Exact Mass: 324.1645
Exact Mass Matches: 324.1645
Found 500 metabolites which its exact mass value is equals to given mass value 324.1645,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Citalopram
Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety; Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). It is sold under the brand-names Celexa (U.S., Forest Laboratories, Inc.), Cipramil, Seropram (Europe and Australia) and Ciazil (Australia); A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety. Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety; Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). It is sold under the brand-names Celexa (U.S., Forest Laboratories, Inc.), Cipramil, Seropram (Europe and Australia) and Ciazil (Australia); A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
Oxyphenbutazone
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Oxyphenbutazone is a Phenylbutazone (HY-B0230) metabolite, with anti-inflammatory effect. Oxyphenbutazone is an orally active non-selective COX inhibitor. Oxyphenbutazone selectively kills non-replicating Mycobaterium tuberculosis[1][2].
Quinine
Quinine is a cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. It has a role as an antimalarial, a muscle relaxant and a non-narcotic analgesic. It is a conjugate base of a quinine(1+). It derives from a hydride of an (8S)-cinchonan. An alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. Quinine is an Antimalarial. Quinine is a natural cinchona alkaloid that has been used for centuries in the prevention and therapy of malaria. Quinine is also used for idiopathic muscle cramps. Quinine therapy has been associated with rare instances of hypersensitivity reactions which can be accompanied by hepatitis and mild jaundice. Quinine is a natural product found in Cinchona calisaya, Cinchona officinalis, and other organisms with data available. Quinine is a quinidine alkaloid isolated from the bark of the cinchona tree. Quinine has many mechanisms of action, including reduction of oxygen intake and carbohydrate metabolism; disruption of DNA replication and transcription via DNA intercalation; and reduction of the excitability of muscle fibers via alteration of calcium distribution. This agent also inhibits the drug efflux pump P-glycoprotein which is overexpressed in multi-drug resistant tumors and may improve the efficacy of some antineoplastic agents. (NCI04) Quinine is an alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. An alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. See also: Quinine Sulfate (active moiety of); Quinine salicylate (active moiety of); Quinine arsenite (active moiety of) ... View More ... Quinine is an alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. [PubChem]. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BC - Methanolquinolines A cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000700 - Analgesics It is used in tonics and bitter drinks [Raw Data] CB141_Quinine_pos_10eV_CB000051.txt [Raw Data] CB141_Quinine_pos_20eV_CB000051.txt [Raw Data] CB141_Quinine_pos_40eV_CB000051.txt [Raw Data] CB141_Quinine_pos_50eV_CB000051.txt [Raw Data] CB141_Quinine_pos_30eV_CB000051.txt Quinine is an alkaloid derived from the bark of the cinchona tree, acts as an anti-malaria agent. Quinine is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2]. Quinine is an alkaloid derived from the bark of the cinchona tree, acts as an anti-malaria agent. Quinine is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
Dolasetron
Dolasetron is an antinauseant and antiemetic agent indicated for the prevention of nausea and vomiting associated with moderately-emetogenic cancer chemotherapy and for the prevention of postoperative nausea and vomiting. Dolasetron is a highly specific and selective serotonin 5-HT3 receptor antagonist. This drug has not shown to have activity at other known serotonin receptors, and has low affinity for dopamine receptors. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
Piperonyl sulfoxide
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
5-(galactosylhydroxy)-L-lysine
Galactosylhydroxylysine is released during bone resorption and elevated in subjects with metabolic bone loss. Galactosylhydroxylysine is a sensitive and specific marker of bone resorption. (PMID 10222355).
Quinidine
Crystals or white powder. (NTP, 1992) Quinidine is a cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. It has a role as an alpha-adrenergic antagonist, an antimalarial, an anti-arrhythmia drug, a sodium channel blocker, a muscarinic antagonist, a potassium channel blocker, a P450 inhibitor, an EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor, an EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor and a drug allergen. It derives from a hydride of a cinchonan. Quinidine is a D-isomer of [quinine] present in the bark of the Cinchona tree and similar plant species. This alkaloid was first described in 1848 and has a long history as an antiarrhythmic medication. Quinidine is considered the first antiarrhythmic drug (class Ia) and is moderately efficacious in the acute conversion of atrial fibrillation to normal sinus rhythm. It prolongs cellular action potential by blocking sodium and potassium currents. A phenomenon known as “quinidine syncope” was first described in the 1950s, characterized by syncopal attacks and ventricular fibrillation in patients treated with this drug. Due to its side effects and increased risk of mortality, the use of quinidine was reduced over the next few decades. However, it continues to be used in the treatment of Brugada syndrome, short QT syndrome and idiopathic ventricular fibrillation. Quinidine is an Antiarrhythmic and Cytochrome P450 2D6 Inhibitor. The mechanism of action of quinidine is as a Cytochrome P450 2D6 Inhibitor. Quinidine is a natural cinchona alkaloid which has potent antiarrhythmic activity and has been used for decades in the treatment of atrial and ventricular arrhythmias. Quinidine has been associated with fever, mild jaundice and clinically apparent liver injury in up to 2\\\\% of treated patients. Quinidex is a natural product found in Cinchona calisaya, Aspidosperma excelsum, and other organisms with data available. Quinidine is an alkaloid extracted from the bark of the Cinchona tree with class 1A antiarrhythmic and antimalarial effects. Quinidine stabilizes the neuronal membrane by binding to and inhibiting voltage-gated sodium channels, thereby inhibiting the sodium influx required for the initiation and conduction of impulses resulting in an increase of the threshold for excitation and decreased depolarization during phase 0 of the action potential. In addition, the effective refractory period (ERP), action potential duration (APD), and ERP/APD ratios are increased, resulting in decreased conduction velocity of nerve impulses. Quinidine exerts its antimalarial activity by acting primarily as an intra-erythrocytic schizonticide through association with the heme polymer (hemazoin) in the acidic food vacuole of the parasite thereby preventing further polymerization by heme polymerase enzyme. This results in accumulation of toxic heme and death of the parasite. An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. See also: Quinidine Gluconate (active moiety of); Quinidine Sulfate (active moiety of); Quinidine polygalacturonate (is active moiety of). An optical isomer of quinine, extracted from the bark of the Cinchona tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular action potential, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. [PubChem] C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS [Raw Data] CBA33_Quinidine_pos_50eV_1-1_01_1622.txt [Raw Data] CBA33_Quinidine_pos_30eV_1-1_01_1620.txt [Raw Data] CBA33_Quinidine_pos_40eV_1-1_01_1621.txt [Raw Data] CBA33_Quinidine_pos_20eV_1-1_01_1619.txt [Raw Data] CBA33_Quinidine_pos_10eV_1-1_01_1616.txt Quinidine (15\\% dihydroquinidine) is an antiarrhythmic agent. Quinidine is a potent, orally active, selective cytochrome P450db inhibitor. Quinidine is also a K+ channel blocker with an IC50 of 19.9 μM, and can induce apoptosis. Quinidine can be used for malaria research[1][2][3][4]. Quinidine (15\% dihydroquinidine) is an antiarrhythmic agent. Quinidine is a potent, orally active, selective cytochrome P450db inhibitor. Quinidine is also a K+ channel blocker with an IC50 of 19.9 μM, and can induce apoptosis. Quinidine can be used for malaria research[1][2][3][4].
2,3-Epoxymenaquinone
This compound belongs to the family of Vitamin K Compounds. These are quinone lipids containing a methylated naphthoquinone ring structure, and vary in the aliphatic side chain attached at the 3-position.
dolasetron
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
Bindarit
Bindarit has been used in trials studying the prevention and treatment of Coronary Restenosis and Diabetic Nephropathy. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
Escitalopram
Escitalopram is a furancarbonitrile that is one of the Serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Escitalopram (Cipralex) is a medication developed by the Danish pharmaceutical company Lundbeck, that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD. In the United States, the drug is marketed under the name Lexapro by Forest Laboratories, Inc; Escitalopram is a medication that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD; Discontinuation from antidepressants, especially abruptly, has been known to cause certain withdrawal symptoms. One possible discontinuation symptom from Escitalopram is a type of spontaneous nerve pulse known as paresthesia or electric shock sensations, described by some patients as a feeling of small electric shocks, which may be accompanied by dizziness. These pulses may be short in duration, only milliseconds long, may affect any region of the body, and recur up to several times a minute, throughout all waking hours. They can be increased by physical activity, but are not solely linked to muscular activity. Other discontinuation symptoms include extreme sensitivity to loud sounds and bright lights, chills, hot flushes, cold sweats, reddening of the face, abdominal pain, weight gain and extreme mental fatigue. A furancarbonitrile that is one of the Serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Escitalopram (Cipralex) is a medication developed by the Danish pharmaceutical company Lundbeck, that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD. In the United States, the drug is marketed under the name Lexapro by Forest Laboratories, Inc; Escitalopram is a medication that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD; Discontinuation from antidepressants, especially abruptly, has been known to cause certain withdrawal symptoms. One possible discontinuation symptom from Escitalopram is a type of spontaneous nerve pulse known as paresthesia or electric shock sensations, described by some patients as a feeling of small electric shocks, which may be accompanied by dizziness. These pulses may be short in duration, only milliseconds long, may affect any region of the body, and recur up to several times a minute, throughout all waking hours. They can be increased by physical activity, but are not solely linked to muscular activity. Other discontinuation symptoms include extreme sensitivity to loud sounds and bright lights, chills, hot flushes, cold sweats, reddening of the face, abdominal pain, weight gain and extreme mental fatigue. [HMDB] N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
Valaciclovir
Valaciclovir (INN) or valacyclovir (USAN) is an antiviral drug used in the management of herpes simplex and herpes zoster (shingles). It is a prodrug, being converted in vivo to aciclovir. It is marketed by GlaxoSmithKline under the trade name Valtrex or Zelitrex. [Wikipedia] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Monoacetoxyscirpenol
Monoacetoxyscirpenol is a mycotoxin from Fusarium roseum and Fusarium sulphureu D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Blumealactone C
Blumealactone C is found in tea. Blumealactone C is a constituent of Blumea balsamifera (sambong) Constituent of Blumea balsamifera (sambong). Blumealactone C is found in tea.
4-Acetoxyscirpene-3,15-diol
4-Acetoxyscirpene-3,15-diol is a mycotoxin from Fusarium roseum and Fusarium sulphureu D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Mycotoxin from Fusarium roseum and Fusarium sulphureum
AF Toxin II
AF Toxin II is found in fruits. AF Toxin II is produced by Alternaria alternata on strawberry. Phytotoxin specific to strawberry and pear. Production by Alternaria alternata on strawberry. Phytotoxin specific to strawberry and pear. AF Toxin II is found in pomes and fruits.
3-Acetoxyscirpene-4,15-diol
3-Acetoxyscirpene-4,15-diol is a metabolite of Fusarium oxysporum. Mycotoxi
(R)-(6-Methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol
5-(Galactosylhydroxy)-L-Lysine
(2S,5R)-2,6-Diamino-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
Component of collagen
4-Butyl-5-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-1H-pyrazol-3(2H)-one
(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-3-yl)methanol
Bindarit
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
Ditazole
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
epsilon-Deoxy-fructosyl-lysine
galactosyl hydroxylysine
1,2-Diphenyl-3,5-dioxo-4-(3-hydroxybutyl)pyrazolidine
L-Prolinamide, 5-oxo-L-prolyl-L-norvalyl-
Nitracrine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000970 - Antineoplastic Agents
Tecastemizole
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Tecastemizole (Norastemizole), a major metabolite of Astemizole, is a potent and selective H1 receptor antagonist. Tecastemizole shows anti-inflammatory activities[1].
D-Valacyclovir
O-Galactosyl-5-hydroxylysine
Citalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent EAWAG_UCHEM_ID 2901; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 2901 CONFIDENCE standard compound; INTERNAL_ID 8590 D049990 - Membrane Transport Modulators
4alpha,10alpha-Hydroxy-8-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide
14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A
3,5-Dimethoxy-4-hydroxy-4-(3,3-dimethylallyl) stilbene
(1S,5R,6S)-5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-4-oxo-2-cyclohexen-1-yl (2E)-2-methyl-2-butenoate
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(4-methylpiperazino)acetamide
NPE_325.1547_12.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1101
[(1R,5S,6S)-5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-2-methylbut-2-enoate
3-Tigloyl,7-Ac-(3beta,5alpha)-3,5,7-Trihydroxy-p-menth-1-en-6-one|7-Acetoxy-5alpha-hydroxy-3beta-tigloyloxycarvotacetone
1-O-beta-D-fructofuranosyl-2R,5R-dihydroxymethyl-3R,4R-dihydroxypyrrolidine
11alpha-hydroxycinnamosmolide|9alpha,11alpha-dihydroxy,6beta-acetyl-cinnamolide
1,3-dimethoxy-5-[2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]benzene
8alpha,10beta-dihydroxy-11alpha-acetoxyslov-3-enolide
3,7-seco-cura-2(7),19-dien-17-oic acid methyl ester|Desformylstemmadenin|Desformylstemmadenine
15-O-acetyl-3-deoxy-11alpha,13-dihydroxy-11,13-dihydroamphoricarpolide
(19S)-17,19-epoxy-1-methyl-(20alphaH)-19,20-dihydro-sarpagan-21alpha-ol|Talpinin|Talpinine
(1S,4S,5S,6S,7S,10R)-1,4-dihydroxy-15-acetoxyeudesm-11(13)-en-6,12-olide
1,2-Dihydro-(Z,Z)-1,15-Diisothiocyanato-1,14-pentadecadiene
2-prenyl-3-hydroxy-5,4-dimethoxystilbene|3-hydroxy-5,4-dimethoxy-2-prenylstilbene|4,5-Di-Me ether-3,4,5-Trihydroxy-2-prenylstilbene
6-Methyl-2-oxo-tetrahydro-pyran-3-carbonsaeure-(N,N-diphenyl-hydrazid)|6-methyl-2-oxo-tetrahydro-pyran-3-carboxylic acid-(N,N-diphenyl-hydrazide)
5-methyl-6-[10-(12,12-dimethyl-13beta-hydroxy-16-methenylcyclohexyl)methyl]-1,4-naphthalenedione|cordiaquinone M
4-[2-(3,5-dimethoxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)phenol
3-Ethyl-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10,11-trione
2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-4-(3-methoxy-1oxobutyl)-2-methylfuran-3(2H)-one|huaspenone A
3beta-acetoxy-1beta,10alpha-epoxy-15-hydroxygermacra-4Z-en-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide C
3beta-acetoxy-1alpha,15-dihydroxygermacra-4Z,9Z-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide A
15-acetoxy-1beta,3beta-dihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide E
3beta-acetoxy-1beta,15-dihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide F
10-oxo-10-(2,3,5-trihydroxy-4-methylphenyl)decanoic acid
5-Ethyl-7,12-ethano-6,5-(iminopropano)-6-hydroxy-2,3,4,5,6,7-hexahydro-1H-1-benzoazonine-13,17(7)-diene-2,16-dione
3alpha-acetoxy-1alpha,8beta-dihydroxyeudesm-7(11)-en-8,12-olide
1-acetyl-condyfol-14(19)-en-11-ol|N-Acetyl-11-hydroxy-aspidospermatidin
O-beta-D-Glucopyranoside-16-Ethenyloxayohimban-17-ol
(?)-(2R,3R,5S,6S,7R,8S,11S)-8-acetoxy-3,4-dihydroxyguai-11-H-1(10)-en-6,12-olide|argyinolide F
12-Methoxy-B(9a)-homo-C-nor-ibogamin-9a-on|12-methoxy-B(9a)-homo-C-nor-ibogamin-9a-one
2,7-dihydro-1,16-cyclo-coryn-19-en-17-oic acid methyl ester|2,7-Dihydro-pleiocarpamin|2,7-dihydro-pleiocarpamine|pleiocarpamine
(7S,11S)-(+)-12-acetoxysydonic acid|4-[(2S,6S)-7-acetoxy-2-hydroxy-6-methylheptan-2-yl]-3-hydroxybenzoic acid
6alpha-acetoxy-1beta,4alpha-dihydroxy-eudesm-11(13)-en-12,8alpha-olide
(1S)-2xi-(6-Methoxy-[4]chinolyl)-6endo-vinyl-1-aza-bicyclo[3.2.2]nonan-3xi-ol|(1S)-2xi-(6-methoxy-[4]quinolyl)-6endo-vinyl-1-aza-bicyclo[3.2.2]nonan-3xi-ol
(5R,6R,7R,8S,10S,11S)-8-acetoxy-14,15-dihydroxyelema-1,3-dien-6,12-olide
1-acetoxy-6alpha,14-dihydroxy-4alphaH-1,10-secoeudesma-5(10),11(13)-dien-12,8beta-olide
5alpha-hydroperoxy-9beta-acetoxyeudesm-4(15),11(13)-dien-12-oic acid
1,2-Dehydro-beninin|1,2-Dehydrobeninin|1,2-didehydro-beninine|ent-6beta,21-epoxy-17-methoxy-1,2-didehydro-aspidospermidine
2-(2-Methoxy-4-methylphenyl)glycerol 1-isobutyrate 3-acetate
3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
8-Oxo,15alpha-hydroxy-(+)-Aristoteline|aristolasicolone
1-Ac-1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide|1alpha-acetoxy-5beta,8alpha-dihydroxyeudesm-4(15)-en-6beta,11betaH-12,6-olide
Citalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1513 CONFIDENCE standard compound; INTERNAL_ID 4118
Bindarit
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
C17H24O6_2-Butenoic acid, 2-methyl-, (1S,5R,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-yl ester, (2E)
Escitalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
[(1R,5S,6S)-5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-2-methylbut-2-enoate_major
13-ethyl-2,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one
13-ethyl-16,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one
13-Ethyl-6a,17-dihydroxy-18,19-dinor-17a-pregna-4,9,11-trien-20-yn-3-one
Lexapro
Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
AF Toxin II
3-Acetoxyscirpene-4,15-diol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Blumealactone C
4-Acetoxyscirpene-3,15-diol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Deacetylanguidin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
amphotalide
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Glyoctamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
5-Tert-Butyl 2-Ethyl 3-Amino-6,6-Dimethylpyrrolo[3,4-C]Pyrazole-2,5(4H,6H)-Dicarboxylate
TERT-BUTYL SPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE HYDROCHLORIDE
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]benzamide
2-[1,4]DIAZEPAN-1-YL-1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOLE
1-(3-FLUOROPHENYL)-5-[(PIPERIDIN-1-YL)METHYL]-1H-BENZIMIDAZOL-2-YL]AMINE
1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE
N-PYRIDIN-4-YL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
2-((4-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE
Benzoic acid, 2-amino-4-Methoxy-5-[3-(4-Morpholinyl)propoxy]-, Methyl ester
1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, METHYL ESTER
2-[(2-tert-Butyldimethylsilyl)thienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Di-tert-butyl (6-amino-2-Methylpyrimidin-4-yl)carbamate
1,5-Diphenyl-3-(2-phenylvinyl)-4,5-dihydro-1H-pyrazole
Propylene glycol, fumaric acid, dicyclopentadiene polymer
2-[3-(4-tert-Butoxycarbonyl-1-piperazinyl)-2-pyrazinyloxy]ethanol
4,4,7-TRIETHOXY-7-METHYL-3,8-DIOXA-4,7-DISILADECANE
1-benzyloxy-3-propionyloxy-2-(propionyloxy)methoxypropane
N-Pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
CARBINOL (HYDROXYL) TERMINATED POLYDIMETHYLSILOXANE
1H-BenziMidazole-7-carboxaMide, 2-[(2S)-2-Methyl-2-pyrrolidinyl]-, hydrochloride (1:2)
4,4-Difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene
2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methy lbenzenesulfonate
((2S)-1-(-2-NITROVINYL)-2,3-DIPHENYLPYRROLIDIN-2-YL)METHANOL
4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
1,2,3,4-Butanetetrol,1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]-2-pyrazinyl]-, (1R,2S,3R)-
2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoate
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
2,3,5,5,6,6,8,9-Octamethyl-5,6-dihydrodibenzo[c,e][1,2]disiline
1-[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidine
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-6-isobutoxybenzenolate
Valacyclovir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Tecastemizole
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Tecastemizole (Norastemizole), a major metabolite of Astemizole, is a potent and selective H1 receptor antagonist. Tecastemizole shows anti-inflammatory activities[1].
Ditazole
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
[11-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-10-yl] acetate
(2E)-4-{methyl[3-phenyl-3-(pyridin-2-yl)propyl]amino}-4-oxobut-2-enoic acid
3alpha-Acetoxy-7alpha,15-dihydroxy-12,13-epoxytrichothec-9-ene
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6-diamino-5-hydroxyhexanoate
2,6-diamino-2-[3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoic acid
[3-carboxy-2-[(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoyl]oxypropyl]-trimethylazanium
8-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
6-Amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Guignardone N
A meroterpenoid found in Guignardia and Fusarium species and shown to exhibit inhibitory activity against Candida albicans growth.
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
3-Methyl-N-[(E)-[4-[(4-methylpyridin-2-yl)amino]-4-oxobutan-2-ylidene]amino]benzamide
N-[5-[2-(4-morpholinyl)ethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
(4-Benzyl-piperazin-1-yl)-(4-nitro-benzylidene)-amine
N-[6-[[cyclohexyl(oxo)methyl]amino]-3-pyridinyl]-2-pyridinecarboxamide
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
[4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)phenyl]-N-methylmethanaminium
(6E)-8-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2,6-dimethyloct-6-enoic acid
5,6-dihydroxy-1-[(2S)-4-phenylbutan-2-yl]indole-7-carboxamide
(3S)-4alpha-Isopropyl-3alpha,5beta-dihydroxy-1-[(hydroxy)methyl]-1-cyclohexen-6-one 3-[(E)-2-methyl-2-butenoate]5-acetate
2,3,5,6-Benzo-1,1,4,4-tetraethyl-1,4-disilacyclohexa-2,5-diene
G-29701
A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Oxyphenbutazone is a Phenylbutazone (HY-B0230) metabolite, with anti-inflammatory effect. Oxyphenbutazone is an orally active non-selective COX inhibitor. Oxyphenbutazone selectively kills non-replicating Mycobaterium tuberculosis[1][2].
Piperonyl sulfoxide
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Anzemet
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
Tetraneurin E
A sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substituents at positions 6, 6a, 9, and 9a respectively.
Desacetylanguidine
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(2S)-6-amino-2-{N-hydroxy[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}hexanoic acid
Nitracrine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000970 - Antineoplastic Agents
yanuthone I
A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-hydroxymethylcyclohex-2-en-1-one which is substituted at position 6 by a (2E)-7-carboxy-3-methyloct-2-en-1-yl group (the R,R,R stereoisomer).
(2z)-2-[(1-hydroxy-4-oxocyclohexyl)methyl]-3-[(4-methoxyphenyl)methyl]but-2-enedinitrile
5-(acetyloxy)-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl 2-methylbut-2-enoate
6-{2-[(1r,2s,6s)-1,2,6-trimethyl-3-oxocyclohexyl]ethyl}naphthalene-1,4-dione
(1ar,2s,4ar,5s,6s,7as)-6-hydroxy-7a-(3-hydroxyprop-1-en-2-yl)-3,3,5-trimethyl-7-oxo-tetrahydro-2h-indeno[4,3a-b]oxiren-2-yl acetate
4,11,13-trihydroxy-11-(hydroxymethyl)-3-methyl-6-(prop-1-en-2-yl)-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
3-hydroxy-2,4-dimethyl-5-oxo-6-(3,5,6-trimethyl-4-oxopyran-2-yl)heptanoic acid
(3s)-6,8-dihydroxy-3-[(6r)-6-hydroxyheptyl]-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid
6-(2-{1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl}ethyl)naphthalene-1,4-dione
6,9-dihydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(1r)-8-hydroxy-1,5,15-trimethyl-4,7,12-trioxapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadecan-14-yl acetate
(2s,3r)-2-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran
6,8-dihydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-4-yl acetate
6-{2-[(1r,2s,4s)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl}naphthalene-1,4-dione
5,7-dimethoxy-1-(3-methylbut-2-en-1-yl)-9,10-dihydrophenanthren-2-ol
7-hydroperoxy-3,10-dimethyl-6-methylidene-2-oxo-3h,3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-5-yl acetate
(1s,4r,6r,8s,9z,11r,14r)-9-(hydroxymethyl)-4,14-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-8-yl acetate
methyl 14-oxa-8,17-diazahexacyclo[10.7.1.0¹,⁹.0²,⁷.0¹³,¹⁵.0¹⁷,²⁰]icosa-2,4,6,9-tetraene-10-carboxylate
(1s,4r,6r,8s,11r,14r)-9-(hydroxymethyl)-4,14-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-8-yl acetate
6-{2-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]ethyl}naphthalene-1,4-dione
8,9-dihydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,7h,8h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
1-(3,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)-3-methoxyhexane-1,4,5-triol
1-[(1's,2'r,3r,7'r,9's)-2-hydroxy-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-6'-yl]ethanone
5,8-dihydroxy-5,8-dimethyl-3-methylidene-2-oxo-octahydroazuleno[6,5-b]furan-7-yl acetate
(3ar,4r,4as,5r,7r,7ar,8r,9as)-5,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
ethyl 2-[7-hydroxy-5-(hydroxymethyl)-1,5-dimethyl-9-oxo-10-oxatricyclo[4.4.0.0²,⁴]decan-8-ylidene]propanoate
5,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
(1r,5r,5as,9as,9bs)-1,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl acetate
4-hydroxy-9,18,18-trimethyl-8-oxapentacyclo[10.5.1.0¹,¹³.0²,⁷.0⁹,¹³]octadeca-2,4,6,16-tetraene-16-carbaldehyde
(1s,9s,12s,13s)-4-hydroxy-9,18,18-trimethyl-8-oxapentacyclo[10.5.1.0¹,¹³.0²,⁷.0⁹,¹³]octadeca-2,4,6,16-tetraene-16-carbaldehyde
6-{2-[(1r,2r,4s)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl}naphthalene-1,4-dione
(3ar,4s,5ar,6r,9r,9as,9bs)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl acetate
(1r,5s,6s)-5-(acetyloxy)-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl (2e)-2-methylbut-2-enoate
(3as,6s,6ar,9s,9as,9br)-6a-hydroxy-9a-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-octahydroazuleno[4,5-b]furan-9-yl acetate
4-[(1e)-2-[3,5-dimethoxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl]phenol
(2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid
{"Ingredient_id": "HBIN006774","Ingredient_name": "(2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid","Alias": "NA","Ingredient_formula": "C16H24N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1050","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
