 2-amino-4-methoxy-5-(phenylmethoxy)benzoate
AMINO-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID
1-(4-CHLOROPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE
besipirdine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
3-(METHOXYCARBONYL)-5-(N-METHYLMETHYLSULFONAMIDO)BENZOIC ACID
(2Z)-3-(Acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoic acid methyl ester
2,6-dichloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
5,11-Dihydro-11-chloroacetyl-6h-pyrido[2,3-b][1,4]benzodiazepine-6-one
2-[4-(3-FORMYL-2,5-DIMETHYL-1H-1-PYRROLYL)PHENOXY]PROPANOIC ACID
N-(2-Chloropyrimidin-4-yl)-N-methyl-2,3-dimethyl-2H-indazol-6-amine
1-[2-Hydroxy-3-nitro-5-(phenylmethoxy)phenyl]ethanone
6-[(3-nitrophenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
4-(2-morpholin-4-ylethoxy)benzoic acid,hydrochloride
5-(4-chlorophenyl)-N-cyclopentyl-2-methylpyrimidin-4-amine
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
methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate
2-(2-Nitrophenyl)-thiazolo[5,4-b]pyridine-6-Methanol
1-[4-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERAZIN-1-YL]ETHANONE
1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
Gonyautoxin IV
From Gonyaulax and Protogonyaulax subspecies Gonyautoxin IV is found in mollusks.
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
3-PHENYL-2-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYLAMINO)-PROPIONIC ACID
(4S)-(-)-T-BUTYLDIMETHYLSILOXY-2-CYCLOPENTEN-1-ONE
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
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
3-(3-(3,4-Dichlorophenyl)piperidin-3-yl)propan-1-ol
7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
2,6-Dihydroxy-N-(2-(4-methoxyphenyl)ethyl)benzamide
(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
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
2-(4-Fluorophenyl)-2-oxoethyl 2-(methylamino)benzoate
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
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
4-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)morpholine
(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
2,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3H-chromen-5-olate
3-(2,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate
2-(2-Carboxy-6-hydroxy-4-methylbenzoyl)-3-hydroxyphenolate
(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
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
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-2-furancarboxamide
4-(2-methylphenyl)-3-(5-methyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
2-(2-furanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b][1,3]oxazin-4-one
(17S,18S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol
(2-oxooxolan-3-yl) (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
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
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
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
6-acetyl-6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one
(4S)-4,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-3-olate
Asp-Gly-Pro
A tripeptide composed of L-aspartic acid, glycine, and L-proline units joined in sequence.
[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
2-(2,5-Dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-3-ium-7-one
2-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methylideneamino]benzoic acid
5-amino-1-(3-fluoro-4-morpholinophenyl)-1H-imidazole-4-carbonitrile
4-Ethoxycarbonylmethyl-3-methyl-1-para-tolyl-3-pyrroline-2,5-dione
6,11-Phenylimino-5,6-dihydropyrrolo(1,2-C)(1,3)benzodiazepin-5-one
Indole-3-glycerol phosphate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents The (1S,2R)-diastereomer of 1-C-(indol-3-yl)glycerol 3-phosphate.
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
sulmazole
C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Isomazole
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
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)
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
An N-glycosyl compound that is cytosine in which the proton at position 1 is replaced by a beta-D-glucuronosyl residue.
4-hydroxy-3-(1-{[2-(4-hydroxyphenyl)ethyl]imino}ethyl)-6-methylpyran-2-one
(3r)-6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl acetate
(1r,4s)-4-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile
8-hydroxy-7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
(1s,17s,18s,19r)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraene-17,18-diol
2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}-4-methoxybenzoic acid
7-hydroxy-8-methoxy-2-methyl-5h-chromeno[4,3-b]pyridine-10-carboxylic acid
(1s,7s,16r)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,11-dione
1-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2-one
(3z)-3-(1-{[2-(4-hydroxyphenyl)ethyl]amino}ethylidene)-6-methylpyran-2,4-dione
5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹¹,¹⁹]henicosa-2(10),3,8-triene
n-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]ethanimidic acid
(1r,13s,15s,18r)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,16-tetraene-15,18-diol
(1s,7r,16r)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,11-dione
16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),12,14-triene-4,9-dione
16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,11-dione
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene-15,18-diol
(2s,3r)-2,3-dihydroxy-3-(1h-indol-3-yl)propoxyphosphonic acid
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-hydroxy-3-[(3r)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid
(1s,16r)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),12,14-triene-4,11-dione
16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,9-dione
(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
(1r,13s,15r,18s)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene-15,18-diol
(+)-11-hydroxyvittatine
{"Ingredient_id": "HBIN000458","Ingredient_name": "(+)-11-hydroxyvittatine","Alias": "NA","Ingredient_formula": "C16H17NO4","Ingredient_Smile": "C1C(C=CC23C1N(CC2O)CC4=CC5=C(C=C34)OCO5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10825","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
