Exact Mass: 354.1961606
Exact Mass Matches: 354.1961606
Found 500 metabolites which its exact mass value is equals to given mass value 354.1961606,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vincamine
C21H26N2O3 (354.19433260000005)
Vincamine is a vinca alkaloid, an alkaloid ester, an organic heteropentacyclic compound, a methyl ester and a hemiaminal. It has a role as an antihypertensive agent, a vasodilator agent and a metabolite. It is functionally related to an eburnamenine. Vincamine is a monoterpenoid indole alkaloid obtained from the leaves of *Vinca minor* with a vasodilatory property. Studies indicate that vincamine increases the regional cerebral blood flow. Vincamine is a natural product found in Vinca difformis, Vinca major, and other organisms with data available. A major alkaloid of Vinca minor L., Apocynaceae. It has been used therapeutically as a vasodilator and antihypertensive agent, particularly in cerebrovascular disorders. Vincamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1617-90-9 (retrieved 2024-07-01) (CAS RN: 1617-90-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Vincamine?is a monoterpenoid indole alkaloid extracted from the?Madagascar periwinkle. Vincamine?is a peripheral?vasodilator?and exerts a selective vasoregulator action on the brain microcapilar circulation[1]. Vincamine?is a?GPR40?agonist and acts as a β-cell protector by ameliorating β-cell dysfunction and promoting glucose-stimulated insulin secretion (GSIS).?Vincamine?improves glucose homeostasis?in vivo, and has the potential for the type 2 diabetes mellitus (T2DM) research[2]. Vincamine?is a monoterpenoid indole alkaloid extracted from the?Madagascar periwinkle. Vincamine?is a peripheral?vasodilator?and exerts a selective vasoregulator action on the brain microcapilar circulation[1]. Vincamine?is a?GPR40?agonist and acts as a β-cell protector by ameliorating β-cell dysfunction and promoting glucose-stimulated insulin secretion (GSIS).?Vincamine?improves glucose homeostasis?in vivo, and has the potential for the type 2 diabetes mellitus (T2DM) research[2].
Yohimbine
C21H26N2O3 (354.19433260000005)
Yohimbine is an indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina. It has a role as an alpha-adrenergic antagonist, a serotonergic antagonist and a dopamine receptor D2 antagonist. It is functionally related to a yohimbic acid. A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of impotence. It is also alleged to be an aphrodisiac. Yohimbine is an indole alkaloid derived from the bark of the Central African yohimbe tree (Pausinystalia yohimbe) that is widely used as therapy for erectile dysfunction. Yohimbine use has been associated with occasional severe adverse events, but has not been linked to serum enzyme elevations or clinically apparent acute liver injury. Yohimbine is a natural product found in Rauvolfia yunnanensis, Tabernaemontana corymbosa, and other organisms with data available. A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION. See also: Yohimbine Hydrochloride (active moiety of) ... View More ... Yohimbine is only found in individuals that have used or taken this drug. It is a plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of impotence. It is also alleged to be an aphrodisiac. [PubChem]Yohimbine is a pre-synaptic alpha 2-adrenergic blocking agent. The exact mechanism for its use in impotence has not been fully elucidated. However, yohimbine may exert its beneficial effect on erectile ability through blockade of central alpha 2-adrenergic receptors producing an increase in sympathetic drive secondary to an increase in norepinephrine release and in firing rate of cells in the brain noradrenergic nuclei. Yohimbine-mediated norepinephrine release at the level of the corporeal tissues may also be involved. In addition, beneficial effects may involve other neurotransmitters such as dopamine and serotonin and cholinergic receptors. G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina. C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D000089162 - Genitourinary Agents > D064804 - Urological Agents D001697 - Biomedical and Dental Materials > D003764 - Dental Materials Yohimbine is a potent and relatively nonselective alpha 2-adrenergic receptor (AR) antagonist, with IC50 of 0.6 μM. IC50 value: 0.6 uM [1] Target: alpha 2-adrenergic receptor in vitro: Yohimbine inhibits alpha2-receptor antagonist with Ki of 1.05 nM, 1.19 nM, and 1.19 nM for α2A, α2B, α2C, respectively. Yohimbine also inhibits 5-HT1B with Ki of 19.9 nM. Yohimbine acts to block the lowering of cAMP by alpha-2 adrenoceptor agonists. yohimbine actually causes a pronounced lowering of tyrosinase activity. [3] in vivo: Yohimbine is an antagonist at alpha2-noradrenaline receptors with putative panicogenic effects in human subjects, was administered to Swiss-Webster mice at doses of 0.5, 1.0, and 2.0 mg/kg. Yohimbine potentiates active defensive responses to threatening stimuli in Swiss-Webster mice.[2] Yohimbine is a potent and relatively nonselective alpha 2-adrenergic receptor (AR) antagonist, with IC50 of 0.6 μM. IC50 value: 0.6 uM [1] Target: alpha 2-adrenergic receptor in vitro: Yohimbine inhibits alpha2-receptor antagonist with Ki of 1.05 nM, 1.19 nM, and 1.19 nM for α2A, α2B, α2C, respectively. Yohimbine also inhibits 5-HT1B with Ki of 19.9 nM. Yohimbine acts to block the lowering of cAMP by alpha-2 adrenoceptor agonists. yohimbine actually causes a pronounced lowering of tyrosinase activity. [3] in vivo: Yohimbine is an antagonist at alpha2-noradrenaline receptors with putative panicogenic effects in human subjects, was administered to Swiss-Webster mice at doses of 0.5, 1.0, and 2.0 mg/kg. Yohimbine potentiates active defensive responses to threatening stimuli in Swiss-Webster mice.[2]
Prostaglandin E1
Prostaglandin E1 (PGE1) is a potent endogenous vasodilator agent that increases peripheral blood flow. It inhibits platelet aggregation and has many other biological effects such as bronchodilation, mediation of inflammation, and various protective functions. The protective action of PGE1 has been shown on both experimental animal models of liver injury and patients with fulminant viral hepatitis. PGE1-treated cirrhotic rats had less hepatosplenomegaly, lower serum alanine aminotransferase levels and portal pressures, and higher arterial pressure than placebo-treated cirrhotic rats. There are several mechanisms of PGE1 hepatic cytoprotection: inhibiting T-cell mediated cytotoxicity, enhancing DNA synthesis of the injured liver after partial hepatectomy by stimulating cyclic AMP production, increasing ATP level in hepatic tissue to accelerate the recovery of mitochondrial respiratory function after reperfusion, and stabilizing membrane microviscosity. PGE1 is a prostanoid. The term prostanoid collectively describes prostaglandins, prostacyclins, and thromboxanes. Prostanoids are a subclass of the lipid mediator group known as eicosanoids. They are derived from C-20 polyunsaturated fatty acids, mainly dihomo-γ-linolenic (20:3n-6), arachidonic (20:4n-6), and eicosapentaenoic (20:5n-3) acids, through the action of cyclooxygenases-1 and -2 (COX-1 and COX-2) (PMID: 11819590, 16986207). Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent and are able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis through receptor-mediated G-protein linked signalling pathways. Prostaglandin E1 (Alprostadil) is a prostanoid receptor ligand, with Kis of 1.1 nM, 2.1 nM, 10 nM, 33 nM and 36 nM for mouse EP3, EP4, EP2, IP and EP1, respectively. Prostaglandin E1 induces vasodilation and inhibits platelet aggregation. Prostaglandin E1 can be used as a vasodilator for the research of peripheral vascular diseases[1][2][3].
Prostaglandin F2alpha
Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins. It is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. It is used in medicine to induce labor and as an abortifacient. PGF2a binds to the Prostaglandin F2 receptor (PTGFR) which is a member of the G-protein coupled receptor family. PGF2-alpha mediates luteolysis. Luteolysis is the structural and functional degradation of the corpus luteum (CL) that occurs at the end of the luteal phase of both the estrous and menstrual cycles in the absence of pregnancy. PGF2 may also be involved in modulating intraocular pressure and smooth muscle contraction in the uterus and gastrointestinal tract sphincters. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787). Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins. It is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. It is used in medicine to induce labor and as an abortifacient. PGF2a binds to the Prostaglandin F2 receptor (PTGFR) which is a member of the G-protein coupled receptor family. PGF2-alpha mediates luteolysis. Luteolysis is the structural and functional degradation of the corpus luteum (CL) that occurs at the end of the luteal phase of both the estrous and menstrual cycles in the absence of pregnancy. PGF2 may also be involved in modulating intraocular pressure and smooth muscle contraction in the uterus and gastrointestinal tract sphincters. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787) G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AD - Prostaglandins Chemical was purchased from CAY16010 (Lot 171332-126); Diagnostic ions: 353.2, 309.2, 281.1, 253.0, 193.1 D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics C78568 - Prostaglandin Analogue KEIO_ID P066 Dinoprost (Prostaglandin F2α) is an orally active, potent prostaglandin F (PGF) receptor (FP receptor) agonist. Dinoprost is a luteolytic hormone produced locally in the endometrial luminal epithelium and corpus luteum (CL). Dinoprost plays a key role in the onset and progression of labour[1][2].
Prostaglandin D1
Prostaglandin D1 is a prostanoid that elicits contractile and relaxant on isolated human pial arteries with small potency. Prostanoids is a term that collectively describes prostaglandins, prostacyclines and thromboxanes. Prostanoids are a subclass of the lipid mediator group known as eicosanoids. They derive from C-20 polyunsaturated fatty acids, mainly dihomo-gamma-linoleic (20:3n-6), arachidonic (20:4n-6), and eicosapentaenoic (20:5n-3) acids, through the action of cyclooxygenases-1 and -2 (COX-1 and COX-2). The reaction product of COX is the unstable endoperoxide prostaglandin H (PGH) that is further transformed into the individual prostanoids by a series of specific prostanoid synthases. Prostanoids are local-acting mediators formed and inactivated within the same or neighbouring cells prior to their release into circulation as inactive metabolites (15-keto- and 13,14-dihydroketo metabolites). Non-enzymatic peroxidation of arachidonic acid and other fatty acids in vivo can result in prostaglandin-like substances isomeric to the COX-derived prostaglandins that are termed isoprostanes. Prostanoids take part in many physiological and pathophysiological processes in practically every organ, tissue and cell, including the vascular, renal, gastrointestinal and reproductive systems. Their activities are mediated through prostanoid-specific receptors and intracellular signalling pathways, whilst their biosynthesis and action are blocked by nonsteroidal antiinflammatory drugs (NSAID). Isoprostanes are considered to be reliable markers of oxidant stress status and have been linked to inflammation, ischaemia-reperfusion, diabetes, cardiovascular disease, reproductive disorders and diabetes. (PMID: 6091419, 16986207)Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Prostaglandin D1 is a prostanoid that elicits contractile and relaxant on isolated human pial arteries with small potency. Prostanoids is a term that collectively describes prostaglandins, prostacyclines and thromboxanes. Prostanoids are a subclass of the lipid mediator group known as eicosanoids. They derive from C-20 polyunsaturated fatty acids, mainly dihomo-gamma-linoleic (20:3n-6), arachidonic (20:4n-6), and eicosapentaenoic (20:5n-3) acids, through the action of cyclooxygenases-1 and -2 (COX-1 and COX-2). The reaction product of COX is the unstable endoperoxide prostaglandin H (PGH) that is further transformed into the individual prostanoids by a series of specific prostanoid synthases. Prostanoids are local-acting mediators formed and inactivated within the same or neighbouring cells prior to their release into circulation as inactive metabolites (15-keto- and 13,14-dihydroketo metabolites). Non-enzymatic peroxidation of arachidonic acid and other fatty acids in vivo can result in prostaglandin-like substances isomeric to the COX-derived prostaglandins that are termed isoprostanes. Prostanoids take part in many physiological and pathophysiological processes in practically every organ, tissue and cell, including the vascular, renal, gastrointestinal and reproductive systems. Their activities are mediated through prostanoid-specific receptors and intracellular signalling pathways, whilst their biosynthesis and action are blocked by nonsteroidal antiinflammatory drugs (NSAID). Isoprostanes are considered to be reliable markers of oxidant stress status and have been linked to inflammation, ischaemia-reperfusion, diabetes, cardiovascular disease, reproductive disorders and diabetes. (PMID: 6091419, 16986207)
Tephrowatsin A
A hydroxyflavan that is (2S)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively.
(-)-Aspidospermine
(-)-Aspidospermine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
Sultopride
C17H26N2O4S (354.16131960000007)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Same as: D08549
17-O-acetylnorajmaline
C21H26N2O3 (354.19433260000005)
An indole alkaloid obtained by formal acetylation of the 17-hydroxy group of norajmaline.
11,12,15-THETA
11,12,15-trihydroxyeicosatrienoic acid (11,12,15-THETA) is a metabolite of the 15-lipoxygenase (15-LO) pathway of arachidonic acid (AA). 11,12,15-THETA is an endothelium-derived relaxing factor. Acetylcholine stimulates AA release from membrane phospholipids of vascular endothelial cells (ECs). AA is released from phosphatidylcholine (PC) and phosphatidylethanolamine (PE) by phospholipase A2 (PLA2), or from phosphatidylinositol (PI) by phospholipase C (PLC) pathway. The diacylglycerol (DAG) lipase can convert DAG into 2-arachidonoylglycerol from which free AA can be released by monoacylglycerol (MAG) lipase or fatty acid amidohydrolase (FAAH). 11,12,15-THETA mediates the acetylcholine-induced vaso-relaxation, via activation of the K+ channels to hyperpolarize the smooth muscle membrane and induce relaxation. (PMID: 12907422, 16024567, 15388505, 14622984) [HMDB] 11,12,15-trihydroxyeicosatrienoic acid (11,12,15-THETA) is a metabolite of the 15-lipoxygenase (15-LO) pathway of arachidonic acid (AA). 11,12,15-THETA is an endothelium-derived relaxing factor. Acetylcholine stimulates AA release from membrane phospholipids of vascular endothelial cells (ECs). AA is released from phosphatidylcholine (PC) and phosphatidylethanolamine (PE) by phospholipase A2 (PLA2), or from phosphatidylinositol (PI) by phospholipase C (PLC) pathway. The diacylglycerol (DAG) lipase can convert DAG into 2-arachidonoylglycerol from which free AA can be released by monoacylglycerol (MAG) lipase or fatty acid amidohydrolase (FAAH). 11,12,15-THETA mediates the acetylcholine-induced vaso-relaxation, via activation of the K+ channels to hyperpolarize the smooth muscle membrane and induce relaxation. (PMID: 12907422, 16024567, 15388505, 14622984).
Troxilin B3
Troxilin B3 is the enzymatically formed derivative of Hepoxilin B3. Normal human epidermis incubated with exogenous AA produces 12-oxo-eicosatetraenoic acid (12-oxo-ETE), hepoxilin A3 (HxA3), and hepoxilin B3 (HxB3) through the 12- Lipoxygenase (LO) pathway. 12-LO is the major arachidonic acid (AA) oxygenation pathway in epidermal cells with total product formation generally exceeding cyclooxygenase activity. Platelet-type 12-LO has been found to be the predominant isoenzyme expressed in human and murine skin epidermis. Increased levels of nonesterified hepoxilins and trioxilins occur in the psoriatic scales. Normal human epidermis synthesized only one of the two possible 10-hydroxy epimers of HxB3 whose formation is probably catalyzed by 12-LO. Hepoxilins exert action on plasma permeability on skin, and induce a specific-receptor-dependent Ca2+ mobilization from endogenous sources and the release of AA and diacylglycerols. (PMID: 11851887) [HMDB] Troxilin B3 is the enzymatically formed derivative of Hepoxilin B3. Normal human epidermis incubated with exogenous AA produces 12-oxo-eicosatetraenoic acid (12-oxo-ETE), hepoxilin A3 (HxA3), and hepoxilin B3 (HxB3) through the 12- Lipoxygenase (LO) pathway. 12-LO is the major arachidonic acid (AA) oxygenation pathway in epidermal cells with total product formation generally exceeding cyclooxygenase activity. Platelet-type 12-LO has been found to be the predominant isoenzyme expressed in human and murine skin epidermis. Increased levels of nonesterified hepoxilins and trioxilins occur in the psoriatic scales. Normal human epidermis synthesized only one of the two possible 10-hydroxy epimers of HxB3 whose formation is probably catalyzed by 12-LO. Hepoxilins exert action on plasma permeability on skin, and induce a specific-receptor-dependent Ca2+ mobilization from endogenous sources and the release of AA and diacylglycerols. (PMID: 11851887).
11,14,15-THETA
11,14,15-trihydroxyeicosatrienoic acid (11,14,15-THETA) is a metabolite of the 15-lipoxygenase (15-LO) pathway of arachidonic acid (AA). Increased amounts of 11,14,15-THETA are synthesized in subacute hypoxia. Prolonged exposure to reduced PO2 activates 15-LO in small pulmonary arteries (PA); activation of 15-LO is associated with translocation of the enzyme from the cytosol to membrane. 11,14,15-THETA is an endothelium-derived relaxing factor. (PMID: 12690037, 9812980, 15388505, 14622984) [HMDB] 11,14,15-trihydroxyeicosatrienoic acid (11,14,15-THETA) is a metabolite of the 15-lipoxygenase (15-LO) pathway of arachidonic acid (AA). Increased amounts of 11,14,15-THETA are synthesized in subacute hypoxia. Prolonged exposure to reduced PO2 activates 15-LO in small pulmonary arteries (PA); activation of 15-LO is associated with translocation of the enzyme from the cytosol to membrane. 11,14,15-THETA is an endothelium-derived relaxing factor. (PMID: 12690037, 9812980, 15388505, 14622984).
3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
N-demethylvindolidine
C21H26N2O3 (354.19433260000005)
Prostaglandin F2b
Prostaglandin F2b is a naturally occurring isoprostane. Isoprostanes are arachidonic acid metabolites produced by peroxidative attack of membrane lipids. These accumulate to substantial levels in many clinical conditions characterized in part by accumulation of free radicals and reactive oxygen species, including asthma, hypertension and ischemia-reperfusion injury. For this reason, they are frequently used as markers of oxidative stress; however, many are now finding that these molecules are not inert, but in fact evoke powerful biological responses in an increasing array of cell types. In many cases, these biological effects can account in part for the various features and manifestations of those clinical conditions. Thus, it may be possible that the isoprostanes are playing somewhat of a causal role in those disease states. Lipid-peroxidation forms primary- or secondary-end products like conjugated dienes, lipid hydroperoxides, gaseous alkanes, and prostaglandin F2-like products. They are created as major products by free-radical catalyzed peroxidation of esterified arachidonic acid (AA) in membrane phospholipids. They are also minor products of the activity of platelet cyclooxygenase-1 (COX-1) in response to stimuli such as collagen, thrombin, or arachidonate. The levels of Prostaglandin F2b and F2-isoprostanes in CSF and urine are elevated in Alzheimers disease (AD) patients when compared to that of age-matched controls. (PMID: 15275956, 14504139)Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Prostaglandin F2b is a naturally occurring isoprostane. Isoprostanes are arachidonic acid metabolites produced by peroxidative attack of membrane lipids. These accumulate to substantial levels in many clinical conditions characterized in part by accumulation of free radicals and reactive oxygen species, including asthma, hypertension and ischemia-reperfusion injury. For this reason, they are frequently used as markers of oxidative stress; however, many are now finding that these molecules are not inert, but in fact evoke powerful biological responses in an increasing array of cell types. In many cases, these biological effects can account in part for the various features and manifestations of those clinical conditions. Thus, it may be possible that the isoprostanes are playing somewhat of a causal role in those disease states.
Trioxilin A3
Trioxilin A3 is the enzymatically formed derivative of Hepoxilin A3. Normal human epidermis incubated with exogenous AA produces 12-oxo-eicosatetraenoic acid (12-oxo-ETE), hepoxilin A3 (HxA3), and hepoxilin B3 (HxB3) through the 12- Lipoxygenase (LO) pathway. 12-LO is the major arachidonic acid (AA) oxygenation pathway in epidermal cells with total product formation generally exceeding cyclooxygenase activity. Platelet-type 12-LO has been found to be the predominant isoenzyme expressed in human and murine skin epidermis. Increased levels of nonesterified hepoxilins and trioxilins occur in the psoriatic scales. Normal human epidermis synthesized only one of the two possible 10-hydroxy epimers of HxB3 whose formation is probably catalyzed by 12-LO. Hepoxilins exert action on plasma permeability on skin, and induce a specific-receptor-dependent Ca2+ mobilization from endogenous sources and the release of AA and diacylglycerols. (PMID: 11851887) [HMDB] Trioxilin A3 is the enzymatically formed derivative of Hepoxilin A3. Normal human epidermis incubated with exogenous AA produces 12-oxo-eicosatetraenoic acid (12-oxo-ETE), hepoxilin A3 (HxA3), and hepoxilin B3 (HxB3) through the 12- Lipoxygenase (LO) pathway. 12-LO is the major arachidonic acid (AA) oxygenation pathway in epidermal cells with total product formation generally exceeding cyclooxygenase activity. Platelet-type 12-LO has been found to be the predominant isoenzyme expressed in human and murine skin epidermis. Increased levels of nonesterified hepoxilins and trioxilins occur in the psoriatic scales. Normal human epidermis synthesized only one of the two possible 10-hydroxy epimers of HxB3 whose formation is probably catalyzed by 12-LO. Hepoxilins exert action on plasma permeability on skin, and induce a specific-receptor-dependent Ca2+ mobilization from endogenous sources and the release of AA and diacylglycerols. (PMID: 11851887).
8-Isoprostaglandin F2a
8-Isoprostaglandin F2a is an isoprostane and a potent renal vasoconstrictor. Isoprostanes are prostaglandin-like compounds that are produced in vivo in humans by a noncyclooxygenase mechanism involving free radical-catalyzed peroxidation of arachidonic acid. The formation of these prostanoids proceeds through bicyclic endoperoxide intermediates that are then reduced to form ring isoprostanes. Of considerable interest is that, in contradistinction to cyclooxygenase-derived prostaglandins, isoprostanes have been shown to be initially formed in situ, esterified to phospholipids, and subsequently released preformed, presumably by phospholipases. The fact that prostanoids are produced in vivo by a noncyclooxygenase mechanism is of considerable interest from a biochemical perspective. However, this may also be associated with biological ramifications since it has been shown that these compounds are capable of exerting potent biological activity. (PMID: 7825845, 17012140). Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 8-iso-prostaglandin F2A is a biomarker for the consumption of offal meat. 8-Isoprostaglandin F2a is an isoprostane and a potent renal vasoconstrictor. Isoprostanes are prostaglandin-like compounds that are produced in vivo in humans by a noncyclooxygenase mechanism involving free radical-catalyzed peroxidation of arachidonic acid. The formation of these prostanoids proceeds through bicyclic endoperoxide intermediates that are then reduced to form ring isoprostanes. Of considerable interest is that, in contradistinction to cyclooxygenase-derived prostaglandins, isoprostanes have been shown to be initially formed in situ, esterified to phospholipids, and subsequently released preformed, presumably by phospholipases. The fact that prostanoids are produced in vivo by a noncyclooxygenase mechanism is of considerable interest from a biochemical perspective. However, this may also be associated with biological ramifications since it has been shown that these compounds are capable of exerting potent biological activity. (PMID: 7825845, 17012140). 8-iso-prostaglandin F2A is a biomarker for the consumption of offal meat. D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
11b-PGF2a
11b-PGF2a is an intermediate metabolite in the arachadonic acid metabolic pathway. 11b-PGF2 is irreversibly produced from prostaglandin D2 via the enzyme prostaglandin-F synthase [EC:1.1.1.188].(KEGG)Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics
Corynanthin
C21H26N2O3 (354.19433260000005)
Methyl 17-hydroxy-20xi-yohimban-16-carboxylate is a yohimban alkaloid, a methyl ester and an organic heteropentacyclic compound. Methyl 17-hydroxy-20xi-yohimban-16-carboxylate is a natural product found in Aspidosperma oblongum, Aspidosperma ramiflorum, and other organisms with data available. D001697 - Biomedical and Dental Materials > D003764 - Dental Materials
Valganciclovir
Valganciclovir hydrochloride (Valcyte, manufactured by Roche) is an antiviral medication used to treat cytomegalovirus infections. As the L-valyl ester of ganciclovir, it is actually a prodrug for ganciclovir. After oral administration, it is rapidly converted to ganciclovir by intestinal and hepatic esterases. 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
Isopropyl apiosylglucoside
Isopropyl apiosylglucoside is found in root vegetables. Isopropyl apiosylglucoside is a constituent of the roots of cassava (Manihot esculenta). Constituent of the roots of cassava (Manihot esculenta). Isopropyl apiosylglucoside is found in root vegetables.
Acetylsalvipisone
Acetylsalvipisone is found in alcoholic beverages. Acetylsalvipisone is a constituent of Salvia sclarea (clary sage)
Sterebin G
Sterebin H is from Stevia rebaudiana (stevia). Constituent of Stevia rebaudiana (stevia)
Prostaglandin H1
Prostaglandin H1 (PGH1) is the precursor to all 1-series thromboxanes, and is a suicide inhibitor of platelet thromboxane synthase, possessing a Ki of 28 mM.2 PGH1 also acts on the aryl hydrocarbon receptor (AhR) by stimulating AhR transformation and DNA binding in vitro. It also induces AhR-dependent reporter gene expression in mouse hepatoma cells in culture.3. Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Prostaglandin H1 (PGH1) is the precursor to all 1-series thromboxanes, and is a suicide inhibitor of platelet thromboxane synthase, possessing a Ki of 28 mM.2 PGH1 also acts on the aryl hydrocarbon receptor (AhR) by stimulating AhR transformation and DNA binding in vitro. It also induces AhR-dependent reporter gene expression in mouse hepatoma cells in culture.3
13,14-Dihydro-15-keto PGF2a
13,14-dihydro-15-keto PGF2a E1 is an isoprostane. The isoprostanes embody a vast family of novel prostaglandin-like lipids that are produced by nonenzymatic peroxidation of arachidonic acid (AA) in response to free radicals and reactive oxygen species. Although free AA is required for the formation of prostaglandins by cyclooxygenases, the isoprostanes can be generated nonenzymatically from esterified AA in membrane phospholipids before being released by a phospholipase(s). Another dissimilarity is that isoprostanes feature side chains that are almost exclusively orientated cis relative to the cyclopentane ring and are therefore distinct from the prostaglandins, which always have side chains in the trans configuration. Nevertheless, isoprostanes are isomeric with prostaglandins and have been given the prefix D-, E-, and F{alpha}- to denote the prostane ring shared with PGD2, PGE2, and PGF2{alpha} respectively. An additional level of complexity is that peroxidation of AA can occur at one of any of four carbon atoms producing regioisomers, the so-called 5-, 12-, 8-, and 15-series isoprostanes, each consisting of eight racemic diastereomers. Thus, a total of 64 isomers can be generated for each of the D-, E-, and F{alpha}-ring isoprostanes. (PMID: 15528403). Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways.
Propofol glucuronide
Propofol glucuronide is a metabolite of propofol. Propofol is a short-acting, intravenously administered hypnotic agent. Its uses include the induction and maintenance of general anesthesia, sedation for mechanically ventilated adults, and procedural sedation. Propofol is also commonly used in veterinary medicine. Propofol is approved for use in more than 50 countries, and generic versions are available. (Wikipedia)
1-dodecanoyl-glycero-3-phosphate
1-dodecanoyl-glycero-3-phosphate is also known as LPA(12:0/0:0) or (2R)-2-Hydroxy-3-(phosphonooxy)propyl laurate. 1-dodecanoyl-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-dodecanoyl-glycero-3-phosphate is a glycerophosphate lipid molecule
LysoPA(i-12:0/0:0)
LysoPA(i-12:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(i-12:0/0:0), in particular, consists of one chain of isododecanoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
3-(4-(2-Dimethylamino-1-methylethoxy)phenyl)-1H-pyrazolo(3,4-b)pyridine-1-acetic acid
2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
Pyroglutamyl-glutamyl-proline amide
Barucainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
Cellobioside
(4R,6S)-6-[(E)-2-[2-(4-Fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
C22H23FO3 (354.16311399999995)
Corynanthine
C21H26N2O3 (354.19433260000005)
Ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-hydroxypent-4-yn-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
Hydroxybenzylpindolol
C21H26N2O3 (354.19433260000005)
Isovincamine
C21H26N2O3 (354.19433260000005)
Levonorgestrel acetate
Melengestrol
Bronica
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents R - Respiratory system > R03 - Drugs for obstructive airway diseases D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Seratrodast (AA 2414), an orally active antiasthmatic agent, is a thromboxane A2 receptor (TP) antagonist and ferroptosis inhibitor. Seratrodast reduces lipid ROS production, modulates the systemic xc-/GSH/GPX4 axis, and inhibits JNK phosphorylation and p53 expression. Seratrodast exhibits anti-asthmatic and anti-epileptic activity[1][2][3].
Valganciclovir, (S)-
7-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-7-phenylhept-6-enoic acid
17-O-acetylnorajmaline
C21H26N2O3 (354.19433260000005)
17-o-acetylnorajmaline is a member of the class of compounds known as ajmaline-sarpagine alkaloids. Ajmaline-sarpagine alkaloids are organic compounds containing either of the ajmalan, sarpagan skeleton, or derivative thereof. The Sarpagine (Akuammidine) group, based on the sarpagan nucleus, arises from bond formation between C-16 and C-5 of the corynantheine precursor. Ajmaline alkaloids are based on a 17,19-secoyohimban skeleton (oxayohimban) which is invariably present as an ether. 17-o-acetylnorajmaline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 17-o-acetylnorajmaline can be found in a number of food items such as black chokeberry, sapodilla, common pea, and cardamom, which makes 17-o-acetylnorajmaline a potential biomarker for the consumption of these food products.
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-1-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.0^{4,9]dodecane-2,3-indole]-2-one
C21H26N2O3 (354.19433260000005)
Dregamine
C21H26N2O3 (354.19433260000005)
A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several species of Tabernaemontana.
11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,11-dodecatriene-1,5,10-triol 1-acetate
Sitsirikine
C21H26N2O3 (354.19433260000005)
methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate is a natural product found in Alstonia angustifolia, Rauvolfia caffra, and Strychnos pungens with data available.
10-Hydroxycoronaridine
C21H26N2O3 (354.19433260000005)
An organic heteropentacyclic compound that is coronaridine in which the hydrogen of the indole moiety that is para- to the indole nitrogen has been replaced by a hydroxy group.
URB937
URB937 is an orally active and peripherally restricted FAAH inhibitor (IC50=26.8 nM) and increases anandamide levels. URB937 fails to affect FAAH activity in the brain (not penetrate the blood-brain barrier)[1].
(2E)-3-(4-Acetoxy-2,3-dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl)acrylic acid
Propanamide, N-(3-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-
pipenzolate
C22H28NO3+ (354.20690780000007)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds
3beta-acetoxyl-8beta,10beta-dihydroxy-6beta-methoxyeremophilenolide
18-acetoxypregna-1,4,20-trien-3-one|18-acetyl-18-hydroxymethyl-1,4,20-pregnatrien-3-one
10-methoxy-2,7-dihydropleiocarpamine
C21H26N2O3 (354.19433260000005)
(+/-)-N-formyltortuosamine|N-Formyl-(??)-(??)-Tortuosamine|N-Formyltortuosamin|N-formyltortuosamine|N-{2-[6-(3,4-dimethoxy-phenyl)-5,6,7,8-tetrahydro-quinolin-6-yl]-ethyl}-N-methyl-formamide
C21H26N2O3 (354.19433260000005)
(+/-)-19-hydroxycoronaridine|(-)-19S-heynanine
C21H26N2O3 (354.19433260000005)
6beta-acetoxy-7beta-hydroxy-1beta-methoxy-1alpha,8alpha-oxido-10beta,11betaH-eremophilan-12,8-olide
16-hydroxymethyl-4,5-seco-condyfol-14(19)-ene-16-carboxylic acid methyl ester|Precondylocarpin
C21H26N2O3 (354.19433260000005)
1-O-alpha-L-arabinofuranosyl-(1->6)-beta-D-galactopyranosyl isopropyl alcohol|pungen B
Corynanthine
C21H26N2O3 (354.19433260000005)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D000089162 - Genitourinary Agents > D064804 - Urological Agents Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.574 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.571 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.566 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.567
15-O-acetyl-1,4,20-pregnatrien-3-one|15beta-acetoxypregna-1,4,20-trien-3-one
(+)-Vincaminoreine|1-methyl-2,12-didehydro-12,19-seco-aspidospermidine-3-carboxylic acid methyl ester|ent-1-Methyl-2,12-didehydro-12,19-seco-aspidospermidin-3beta-carbonsaeure-methylester|ent-1-methyl-2,12-didehydro-12,19-seco-aspidospermidine-3beta-carboxylic acid methyl ester|Vincaminorein|Vincaminorin|Vincaminorine
3alpha-propionyloxy-5beta-(4-hydroxytigloyloxy)-7-hydroxycarvotacetone|3alpha-propionyloxy-5beta-<4-hydroxytigloyloxy>-7-hydroxycarvotacetone
3-(alpha-Hydroxy-benzyl)-6-(alpha-methoxy-benzyl)-1-methyl-piperazin-2,5-dion|3-(alpha-hydroxy-benzyl)-6-(alpha-methoxy-benzyl)-1-methyl-piperazine-2,5-dione
4-O-beta-D-Glucopyranoside-4-Hydroxy-3-(3-methyl-2-butenyl)benzenemethanol
Ibogamine-18-carboxylicacid, 13-hydroxy-, methyl ester (9CI)
C21H26N2O3 (354.19433260000005)
tabernaemontanine
C21H26N2O3 (354.19433260000005)
A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several species of Tabernaemontana.
1-O-beta-Glucopyranoside-2-Methyl-6-(3-methyl-2-butenyl)-1,4-benzenediol,9CI
17-hydroxy-19,20-dihydro-sarpagane-16-carboxylic acid methyl ester|19, 20-Dihydropolyneuridine|Dihydroakuammidin
C21H26N2O3 (354.19433260000005)
(ent-5alpha,15()-16-Chloro-3,15-dihydroxy-3-erythroxylen-2-one
(1beta,5alpha,7beta,8beta)-8-(acetyloxy)-5-hydroperoxy-1-hydroxycostic acid methyl ester|methyl rel-(2R,3R,4aS,5R,8aR)-3-(acetyloxy)decahydro-8a-hydroperoxy-5-hydroxy-4a-methyl-a,8-bis(methylene)naphthalene-2-acetate
(15S)-hydroxy-14,15-dihydrovindolinine
C21H26N2O3 (354.19433260000005)
(17alpha)-17-hydroxykopsinine|(2alpha,3beta,4alpha,5alpha,12R,19alpha)-4-hydroxy-2,21-cycloaspidospermidine-3-carboxylic acid|17alpha-hydroxykopsinine|kopsiloscine G
C21H26N2O3 (354.19433260000005)
19-acetoxyl derivative of pregna-1,20-dien-3-one|sclerosteroid C
3,5-Ethano-3H-pyrrolo[2,3-d]carbazole-6-carboxylic acid, 4-ethyl-1,2,3a,4,5,7-hexahydro-11-methoxy-, methyl ester, stereoisomer
C21H26N2O3 (354.19433260000005)
1-methyl-3-(2-hydroxypropan-2-yl)-2-(5-methoxy-9H-beta-carbolin-1-yl)cyclopentanol
C21H26N2O3 (354.19433260000005)
17-hydroxy-14,15-dihydrotabersonine
C21H26N2O3 (354.19433260000005)
Isobutyric acid 2-methoxy-4-[3-(isobutyryloxy)-1,2-dihydroxypropyl]phenyl ester
11,12-dimethoxy-14,15-dihydro-eburnamenin-14-one|Dimethoxy-eburnamonin|Dimethoxyeburnamonine
C21H26N2O3 (354.19433260000005)
3,10-dihydroxy-5,8-diacetoxy-1(2),11(12)-dehydrofarnesol
(+-)-Vincamin|14-hydroxy-14,15-dihydro-eburnamenine-14-carboxylic acid methyl ester|Vinkamin
C21H26N2O3 (354.19433260000005)
Methyl 20-hydroxy-19-oxo-2,16-didehydrocuran-17-oate #
flabelliformine|methyl (3E,4S)-3-ethylidene-4-{1-[3-(methoxymethyl)-1H-indol-2-yl]ethenyl}piperidine-1-carboxylate
C21H26N2O3 (354.19433260000005)
4alpha,10beta-dihydroxy-3alpha-methoxy-8alpha-acetoxy-11betaH-guai-1-en-12,6alpha-olide
4-hydroxy-2-(hydroxymethyl)-5-[(3Z)-1,5,6-trihydroxy-1,5,6,7-tetramethyl-3,7-octadienyl]-2-cyclohexen-1-one|antheminone B
ent-5alpha,16-chloro-2-oxodolabr-3-ene-3,15xi-diol
20-Epiervatamin|4-ethyl-2-methyl-6-oxo-2,3,4,4a,5,6,7,12-octahydro-1H-pyrido[3,4:4,5]cyclohepta[1,2-b]indole-12a-carboxylic acid methyl ester
C21H26N2O3 (354.19433260000005)
(19S)-1-acetyl-17,19-epoxy-curan-3-ol|Acetylisostrychnosplendine|N(a)-Acetyl-isostrychnosplendin|N-acetyl-isostrychnosplendine
C21H26N2O3 (354.19433260000005)
12-hydroxy-21,22-dihydro-12,24-seco-strychnidin-10-one|Protostrychnin|Protostrychnine
C21H26N2O3 (354.19433260000005)
Aspidoalbidine, 1-formyl-17-methoxy-
C21H26N2O3 (354.19433260000005)
Roscovitine (CYC202)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
2,3-Dimethoxy-7-methyl-9,10-methylenedioxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizine-7-ium
C21H24NO4+ (354.17052440000003)
Rauwolscine
C21H26N2O3 (354.19433260000005)
Rauwolscine is a methyl 17-hydroxy-20xi-yohimban-16-carboxylate. Rauwolscine is a natural product found in Alstonia constricta, Corynanthe johimbe, and other organisms with data available. A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION. D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D000089162 - Genitourinary Agents > D064804 - Urological Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.457 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.455 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.451 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.448 Rauwolscine is a selective α2-adrenoceptor antagonist that inhibits tumor growth and induces apoptosis[1].
Alloyohimbin
C21H26N2O3 (354.19433260000005)
Allo-yohimbine is a methyl 17-hydroxy-20xi-yohimban-16-carboxylate. allo-Yohimbine is a natural product found in Corynanthe johimbe, Alstonia yunnanensis, and other organisms with data available.
Humantenine
C21H26N2O3 (354.19433260000005)
Annotation level-1 Humantenine is a natural product found in Gelsemium elegans and Gelsemium rankinii with data available.
Valganciclovir
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 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2843
Yohimbine
C21H26N2O3 (354.19433260000005)
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D000089162 - Genitourinary Agents > D064804 - Urological Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2282 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.556 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.553 Yohimbine is a potent and relatively nonselective alpha 2-adrenergic receptor (AR) antagonist, with IC50 of 0.6 μM. IC50 value: 0.6 uM [1] Target: alpha 2-adrenergic receptor in vitro: Yohimbine inhibits alpha2-receptor antagonist with Ki of 1.05 nM, 1.19 nM, and 1.19 nM for α2A, α2B, α2C, respectively. Yohimbine also inhibits 5-HT1B with Ki of 19.9 nM. Yohimbine acts to block the lowering of cAMP by alpha-2 adrenoceptor agonists. yohimbine actually causes a pronounced lowering of tyrosinase activity. [3] in vivo: Yohimbine is an antagonist at alpha2-noradrenaline receptors with putative panicogenic effects in human subjects, was administered to Swiss-Webster mice at doses of 0.5, 1.0, and 2.0 mg/kg. Yohimbine potentiates active defensive responses to threatening stimuli in Swiss-Webster mice.[2] Yohimbine is a potent and relatively nonselective alpha 2-adrenergic receptor (AR) antagonist, with IC50 of 0.6 μM. IC50 value: 0.6 uM [1] Target: alpha 2-adrenergic receptor in vitro: Yohimbine inhibits alpha2-receptor antagonist with Ki of 1.05 nM, 1.19 nM, and 1.19 nM for α2A, α2B, α2C, respectively. Yohimbine also inhibits 5-HT1B with Ki of 19.9 nM. Yohimbine acts to block the lowering of cAMP by alpha-2 adrenoceptor agonists. yohimbine actually causes a pronounced lowering of tyrosinase activity. [3] in vivo: Yohimbine is an antagonist at alpha2-noradrenaline receptors with putative panicogenic effects in human subjects, was administered to Swiss-Webster mice at doses of 0.5, 1.0, and 2.0 mg/kg. Yohimbine potentiates active defensive responses to threatening stimuli in Swiss-Webster mice.[2]
methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
C21H26N2O3 (354.19433260000005)
methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
C21H26N2O3 (354.19433260000005)
C19H30O6_(2E)-3-(4-Acetoxy-2,3-dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl)acrylic acid
C14H26O10_Propyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
C21H26N2O3_Methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate
C21H26N2O3 (354.19433260000005)
(E)-3-(4-acetyloxy-2,3-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)prop-2-enoic acid
Alloyohimbine
C21H26N2O3 (354.19433260000005)
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Yohimbinoid alkaloids, Indole alkaloids
Sultopride
C17H26N2O4S (354.16131960000007)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Same as: D08549
(E)-2-(4,8-dimethylnona-3,7-dien-1-yl)-5-hydroxy-2,7-dimethyl-2H-chromene-8-carbaldehyde
Vincamin
C21H26N2O3 (354.19433260000005)
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2327 Vincamine?is a monoterpenoid indole alkaloid extracted from the?Madagascar periwinkle. Vincamine?is a peripheral?vasodilator?and exerts a selective vasoregulator action on the brain microcapilar circulation[1]. Vincamine?is a?GPR40?agonist and acts as a β-cell protector by ameliorating β-cell dysfunction and promoting glucose-stimulated insulin secretion (GSIS).?Vincamine?improves glucose homeostasis?in vivo, and has the potential for the type 2 diabetes mellitus (T2DM) research[2]. Vincamine?is a monoterpenoid indole alkaloid extracted from the?Madagascar periwinkle. Vincamine?is a peripheral?vasodilator?and exerts a selective vasoregulator action on the brain microcapilar circulation[1]. Vincamine?is a?GPR40?agonist and acts as a β-cell protector by ameliorating β-cell dysfunction and promoting glucose-stimulated insulin secretion (GSIS).?Vincamine?improves glucose homeostasis?in vivo, and has the potential for the type 2 diabetes mellitus (T2DM) research[2].
2,2,4-Trimethylpentane-1,3-diyl dibenzoate
CONFIDENCE standard compound; INTERNAL_ID 1387; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10463; ORIGINAL_PRECURSOR_SCAN_NO 10461 CONFIDENCE standard compound; INTERNAL_ID 1387; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10565; ORIGINAL_PRECURSOR_SCAN_NO 10560 CONFIDENCE standard compound; INTERNAL_ID 1387; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10586; ORIGINAL_PRECURSOR_SCAN_NO 10581
Ala Ala Gly His
Ala Ala His Gly
Ala Ala Pro Pro
C16H26N4O5 (354.19031060000003)
Ala Gly Ala His
Ala Gly His Ala
Ala His Ala Gly
Ala His Gly Ala
Ala Pro Ala Pro
C16H26N4O5 (354.19031060000003)
Ala Pro Pro Ala
C16H26N4O5 (354.19031060000003)
Gly Ala Ala His
Gly Ala His Ala
Gly His Ala Ala
His Ala Ala Gly
His Ala Gly Ala
His Gly Ala Ala
Pro Ala Ala Pro
C16H26N4O5 (354.19031060000003)
Pro Ala Pro Ala
C16H26N4O5 (354.19031060000003)
Pro Pro Ala Ala
C16H26N4O5 (354.19031060000003)
Etretinate
D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BB - Retinoids for treatment of psoriasis C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid
Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)
Rauhimbin
C21H26N2O3 (354.19433260000005)
Cymeval
Acetylsalvipisone
Isopropyl apiosylglucoside
Boronic Acid, [1-(Triphenylmethyl)-1H-Pyrazol-4-YL
(3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-6-carboxylic acid methyl ester
Melengestrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
1,5-DIPHENYL-4-ETHYL-3-(4-METHOXYPHENYL)-1H-PYRAZOLE
6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-2-fluoropyridine-3-carboxylic acid
C17H27FN2O3Si (354.17748839999996)
(2S,3S)-[2-(3-HYDROXYPYRROLIDIN-1-YL)-1-PHENYLETHYL]METHYLCARBAMICACIDBENZYLESTER
C21H26N2O3 (354.19433260000005)
METHYL (S)-(-)-3-(T-BUTYLDI-ME-SILYLOXY&
C19H34O4Si (354.22262440000003)
trimethyl-[1,3,4-tris(trimethylsilyl)cyclopenta-2,4-dien-1-yl]silane
2-(4-Tert-Butylphenyl)-5-(4-Biphenyl)-1,3,4-Oxadiazole
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators Nomifensine maleate is a selective inhibitor of dopamine uptake, used in adult attention deficit disorder.
N-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]pyridin-2-amine
N-(hydroxymethyl)prop-2-enamide,2-methylidenebutanoic acid,methyl 2-methylprop-2-enoate,prop-2-enenitrile
(Triphenylen-2-yl)boronic acid pinacol ester
C24H23BO2 (354.17910079999996)
1-BENZYL-4-(4-NITRO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-(diethylamino)ethyl 2-phenyl-2-piperidin-1-ylacetate,hydrochloride
(R)-METHYL 7-(3-((TERT-BUTYLDIMETHYLSILYL)OXY)-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOATE
C19H34O4Si (354.22262440000003)
Boc-5-Amino-6-chloropyridine-3-boronic acid pinacol ester
Hexamidine
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic D000890 - Anti-Infective Agents
1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYL-ALPHA-D-GLUCOFURANOSE
(2E,6E)-8-(1,4-DIMETHOXY-3-METHYLNAPHTHALEN-2-YL)-2,6-DIMETHYLOCTA-2,6-DIEN-1-OL
Ethyl 2-(hydroxy(4-Methoxy-3-(3-Methoxypropoxy)phenyl)Methyl)-3-Methylbutanoate
BENZYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YLCARBAMATE
N-(6-METHOXY-PYRIDIN-3-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
Piperazine-1-carboxamidine hemisulfate
C10H26N8O4S (354.17976360000006)
METHYL 7-(5-OXO-3-((TRIETHYLSILYL)OXY)CYCLOPENT-1-EN-1-YL)HEPTANOATE
C19H34O4Si (354.22262440000003)
TRIISOPROPYL((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)SILANE
C22H34Si2 (354.21989240000005)
N-Benzyl-2-nitro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
1-octyl-2,3-dimethylimidazolium hexafluorophosphate
4-(2-methoxybenzoyl)-3,5-bis(2-methylpropyl)benzaldehyde
1,3-DIPHENYL-4-ETHYL-5-(4-METHOXYPHENYL)-1H-PYRAZOLE
3,7-Dioxa-4,6-disilanonane, 4,4,6,6-tetraethoxy-5-methyl-
(1-(2-Morpholinoethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
methanesulfonate,tetrabutylphosphanium
C17H39O3PS (354.23573940000006)
Iclaprim
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EA - Trimethoprim and derivatives C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists C254 - Anti-Infective Agent > C258 - Antibiotic
4,4-bis-(2,3-Epoxypropoxy)-3,3,5,5-tetramethylbiphenyl
1-[(TRANS,TRANS)-4-ETHYL[1,1-BICYCLOHEXYL]-4-YL]-4-(TRIFLUOROMETHOXY)BENZENE
(2,3-DIHYDROINDOL-1-YL)-(4-FLUOROPHENYL)-METHANONE
1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid
Tilnoprofen arbamel
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
17-Ethinyl-17-hydroxy-18-methylestra-5(10),9(11)-dien-3-one-3-ethylene ketal
Piperazine-1-carboxamidine 0.5-sulfate
C10H26N8O4S (354.17976360000006)
Benzyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate
TERT-BUTYL 4-AMINOSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE HYDROCHLORIDE
C18H27ClN2O3 (354.17101019999996)
3-(4-tert-butylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
Eprozinol
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist R - Respiratory system > R03 - Drugs for obstructive airway diseases
[Glu2]-TRH
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(Glu2)-TRH, a metabolically stable analogue of
ETHYL 4-METHYL-2-(N-BOC-PIPERIDIN-4-YL)THIAZOL-5-YL CARBOXYLATE
C17H26N2O4S (354.16131960000007)
BENZYL (5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)CARBAMATE
Zicronapine
C22H27ClN2 (354.18626520000004)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
5-(9-Isopropyl-8-methyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor VS-5584 is a pan-PI3K/mTOR kinase inhibitor with IC50s of 16 nM, 68 nM, 42 nM, 25 nM, and 37 nM for PI3Kα, PI3Kβ, PI3Kδ, PI3Kγ and mTOR, respectively. VS-5584 simultaneously blocks mTORC2 as well as mTORC1. VS-5584 is a pan-PI3K/mTOR kinase inhibitor with IC50s of 16 nM, 68 nM, 42 nM, 25 nM, and 37 nM for PI3Kα, PI3Kβ, PI3Kδ, PI3Kγ and mTOR, respectively. VS-5584 simultaneously blocks mTORC2 as well as mTORC1.
Bevonium
C22H28NO3+ (354.20690780000007)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Benzilonium
C22H28NO3+ (354.20690780000007)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
vinca
C21H26N2O3 (354.19433260000005)
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
4-(2-((2-Hydroxy-3-(1H-indol-4-yloxy)propyl)amino)-2-methylpropyl)phenol
C21H26N2O3 (354.19433260000005)
1-[2-[[3-(2-Cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
3-(3,5-Dimethyl-1-pyrazolyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-1,2,4,5-tetrazine
4-(9H-fluoren-9-yl)-N-(4-pyridinylmethylene)-1-piperazinamine
N-(trans-4-Nitro-4-stilbenyl)-N-methyl-5-amino-pentanoic acid
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
7-Amino-2-Tert-Butyl-4-{[2-(1h-Imidazol-4-Yl)ethyl]amino}pyrido[2,3-D]pyrimidine-6-Carboxamide
(1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
C17H26N2O4S (354.16131960000007)
Seratrodast
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents R - Respiratory system > R03 - Drugs for obstructive airway diseases D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Seratrodast (AA 2414), an orally active antiasthmatic agent, is a thromboxane A2 receptor (TP) antagonist and ferroptosis inhibitor. Seratrodast reduces lipid ROS production, modulates the systemic xc-/GSH/GPX4 axis, and inhibits JNK phosphorylation and p53 expression. Seratrodast exhibits anti-asthmatic and anti-epileptic activity[1][2][3].
Corynine
C21H26N2O3 (354.19433260000005)
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D000089162 - Genitourinary Agents > D064804 - Urological Agents Yohimbine is a potent and relatively nonselective alpha 2-adrenergic receptor (AR) antagonist, with IC50 of 0.6 μM. IC50 value: 0.6 uM [1] Target: alpha 2-adrenergic receptor in vitro: Yohimbine inhibits alpha2-receptor antagonist with Ki of 1.05 nM, 1.19 nM, and 1.19 nM for α2A, α2B, α2C, respectively. Yohimbine also inhibits 5-HT1B with Ki of 19.9 nM. Yohimbine acts to block the lowering of cAMP by alpha-2 adrenoceptor agonists. yohimbine actually causes a pronounced lowering of tyrosinase activity. [3] in vivo: Yohimbine is an antagonist at alpha2-noradrenaline receptors with putative panicogenic effects in human subjects, was administered to Swiss-Webster mice at doses of 0.5, 1.0, and 2.0 mg/kg. Yohimbine potentiates active defensive responses to threatening stimuli in Swiss-Webster mice.[2] Yohimbine is a potent and relatively nonselective alpha 2-adrenergic receptor (AR) antagonist, with IC50 of 0.6 μM. IC50 value: 0.6 uM [1] Target: alpha 2-adrenergic receptor in vitro: Yohimbine inhibits alpha2-receptor antagonist with Ki of 1.05 nM, 1.19 nM, and 1.19 nM for α2A, α2B, α2C, respectively. Yohimbine also inhibits 5-HT1B with Ki of 19.9 nM. Yohimbine acts to block the lowering of cAMP by alpha-2 adrenoceptor agonists. yohimbine actually causes a pronounced lowering of tyrosinase activity. [3] in vivo: Yohimbine is an antagonist at alpha2-noradrenaline receptors with putative panicogenic effects in human subjects, was administered to Swiss-Webster mice at doses of 0.5, 1.0, and 2.0 mg/kg. Yohimbine potentiates active defensive responses to threatening stimuli in Swiss-Webster mice.[2]
Stemmadenin
C21H26N2O3 (354.19433260000005)
A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several plant species including Rhazya stricta, Tabernaemontana dichotoma and Aspidosperma pyricollum.
methyl (2R)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
C21H26N2O3 (354.19433260000005)
2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane
(1E,2E,4E)-1-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrrolidin-3-ylidene]-4,6-dimethylocta-2,4-dien-1-olate
C21H24NO4- (354.17052440000003)
6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
C22H23FO3 (354.16311399999995)
7-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-7-phenylhept-6-enoic acid
Ethyl (2S,3S)-3-[[(2S)-1-[[(2S)-1-hydroxypent-4-yn-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
[3-carboxy-2-[(2E,5E,7E)-10-carboxydeca-2,5,7-trienoyl]oxypropyl]-trimethylazanium
C18H28NO6+ (354.19165280000004)
[3-carboxy-2-[(4E,6E,8E)-10-carboxydeca-4,6,8-trienoyl]oxypropyl]-trimethylazanium
C18H28NO6+ (354.19165280000004)
[3-carboxy-2-[(5E,7E,9E)-10-carboxydeca-5,7,9-trienoyl]oxypropyl]-trimethylazanium
C18H28NO6+ (354.19165280000004)
[3-carboxy-2-[(3E,6E,9E)-10-carboxydeca-3,6,9-trienoyl]oxypropyl]-trimethylazanium
C18H28NO6+ (354.19165280000004)
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
C18H22N6O2 (354.18041519999997)
Ala-Ala-Pro-Pro
C16H26N4O5 (354.19031060000003)
A tetrapeptide composed of two L-alanine units joined to two L-proline units by peptide linkages.
N-[2-[oxo-(2-phenoxyethylamino)methyl]phenyl]-2-oxolanecarboxamide
(1S,15R,18S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
C21H26N2O3 (354.19433260000005)
(1S,15R,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
C21H26N2O3 (354.19433260000005)
3,3-Difluoroandrostane-17-ol acetate
C21H32F2O2 (354.23702359999993)
(-)-Minovincinine
C21H26N2O3 (354.19433260000005)
A monoterpenoid indole alkaloid that is (-)-vincadifformine which carries a hydroxy group at position 19R. A natural product found in several plant species including Catharanthus roseus and Vinca minor.
5-[Diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester
C17H26N2O4S (354.16131960000007)
N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-4-oxo-4-(1-piperidinyl)butanamide
N-hydroxy-N-[(E)-(4-pyridin-2-ylphenyl)methylideneamino]heptanediamide
N-hydroxy-N-[(E)-(4-pyridin-4-ylphenyl)methylideneamino]heptanediamide
N-hydroxy-N-[(E)-(4-pyridin-3-ylphenyl)methylideneamino]heptanediamide
1-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine
C18H22N6O2 (354.18041519999997)
N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester
1-(2,4-Diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl)propan-1-one
2-O-methyl-alpha-L-fucopyranosyl-(1->2)-4-O-methyl-beta-D-galactopyranose
3,6-di-O-methyl-beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranose
A disaccharide derivative consisting of alpha-L-rhamnose having a 3,6-di-O-methyl-beta-D-glucosyl residue attached at the 4-position; corresponds to the carbohydrate portion of synthetic antigens containing the Mycobacterium leprae-specific epitope.
N-(2-butan-2-ylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
[(8S,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10S)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10S)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
[(8S,9R,10R)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10R)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10S)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
1-[(2R,3R)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
C21H23FN2O2 (354.17434699999995)
cyclopentyl-[(2R,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
cyclopentyl-[(2S,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
1-[(2S,3R)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
C21H23FN2O2 (354.17434699999995)
1-[(2S,3S)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
C21H23FN2O2 (354.17434699999995)
(1R,15R,18S,19R,20R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
C21H26N2O3 (354.19433260000005)
[(1R,9R,10S,12R,13S,14R,16S,18R)-13-ethyl-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate
C21H26N2O3 (354.19433260000005)
Propyl 2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate
C21H26N2O3 (354.19433260000005)
(9R,17S)-9-fluoro-6,11,17-trihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Methyl (2beta,3beta,5alpha,12beta,19alpha)-3-hydroxy-6,7-didehydroaspidospermidine-3-carboxylate
C21H26N2O3 (354.19433260000005)
(3R,9R,17S)-9-fluoro-10,13,17-trimethyl-2,3,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,6,11,17-tetrol
12-isothiocyanato-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
C17H26N2O4S (354.16131960000007)
methyl (1S,14S,15S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
C21H26N2O3 (354.19433260000005)
methyl (2S)-2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoate
methyl (1S,11S,17R,18R)-18-[(1R)-1-methoxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
C21H26N2O3 (354.19433260000005)
Tetra(N-butyl)-1,2-dichlorodisilane
C16H36Cl2Si2 (354.17324759999997)
Tert-butyldifluorotris(trimethylsilyl)methylsilane
methyl (1S,9S,12R,16S,18R,21R)-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
C21H26N2O3 (354.19433260000005)
1-Pentamethyldisilanyloxy-4-pentamethyldisilanylbenzene
(7Z)-7-ethylidene-1-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3-indole]-2-one
C21H26N2O3 (354.19433260000005)
(1S,12S,13S,14R,15E,17S)-15-ethylidene-7-methoxy-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylic acid
aspidospermine
An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.
1-lauroyl-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate having lauroyl (dodecanoyl) as the 1-O-acyl group.
16R,19E-isositsirikine
C21H26N2O3 (354.19433260000005)
A natural product found in Alstonia spatulata.
16-epivincamine
C21H26N2O3 (354.19433260000005)
A natural product found in Alstonia spatulata.
alpha-L-Fucp2Me-(1->2)-beta-D-Galp4Me
A disaccharide derivative consisting of a 2-O-methylfucosyl residue joined by an alpha-(1->2)-linkage to a 4-O-methyl-beta-D-galactose.
(3R)-3-hydroxy-2,3-dihydrotabersonine
C21H26N2O3 (354.19433260000005)
A monoterpenoid indole alkaloid obtained by formal hydration across the 2,3-double bond of tabersonine.
(+)-Minovincinine
C21H26N2O3 (354.19433260000005)
A monoterpenoid indole alkaloid that is (+)-vincadifformine which carries a hydroxy group at position 19S. A natural product found in several plant species including Alstonia venenata and Catharanthus trichophyllus.
(1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
C21H26N2O3 (354.19433260000005)
15beta-stemmadenine
C21H26N2O3 (354.19433260000005)
A monoterpenoid indole alkaloid with forumula C21H26N2O3, isolated from the fruits of Tabernaemontana heyneana.
JZP-430
JZP-430 is a potent, highly selective, irreversible inhibitor of α/β-hydrolase domain 6 (ABHD6) with an IC50 of 44 nM, exhibits ~230-fold selectivity over fatty acid amide hydrolase (FAAH) and lysosomal acid lipase (LAL)[1].