Exact Mass: 273.0948
Exact Mass Matches: 273.0948
Found 500 metabolites which its exact mass value is equals to given mass value 273.0948,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ADEFOVIR
A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Same as: D02768
Carprofen
Carprofen is a non-steroidal anti-inflammatory drug (NSAID) that is used by veterinarians as a supportive treatment for the relief of arthritic symptoms in geriatric dogs. Carprofen was previously used in human medicine for over 10 years (1985-1995). It was generally well tolerated, with the majority of adverse effects being mild, such as gastro-intestinal pain and nausea, similar to those recorded with aspirin and other non-steroidal anti-inflammatory drugs. It is no longer marketed for human usage, after being withdrawn on commercial grounds. [Wikipedia] C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Carprofen is a nonsteroid anti-inflammatory agent, acts as a multi-target FAAH/COX inhibitor, with IC50s of 3.9 μM, 22.3 μM and 78.6 μM for COX-2, COX-1 and FAAH, respectively.
beta-Erythroidine
An organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-.
Tolcapone
Tolcapone is a drug that inhibits the enzyme catechol-O-methyl transferase (COMT). It is used in the treatment of Parkinsons disease as an adjunct to levodopa/carbidopa medication. It is a yellow, odorless, non-hygroscopic, crystalline compound. Tolcapone is associated with a risk of hepatotoxicity. [Wikipedia] D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene
Norgalantamine
N-Desmethyl Galanthamine is a metabolite of Galanthamine. Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM[1][2].
Sanguinine
Sanguinine is a benzazepine. Sanguinine is a natural product found in Lycoris sanguinea, Lycoris squamigera, and other organisms with data available. O-Desmethyl Galanthamine (Sanguinine) is galanthamine-type alkaloid. O-Desmethyl Galanthamine is an acetylcholinesterase (AChE) inhibitor, with an IC50 1.83 μM[1].
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid
Ketamine hydrochloride
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
4-O-Methylnorbelladine
A phenethylamine alkaloid that is norbelladine in which the phenolic hydrogen at position 4 has been replaced by a methyl group.
(E,E)-Piperlonguminine
(E,E)-Piperlonguminine is a member of benzodioxoles. Piperlonguminine is a natural product found in Piper amalago, Piper retrofractum, and other organisms with data available. (E,E)-Piperlonguminine is found in herbs and spices. (E,E)-Piperlonguminine is an alkaloid from Piper longum (long pepper) and other Piper specie Alkaloid from Piper longum (long pepper) and other Piper subspecies (E,E)-Piperlonguminine is found in herbs and spices. Piperlonguminine is an alkaloid amide isolated from the Piper species. Piperlonguminine shows various biological properties, including anti-inflammatory, antitumor, neuroprotective, anti-platelet, anti-melanogenic, antifungal and antibacterial activities[1][2][3][4]. Piperlonguminine is an alkaloid amide isolated from the Piper species. Piperlonguminine shows various biological properties, including anti-inflammatory, antitumor, neuroprotective, anti-platelet, anti-melanogenic, antifungal and antibacterial activities[1][2][3][4].
Modafinil
Modafinil is a stimulant drug marketed as a wakefulness promoting agent and is one of the stimulants used in the treatment of narcolepsy. Narcolepsy is caused by dysfunction of a family of wakefulness-promoting and sleep-suppressing peptides, the orexins, whose neurons are activated by modafinil. The prexin neuron activation is associated with psychoactivation and euphoria. The exact mechanism of action is unclear, although in vitro studies have shown it to inhibit the reuptake of dopamine by binding to the dopamine reuptake pump, and lead to an increase in extracellular dopamine. Modafinil activates glutamatergic circuits while inhibiting GABA. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D064690 - Wakefulness-Promoting Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2E)-Piperamide-C5:1
(2E)-Piperamide-C5:1 is found in herbs and spices. (2E)-Piperamide-C5:1 is a constituent of pepper fruits (Piper nigrum, Piperaceae). Constituent of pepper fruits (Piper nigrum, Piperaceae). (2E)-Piperamide-C5:1 is found in herbs and spices and pepper (spice).
L-Thyronine
Thyronine (T0) is a de-iodinated form of thyroxine. Thyronine are a group of metabolites derived from thyroxine and triiodothyronine via the peripheral enzymatic removal of iodines from the thyroxine nucleus. Thyronine is the thyroxine nucleus devoid of its four iodine atoms. Thyronine (T0) has been identified in human urine. In 22 normal individuals urinary thyronine concentrations were found to range between 8-25 nmol‚ÅÑ24h (PMID: 479355). Thyronine is thought to be a byproduct of thyroxine metabolism and arises through the action of thyroxine deiodinases. Iodide is actively absorbed from the bloodstream and concentrated in the thyroid follicles. (If there is a deficiency of dietary iodine, the thyroid enlarges in an attempt to trap more iodine, resulting in goitre.) Via a reaction with the enzyme thyroperoxidase, iodine is covalently bound to tyrosine residues in the thyroglobulin molecules, forming monoiodotyrosine (MIT) and diiodotyrosine (DIT). Linking two moieties of DIT produces thyroxine. Combining one particle of MIT and one particle of DIT produces triiodothyronine. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Glutaconylcarnitine
Glutaconylcarnitine is an acylcarnitine. More specifically, it is an glutaconic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Glutaconylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine glutaconylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
N-Despropyl-rotigotine
N-Despropyl-rotigotine is a metabolite of rotigotine. Rotigotine (Neupro) is a non-ergoline dopamine agonist indicated for the treatment of Parkinsons disease (PD) and restless legs syndrome (RLS) in Europe and the United States. It is formulated as a once-daily transdermal patch which provides a slow and constant supply of the drug over the course of 24 hours. Like other dopamine agonists, rotigotine has been shown to possess antidepressant effects and may be useful in the treatment of depression as well. (Wikipedia)
(3E)-Glutaconylcarnitin
(3E)-Glutaconylcarnitin is an acylcarnitine. More specifically, it is an (3E)-pent-3-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (3E)-Glutaconylcarnitin is therefore classified as a short chain AC. As a short-chain acylcarnitine (3E)-Glutaconylcarnitin is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2,5-Dioxopyrrolidin-1-yl) 5-(2-hydroxyethoxy)-4-oxopentanoate
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine
Nebicapone
C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C471 - Enzyme Inhibitor
Norgalanthamine
Pomalidomide
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors
Prodolic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
indole-3-acetyl-valine
Indole-3-acetyl-valine is also known as iaa-val. Indole-3-acetyl-valine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-valine can be found in a number of food items such as avocado, cupua√ßu, green bean, and guava, which makes indole-3-acetyl-valine a potential biomarker for the consumption of these food products. Indole-3-acetyl-valine is also known as iaa-val. Indole-3-acetyl-valine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-valine can be found in a number of food items such as avocado, cupuaçu, green bean, and guava, which makes indole-3-acetyl-valine a potential biomarker for the consumption of these food products.
4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
8-(gamma,gamma-dimethylallyloxy)-4-methoxy-N-methyl-2-quinolone
metazachlor OXA
A monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor. CONFIDENCE standard compound; EAWAG_UCHEM_ID 706 CONFIDENCE standard compound; INTERNAL_ID 2062
(3R),5-dihydroxy-(4S)-methyl-3,4-dihydro-2,9,10-(2H)-1-azaanthracenetrione|laoticuzanone A
1,2-O-Isopropylidene,N,5-Di-Ac-alpha-D-Furanose-3-Amino-3-deoxyribose
(2E,4E,6E)-7-(2-thienyl)-2,4-6-heptatrienoic acid piperidide|1-[(2E,4E,6E)-1-oxo-7-(2-thienyl)heptatrienyl]piperidine|1-[(2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoyl]piperidine|7-(thiophene)-2E,4E,6E-heptatrienoic acid piperidide|N-piperidineotanthusic acid amide|Otanthus acid piperidide|Otanthus Maritima amide|Otanthussaeure-piperidid
3-(1-hydroxyethyl)-6-(indol-3-ylmethyl)-2,5-diketopiperazine|cyclo(L-Trp-L-Ser-)|cyclo(L-tryptophanyl-L-seryl)|cyclo-L-Trp-L-Ser
(-)-2-Isopropyl-6-methoxy-5-methyl-3,5-dihydro-2H-furo[3,2-c]chinolin-4-on|(-)-2-isopropyl-6-methoxy-5-methyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one|2.3.4.5-tetrahydro-2-isopropyl-6-methoxy-5-methyl-4-oxo-furano<3.2-c>chinolin
(8aS,9R,11R,12aS)-6,7,8,8a,9,10,11,12-octahydro-8a-hydroxy-11-methyl-1,9-ethanobenzo[i]quinolizin-13,14-dione|huperzine F
(1S,1R)-1-hydroxy-4-(2,6-dideoxy-beta-D-xylo-hexapyranosyloxy)-2-cyclopentene-1-carboxamide
Pomalidomide
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors
Tolcapone
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4727; ORIGINAL_PRECURSOR_SCAN_NO 4722 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4841; ORIGINAL_PRECURSOR_SCAN_NO 4839 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4812; ORIGINAL_PRECURSOR_SCAN_NO 4809 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4900; ORIGINAL_PRECURSOR_SCAN_NO 4896 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4752; ORIGINAL_PRECURSOR_SCAN_NO 4748
5-Hydroxymethylcytidine
5-(Hydroxymethyl)cytidine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
provigil
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D064690 - Wakefulness-Promoting Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
piperlonguminine
Piperlonguminine is an alkaloid amide isolated from the Piper species. Piperlonguminine shows various biological properties, including anti-inflammatory, antitumor, neuroprotective, anti-platelet, anti-melanogenic, antifungal and antibacterial activities[1][2][3][4]. Piperlonguminine is an alkaloid amide isolated from the Piper species. Piperlonguminine shows various biological properties, including anti-inflammatory, antitumor, neuroprotective, anti-platelet, anti-melanogenic, antifungal and antibacterial activities[1][2][3][4].
5-TRIFLUOROMETHYLPYRIDINE-2-BORONIC ACID PINACOL ESTER
2-Methoxy-3-nitro-[1,1-biphenyl]-3-carboxylic acid
ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate
Ethanone,1-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)-
3-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-5-methyl-1,2,4-oxadiazole
5-ALLYLOXY-3,6-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID BENZYL ESTER
4-[3-(1,3-BENZODIOXOL-5-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINE
Tricyclo[3.3.1.13,7]decane, 1-(4-nitrophenyl)
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PYRIDINE
methyl 5,5,5-trifluoro-4-(4-methylphenyl)iminopentanoate
methyl 5,5,5-trifluoro-4-(2-methylphenyl)iminopentanoate
methyl 5,5,5-trifluoro-4-(3-methylphenyl)iminopentanoate
2-(4-Amino-2-Methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid
4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
BENZYL 4-OXO-2-PROPYL-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
BENZYL 2-ISOPROPYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
3-amino-3-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanoic acid,hydrochloride
(Meso-1R,5S,6R)-Ethyl 3-Benzyl-2,4-Dioxo-3-Azabicyclo[3.1.0]Hexane-6-Carboxylate
(S)-MORPHOLINE-3,4-DICARBOXYLICACID4-TERT-BUTYLESTER
5-Trifluoromethylpyridine-3-boronic acid pinacol ester
1-(3-FLUOROBENZYL)-4-PIPERIDINECARBOXYLICACIDHYDROCHLORIDE
1-Benzyl-3-trifluoromethyl-pyrrolidine-3-carboxylic acid
2-[2-(2-amino-4-thiazolyl)ethyl]-1H-Isoindole-1,3(2H)-dione
6-(ALLYLOXY)-1-ETHYL-4-OXO-1,4-DIHYDROQUINOLINE-2-CARBOXYLIC ACID
3-[5-(2-METHYL-4-NITRO-PHENYL)-FURAN-2-YL]-ACRYLIC ACID
2-CYCLOHEXYL-1,3-DIOXO-2,3-DIHYDRO-1 H-ISOINDOLE-5-CARBOXYLIC ACID
5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
2-Trifluoromethylpyridine-4-boronic acid pinacol ester
Naphazoline nitrate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Naphazoline (Naphthazoline) nitrate is an α-adrenergic receptor agonist. Naphazoline nitrate reduces vascular hyperpermeability and promotes vasoconstriction. Naphazoline nitrate reduces the levels of inflammatory factors (TNF-α, IL-1β and IL-6), cytokines (IFN-γ and IL-4), IgE, GMCSF, and NGF。Naphazoline nitrate can be used for non-bacterial conjunctivitis research[1][2].
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
1,1,1,3,3,3-HEXAFLUORO-2-(4-(METHYLAMINO)PHENYL)PROPAN-2-OL
(1R,4R)-1-(AMINOMETHYL)-4-(4-FLUOROBENZYL)CYCLOHEXANOL HYDROCHLORIDE
6,7-Dimethoxy-4-(trifluoromethyl)quinolin-2(1H)-one
esketamine hydrochloride
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
METHYL3-{[2-(DIAMINOMETHYLENEAMINO)THIAZOL-4-YL]METHYLTHIO}PROPANIMIDATE
5-Nitro-2-(3-piperidinylmethoxy)pyridinehydrochloride
4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol
Methoxypolyethylene glycol succinate N-hydroxysuccinimide
2-(2-PYRIDIN-2-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE
2-(2-PYRIDIN-3-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE
2-(2-PYRIDIN-4-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE
2-(4-methoxy-N-methylsulfonylanilino)propanoic acid
2-(tert-Butyl)-3-hydroxy-4-(trifluoromethyl)isoindolin-1-one
2-(tert-Butyl)-3-hydroxy-5-(trifluoromethyl)isoindolin-1-one
4-[(Cyclopropylcarbonyl)amino]-2-(trifluoromethyl)benzoic acid
1-BOC-4-(METHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID
3-(4-Fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide
3-(2-PHENYL-IMIDAZOL-1-YL)-PROPYLAMINE DIHYDROCHLORIDE
6-PHENETHYLCARBAMOYL-CYCLOHEX-3-ENECARBOXYLIC ACID
5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,hydrochloride
(S)-(-)- 6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3- CARBOXYLIC ACID HYDROCHLORIDE
ETHYL 2-ISOPROPOXY-4-METHOXYBENZIMIDATE HYDROCHLORIDE
6-nitro-4-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonitrile
1-Methyl-1-propylpyrrolidinium hexafluorophosphate
1-tert-butoxycarbonylisoquinoline-3-carboxylic acid
1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl) ethanamine
3-(3-CYCLOPROPYL-1-OXOPROPYL)-4(R)-(1-PHENYLMETHYL)-2-OXAZOLIDINONE
1-(4-Trifluoromethylphenyl)piperidine-4-carboxylic acid
1-(4-FLUORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
2-Pyridin-4-yl-benzo[h]chromen-4-one
D004791 - Enzyme Inhibitors > D001571 - Benzoflavones
Ethyl morpholine-2-carboxylate 2,2,2-trifluoroacetate
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enoic acid
tert-butyl N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]carbamate
(3-(N-isopropylsulfamoyl)-4-Methoxyphenyl)boronic acid
5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Methyl 2-amino-5-(3-chloropropoxy)-4-methoxybenzoate
2-(tert-Butyl)-3-hydroxy-6-(trifluoromethyl)isoindolin-1-one
(R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine
2-(2-Chlorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
3-Amino-6-(4-methylphenyl)pyrazinecarboxylicacidethylester-4-oxide
Oxaflozane
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants
2-(Benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,2-Benzofuranboronic acid MIDA ester
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-1,3,4-oxadiazole
2-(2-Amino-4-Methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
armodafinil
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D064690 - Wakefulness-Promoting Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
6-[N-(2-chloropyrimidin-4-yl)amino]-2,3-dimethyl-2H-indazole
1-Benzyl-4-trifluoromethyl-pyrrolidine-3-carboxylic acid
Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-benzyl ester (7CI)
2-(TERT-BUTYL)-7-HYDRAZINO-5-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE
5-diethylaminomethyl-2-phenyl-furan-3-carboxylic acid
(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt
4-METHYL-N-(4-METHYL-BENZYLIDENE)BENZENESULFONAMIDE
(3aS,5R,6S,6aS)-[6-hydroxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl]-(morpholino)methanone
6-(trifluoromethyl)pyridine-2-boronic acid pinacol ester
1,6-Dihydro-4-hydroxy-2-methyl-6-oxo-1-phenyl-3-pyridinecarboxylic acid ethyl ester
[2-(3,4-DIFLUOROPHENYL)-2-HYDROXYETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
2-(tert-Butylamino)-3,4-chloropropiophenone hydrochloride
2-propenoic acid, 3-[2-[(3,5-dimethyl-4-isoxazolyl)methoxy
(S)-6,7 DIMETHOXY 1,2,3,4 TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLOIC ACID HYDROCHLORIDE
4-(6-Chloro-2-Methylsulfanyl-pyriMidin-4-ylaMino)-cyclohexanol
(2-{[1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methoxy}ethyl)amine hydrochloride
1-(4-METHOXY-2-NITROPHENYL)PIPERAZINE HYDROCHLORIDE
Viloxazine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
2-(2-amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
3-(1,2,3,4-TETRAHYDROQUINOLIN-2-YL)-2-(TRIFLUOROMETHYL) PROPIONIC ACID
D-ASPARTIC ACID, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, 4-(2-PROPENYL) ESTER
4-[2-(Methyl-2-pyridinyl)amino]ethoxyl nitrobenzene
{[5-(CYCLOHEXYLAMINO)-1,3,4-THIADIAZOL-2-YL]THIO}ACETIC ACID
1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)azetidine-3-carboxylic acid
N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide
1-[3-amino-5-[4-(tert-butyl)phenyl]-2-thienyl]ethan-1-one
2-oxo-7-aza-spiro[3.5]nonane-7-carboxylic acid benzyl ester
4,7-Methano-1H-(1,2)diazeto(3,4-f)benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
D000970 - Antineoplastic Agents > D020032 - Tyrphostins
4-(5-Methoxy-1,2-dimethyl-1h-indol-3-yl)thiazol-2-ylamine
2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
(R)-Carprofen
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
BENZOIC ACID, p-((2,4,6-TRIAMINO-5-PYRIMIDINYL)AZO)-
(E)-1-(4-methylphenyl)-3-quinolin-6-ylprop-2-en-1-one
N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine
2-[(4-Chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
2-(4-Chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide
1-[2-(3-Methoxyphenyl)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid
2-[4-(aminomethyl)phenyl]-3,5,7,8-tetrahydro-4H-thiino[4,3-d]pyrimidin-4-one
5-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2,4-pentadienamide
N-{[(2s,3s)-3-(Ethoxycarbonyl)oxiran-2-Yl]carbonyl}-L-Isoleucine
2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
5-Acetamido-5,6-Dihydro-4-Hydroxy-6-Isobutoxy-4h-Pyran-2-Carboxylic Acid
Prodolic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
5950-12-9
Piperlonguminine is an alkaloid amide isolated from the Piper species. Piperlonguminine shows various biological properties, including anti-inflammatory, antitumor, neuroprotective, anti-platelet, anti-melanogenic, antifungal and antibacterial activities[1][2][3][4]. Piperlonguminine is an alkaloid amide isolated from the Piper species. Piperlonguminine shows various biological properties, including anti-inflammatory, antitumor, neuroprotective, anti-platelet, anti-melanogenic, antifungal and antibacterial activities[1][2][3][4].
4-Methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-5,12-diol
(2S)-2-azaniumyl-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
N(2)-(3-carboxylatopropionyl)-L-arginine(1-)
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N(2)-succinyl-L-arginine, arising from deprotonation of the carboxy groups and protonation of the amino group; major species at pH 7.3.
L-alanyl-(2S,3E)-amino-4-methoxy-but-3-enoyl-L-alanine
(2S)-2-[[(E,2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methoxybut-3-enoyl]amino]propanoic acid
Ketalar
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
2-[[1-(4-Ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
(4-Amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide
4-[(2-Methoxy-1-naphthalenyl)methyl]thiomorpholine
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]pyrazole-3-carboxamide
N-(5-fluoro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-1-propanesulfonamide
2-(2,4-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
O-glutaconyl-L-carnitine
An O-acyl-L-carnitine where the acyl group specified is glutaconyl.
3-[1-(pentylamino)ethylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
4-[[2-Furanyl(oxo)methyl]amino]benzoic acid propan-2-yl ester
N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]cyclopropanecarboxamide
3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid
1-methyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
5-ethyl-3-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)-1H-indol-2-one
4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
methyl (4Z)-4-(furan-2-ylmethylidene)-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
3-(1,3-Benzoxazol-2-ylsulanyl)-5,5-dimethylcyclohex-2-en-1-one
2-(4-chlorophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
(4-Tert-butylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
O-glutaconylcarnitine
An O-acylcarnitine in which the acyl group specified is glutaconyl.
(2E)-7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hept-2-enoate
(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
[(2S)-1-(1H-indol-3-yl)-4-methyl-3-oxopentan-2-yl] acetate
2-(N-Benzyloxycarbonyl-N-methylamino)ethylphosphonic acid
(E)-3-(Ethoxycarbonylmethylene)-1-para-tolyl-2,5-pyrrolidinedione
carprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Carprofen is a nonsteroid anti-inflammatory agent, acts as a multi-target FAAH/COX inhibitor, with IC50s of 3.9 μM, 22.3 μM and 78.6 μM for COX-2, COX-1 and FAAH, respectively.
oscr#7(1-)
A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#7. The conjugate base of oscr#7 and the major species at pH 7.3.
SIB-1553A
SIB-1553A is an orally bioavailable nicotinic acetylcholine receptors (nAChRs) agonist, with selectivity for β4 subunit-containing nAChRs. SIB-1553A is also a selective neuronal nAChR ligand. SIB-1553A is a cognitive enhancer, and has therapeutic potential for the symptomatic treatment of Alzheimer’s disease and other cognitive disorders[1][2].
1-[(3r)-2,3-dihydroxy-5-(3-methylbut-2-en-1-yl)indol-3-yl]propan-2-one
5-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one
9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl 2-phenylacetate
(1r,10r,12s)-4-methoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene-5,12-diol
9-methoxy-2,2-dimethylpyrano[3,2-c]quinoline-5,7-diol
(2r)-2-(2-methoxypropan-2-yl)-9-methyl-2h,3h-furo[2,3-b]quinolin-4-one
8,10-dimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),2,5,7,9,11(15)-hexaene
4-methoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one
(10s,12s)-5-methoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene-4,12-diol
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-15-ol
(1s,15r,16r)-4-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraene-5,15-diol
4-hydroxy-2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}benzoic acid
16-methoxy-2-methyl-4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),3(7),5,9,11(15)-pentaen-8-one
(2z,4z)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)penta-2,4-dienimidic acid
2-benzamidobenzoic acid; 2',4-dihydroxy
{"Ingredient_id": "HBIN005343","Ingredient_name": "2-benzamidobenzoic acid; 2',4-dihydroxy","Alias": "NA","Ingredient_formula": "C14H11NO5","Ingredient_Smile": "NA","Ingredient_weight": "273.24","OB_score": "NA","CAS_id": "115610-40-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8694","PubChem_id": "NA","DrugBank_id": "NA"}
