Exact Mass: 287.1092
Exact Mass Matches: 287.1092
Found 500 metabolites which its exact mass value is equals to given mass value 287.1092,
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].
Galantamine
Galanthamine is a benzazepine alkaloid isolated from certain species of daffodils. It has a role as an antidote to curare poisoning, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a cholinergic drug, an EC 3.1.1.8 (cholinesterase) inhibitor and a plant metabolite. It is an organic heterotetracyclic compound, a tertiary amino compound, a benzazepine alkaloid and a benzazepine alkaloid fundamental parent. It is a conjugate base of a galanthamine(1+). Galantamine is a tertiary alkaloid and reversible, competitive inhibitor of the acetylcholinesterase (AChE) enzyme, which is a widely studied therapeutic target used in the treatment of Alzheimers disease. First characterized in the early 1950s, galantamine is a tertiary alkaloid that was extracted from botanical sources, such as Galanthus nivalis. Galantamine was first studied in paralytic and neuropathic conditions, such as myopathies and postpolio paralytic conditions, and for reversal of neuromuscular blockade. Following the discovery of its AChE-inhibiting properties, the cognitive effects of galantamine were studied in a wide variety of psychiatric disorders such as mild cognitive impairment, cognitive impairment in schizophrenia and bipolar disorder, and autism; however, re-development of the drug for Alzheimer’s disease did not commence until the early 1990s due to difficulties in extraction and synthesis. Galantamine blocks the breakdown of acetylcholine in the synaptic cleft, thereby increasing acetylcholine neurotransmission. It also acts as an allosteric modulator of the nicotinic receptor, giving its dual mechanism of action clinical significance. The drug was approved by the FDA in 2001 for the treatment of mild to moderate dementia of the Alzheimers type. As Alzheimers disease is a progressive neurodegenerative disorder, galantamine is not known to alter the course of the underlying dementing process. Galantamine works to block the enzyme responsible for the breakdown of acetylcholine in the synaptic cleft, thereby enhancing cholinergic neuron function and signalling. Under this hypothesized mechanism of action, the therapeutic effects of galantamine may decrease as the disease progression advances and fewer cholinergic neurons remain functionally intact. It is therefore not considered to be a disease-modifying drug. Galantamine is marketed under the brand name Razadyne, and is available as oral immediate- and extended-release tablets and solution. Galantamine is a Cholinesterase Inhibitor. The mechanism of action of galantamine is as a Cholinesterase Inhibitor. Galantamine is an oral acetylcholinesterase inhibitor used for therapy of Alzheimer disease. Galantamine is associated with a minimal rate of serum enzyme elevations during therapy and has not been implicated as a cause of clinically apparent liver injury. Galantamine is a natural product found in Pancratium trianthum, Lycoris sanguinea, and other organisms with data available. A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders. See also: Galantamine Hydrobromide (active moiety of). A benzazepine derived from norbelladine. It is found in galanthus and other amaryllidaceae. Galantamine is a cholinesterase inhibitor that has been used to reverse the muscular effects of gallamine triethiodide and tubocurarine, and has been studied as a treatment for Alzheimers disease and other central nervous system disorders. [PubChem] D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents A benzazepine alkaloid isolated from certain species of daffodils. C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM. Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM.
Mesembrenone
Mesembrenone is a member of pyrrolidines. Mesembrenone is a natural product found in Bergeranthus scapiger, Oscularia deltoides, and other organisms with data available.
Etodolac
Etodolac is only found in individuals that have used or taken this drug. It is a non-steroidal anti-inflammatory drug (NSAID) with anti-inflammatory, analgesic and antipyretic properties. Its therapeutic effects are due to its ability to inhibit prostaglandin synthesis. It is indicated for relief of signs and symptoms of rheumatoid arthritis and osteoarthritis. Similar to other NSAIDs, the anti-inflammatory effects of etodolac result from inhibition of the enzyme cycooxygenase (COX). This decreases the synthesis of peripheral prostaglandins involved in mediating inflammation. Etodolac binds to the upper portion of the COX enzyme active site and prevents its substrate, arachidonic acid, from entering the active site. Etodolac was previously thought to be a non-selective COX inhibitor, but it is now known to be 5 – 50 times more selective for COX-2 than COX-1. Antipyresis may occur by central action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat loss. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents KEIO_ID E034; [MS2] KO008956 KEIO_ID E034
Dihydromorphine
Dihydromorphine is a metabolite of Hydromorphone. Dihydromorphine is a semi-synthetic opioid structurally related to and derived from morphine. The 7,8-double bond in morphine is reduced to a single bond to get dihydromorphine. (Wikipedia) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
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].
Ritodrine
Ritodrine is only found in individuals that have used or taken this drug. It is an adrenergic beta-agonist used to control premature labor. [PubChem]Ritodrine is beta-2 adrenergic agonist. It binds to beta-2 adrenergic receptors on outer membrane of myometrial cell, activates adenyl cyclase to increase the level of cAMP which decreases intracellular calcium and leads to a decrease of uterine contractions. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
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
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
Gabazine
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists
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
Piperanine
Isolated from pepper. Piperanine is found in herbs and spices and pepper (spice). Piperanine is found in herbs and spices. Piperanine is isolated from pepper.
Feruperine
Alkaloid from pepper (Piper nigrum) (Piperaceae). Feruperine is found in herbs and spices and pepper (spice). Feruperine is found in herbs and spices. Feruperine is an alkaloid from pepper (Piper nigrum) (Piperaceae).
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].
Nordihydrocodeine
Nordihydrocodeine belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
6alpha-Hydroxy-hydromorphone
6alpha-Hydroxy-hydromorphone is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
6beta-Hydroxy-hydromorphone
6beta-Hydroxy-hydromorphone is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
Dihydroisomorphine
Dihydroisomorphine is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
(2E)-Hexenedioylcarnitine
(2E)-Hexenedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-hexenedioic 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. (2E)-Hexenedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-Hexenedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
(2E)-3-Methylpent-2-enedioylcarnitine
(2E)-3-methylpent-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-3-methylpent-2-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. (2E)-3-methylpent-2-enedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (2E)-3-methylpent-2-enedioylcarnitine 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. In particular (2E)-3-methylpent-2-enedioylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutarylCoA lyase deficiency (PMID: 32685354). (2E)-3-methylpent-2-enedioylcarnitine is elevated in the urine of individuals with 3-methylglutaconic aciduria (PMID: 7850987). 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].
Hex-3-enedioylcarnitine
hex-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an hex-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. hex-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine hex-3-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
(E)-3-(4-Chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
Ritodrina
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
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
Hydromorphine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
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
Epigalanthamin
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D004791 - Enzyme Inhibitors
7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
Thesinine
Thesinine is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. Thesinine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Thesinine can be found in borage, which makes thesinine a potential biomarker for the consumption of this food product. Thesinine is a pyrrolizidine alkaloid first isolated from Thesium minkwitzianum from which it derives its name. It is also found in the flowers and seeds of borage .
indole-3-acetyl-isoleucine
Indole-3-acetyl-isoleucine is also known as iaa-ile. Indole-3-acetyl-isoleucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-isoleucine can be found in a number of food items such as oriental wheat, brazil nut, corn, and cauliflower, which makes indole-3-acetyl-isoleucine a potential biomarker for the consumption of these food products.
indole-3-acetyl-leucine
Indole-3-acetyl-leucine is also known as iaa-leu. Indole-3-acetyl-leucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-leucine can be found in a number of food items such as prairie turnip, pecan nut, common sage, and saffron, which makes indole-3-acetyl-leucine a potential biomarker for the consumption of these food products.
1-hydroxy-3,6-dimethoxy-1,2-dimethyl-9H-carbazol-4-one
Benzoic acid, 4-hydroxy-2-((2-hydroxybenzoyl)amino)-, methyl ester
2-acetamido-3,6-anhydro-2-deoxy-5-O-isovaleryl-D-glucofuranose|furanodictine A
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.
9,14,14b,15-tetrahydro-8H-pyrido[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole|Naufolin|Naufoline
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
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
C.I. Basic Red 9
D004396 - Coloring Agents > D012394 - Rosaniline Dyes D005404 - Fixatives CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6850; ORIGINAL_PRECURSOR_SCAN_NO 6849 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6885; ORIGINAL_PRECURSOR_SCAN_NO 6883 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6893; ORIGINAL_PRECURSOR_SCAN_NO 6892 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6896; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6827; ORIGINAL_PRECURSOR_SCAN_NO 6826 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6868; ORIGINAL_PRECURSOR_SCAN_NO 6867
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].
CAR 6:2;O2
Benzamide, N-[(4-hydroxyphenyl)methyl]-3,4-dimethoxy
4-tert-butyl-2-[3-(trifluoromethyl)phenyl]morpholine
N-(4-AMINO-6,7-DIMETHOXYQUINAZOL-2-YL)-N-METHYL-2-CYANOETHYLAMINE
Methyl 4-(1-aminocyclopropyl)benzoate methanesulfonate (1:1)
2-Amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3-Pyrrolidinecarboxylic acid, 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-_4-(trifluoromethyl)_benzenamine
3-AZIDO-3-DEOXY-1,2:5,6-DI-O-ISOPROPYLIDENE-α-D-GLUCOFURANOSE
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
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
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(2-METHOXY-2-OXOETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)aniline
Carbamimidothioic acid,N-cyano-N-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-, methyl ester
[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine
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
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
7,7-dimethyl-3-(thiophen-2-ylmethyl)-6,8-dihydro-1H-quinoline-2,5-dione
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
ETHYL 7-METHYL-2-(2-THIENYL)PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
8-METHYL-QUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
5-(4-(ACETYLAMINO)PHENYL)-1H-IMIDAZOLE-2-ACETIC ACID ETHYL ESTER
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline
(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-
1-[4-(5-Nitro-1H-indol-3-yl)-1-piperidinyl]ethanone
Methyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
5-METHOXY-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE
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
3-amino-N,N-diethyl-4-(2-hydroxyethylamino)benzenesulfonamide
Ethyl N-[(5-amino-1-phenyl-1H-pyrazol-4-yl)-carbonyl]ethanehydrazonoate
3,6-Acridinediamine,N6,N6,2-trimethyl-, hydrochloride (1:1)
1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(phenylmethyl)-
(3-(N-(tert-butyl)sulfamoyl)-4-Methoxyphenyl)boronic acid
1-(4-(4-Amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone
TRANS-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid
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
besipirdine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
(2Z)-3-(Acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoic acid methyl ester
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
9-ACETYL-7-METHYL-2-MORPHOLINO-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
1-[2-Hydroxy-3-nitro-5-(phenylmethoxy)phenyl]ethanone
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
trolamine salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-[4-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERAZIN-1-YL]ETHANONE
Gonyautoxin IV
From Gonyaulax and Protogonyaulax subspecies Gonyautoxin IV is found in mollusks.
4-methoxy-3-(n,n-diethylsulfamoyl)phenylboronic acid
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
1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
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
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
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
(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
N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-2-furancarboxamide
2-[6-(Methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-1-(4-methylphenyl)guanidine
(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
(2S,3R)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
2-benzylidene-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
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
2-(4-Chlorophenyl)-5-(1-piperidinyl)-4-oxazolecarbonitrile
1-(2-Ethyl-6-methylphenyl)-3-[(1-methyl-2-pyrrolyl)methyl]thiourea
6-[(4-Chloroanilino)methylidene]-3-prop-2-enoxy-1-cyclohexa-2,4-dienone
5,7-dimethyl-3-(4-methylphenyl)-3H-pyrido[4,3,2-de]quinazoline
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
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
N-butyl-1,6-dihydro-5-(4-hydroxyphenyl)-6-oxo-2-pyrazinecarboxamide
(2E)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]oct-2-enoate
(E,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoct-2-enoate
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
1-Methyl-3-methoxycarbonyl-5-trimethylsilyl-2-phenylpyrrole
6,11-Phenylimino-5,6-dihydropyrrolo(1,2-C)(1,3)benzodiazepin-5-one
2,4-Diethyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
Gabazine
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists
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
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
2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
oscr#13(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#13, obtained by deprotonation of the carboxy group; major species at pH 7.3.
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.
O-[(2E)-hexenedioyl]carnitine
An O-acylcarnitine having (2E)-hexenedioyl as the acyl substituent.
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
(2e)-3-(4-hydroxy-3-methoxyphenyl)-n-[2-(3h-imidazol-4-yl)ethyl]prop-2-enimidic 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
n-{2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl}ethanimidic acid
(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)-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"}
