Exact Mass: 350.18257339999997
Exact Mass Matches: 350.18257339999997
Found 500 metabolites which its exact mass value is equals to given mass value 350.18257339999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Andrographolide
Andrographolide is a labdane diterpenoid isolated from the leaves and roots of Andrographis paniculata that exhibits anti-HIV, anti-inflammatory and antineoplastic properties. It has a role as a metabolite, an anti-inflammatory drug, an anti-HIV agent and an antineoplastic agent. It is a gamma-lactone, a primary alcohol, a secondary alcohol, a labdane diterpenoid and a carbobicyclic compound. Andrographolide (HMPL-004) is a botanical product extracted from a herb that occurs naturally in China. The herb has an extensive history of use in TCM for the treatment of upper respiratory tract infections and other inflammatory and infectious diseases. Andrographolide is a natural product found in Andrographis paniculata, Ginkgo biloba, and Cymbopogon schoenanthus with data available. Andrographolide is a labdane diterpenoid that is produced by the Andrographis paniculata plant, which has a broad range of therapeutic applications including anti-inflammatory and anti-platelet aggregation activities and potential antineoplastic properties. Since andrographolide has multiple therapeutic activities there are several proposed mechanisms of action for this agent. The anti-inflammatory effects of this agent appear to be related to the inhibition of nitric oxide (NO) production by macrophages. This agent may activate the NO/cyclic GMP pathway and inhibit both the phospholipase C gamma 2 (PLC gamma2)/protein kinase C (PKC) and PI3K/AKT-MAPK signaling pathways in activated platelets to inhibit platelet aggregation. In activated platelets, these three signaling pathways are downstream of integrin activation mediated by collagen binding and influence the association of fibrinogen with its receptors. Additionally, andrographolide may exert its anti-cancer activity through the induction of cell cycle arrest at G0/G1 phase and the stimulation of lymphocyte proliferation and activation. These processes could result in decreased proliferation of and increased immunocytotoxicity against tumor cells. A labdane diterpenoid isolated from the leaves and roots of Andrographis paniculata that exhibits anti-HIV, anti-inflammatory and antineoplastic properties. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Origin: Plant; SubCategory_DNP: Diterpenoids, Andrographolide diterpenoids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.941 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.939 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.936 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.938 Andrographolide is a NF-κB inhibitor, which inhibits NF-κB activation through covalent modification of a cysteine residue on p50 in endothelial cells without affecting IκBα degradation or p50/p65 nuclear translocation. Andrographolide has antiviral effects. Andrographolide is a NF-κB inhibitor, which inhibits NF-κB activation through covalent modification of a cysteine residue on p50 in endothelial cells without affecting IκBα degradation or p50/p65 nuclear translocation. Andrographolide has antiviral effects.
(1R)-trans-Phenothrin
Fenugrin a, also known as sumithrin or phenothrin, (1s-cis)-isomer, is a member of the class of compounds known as pyrethroids. Pyrethroids are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group. Fenugrin a is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Fenugrin a can be found in fenugreek, which makes fenugrin a a potential biomarker for the consumption of this food product. Fenugrin a is a non-carcinogenic (not listed by IARC) potentially toxic compound. Following oral exposure, the treatment is symptomatic and supportive and includes monitoring for the development of hypersensitivity reactions with respiratory distress. Provide adequate airway management when needed. Gastric decontamination is usually not required unless the pyrethrin product is combined with a hydrocarbon. Following inhalation exposure, move patient to fresh air. monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. If the contamination occurs through dermal exposure, Remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. Vitamin E topical application is highly effective in relieving parenthesis (L363) (T3DB). P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Vomilenine
C21H22N2O3 (350.16303419999997)
An indole alkaloid that is vinorine bearing a hydroxy substituent at position 21.
15-Keto-prostaglandin E2
15-keto-PGE2 is one of the prostaglandin E2 metabolites. (PMID 7190512). It is a degradation product produced by 15-hydroxy prostaglandin dehydrogenase (PGDH or 15-PGDH). Dinoprostone is a naturally occurring prostaglandin E2 (PGE2) and the most common and most biologically active of the mammalian prostaglandins. It has important effects in labour and also stimulates osteoblasts to release factors which stimulate bone resorption by osteoclasts (a type of bone cell that removes bone tissue by removing the bones mineralized matrix). PGE2 has been shown to increase vasodilation and cAMP production, to enhance the effects of bradykinin and histamine, to induce uterine contractions and to activate platelet aggregation. PGE2 is also responsible for maintaining the open passageway of the fetal ductus arteriosus; decreasing T-cell proliferation and lymphocyte migration and activating the secretion of IL-1alpha and IL-2. PGE2 exhibits both pro- and anti-inflammatory effects, particularly on dendritic cells (DC). Depending on the nature of maturation signals, PGE2 has different and sometimes opposite effects on DC biology. PGE2 exerts an inhibitory action, reducing the maturation of DC and their ability to present antigen. PGE2 has also been shown to stimulate DC and promote IL-12 production when given in combination with TNF-alpha. PGE2 is an environmentally bioactive substance. Its action is prolonged and sustained by other factors especially IL-10. It modulates the activities of professional DC by acting on their differentiation, maturation and their ability to secrete cytokines. PGE2 is a potent inducer of IL-10 in bone marrow-derived DC (BM-DC), and PGE2-induced IL-10 is a key regulator of the BM-DC pro-inflammatory phenotype. (PMID: 16978535). 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. 15-keto-PGE2 is one of the prostaglandin E2 metabolites. (PMID 7190512). It is a degradation product produced by 15-hydroxy prostaglandin dehydrogenase (PGDH or 15-PGDH)
9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid
9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid is also known as 15-Deoxy-15-oxo-prostaglandin D2. 9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid is considered to be practically insoluble (in water) and acidic. 9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid is an eicosanoid lipid molecule
Prostaglandin E3
Prostaglandin E3 is from the cyclooxygenase metabolism of eicosapentaenoic acid.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 E3 is from the cyclooxygenase metabolism of eicosapentaenoic acid.
alatolide
A germacrane sesquiterpenoid laactone obtained by formal condensation of the carboxy group of isobutyric acid with the secondary hydroxy group of trihydroxygermaeranolide.
Arctiopicrin
Arctiopicrin belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Arctiopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctiopicrin can be found in burdock, which makes arctiopicrin a potential biomarker for the consumption of this food product.
cathenamine
C21H22N2O3 (350.16303419999997)
A yohimban alkaloid with formula C21H22N2O3, produced by Catharanthus roseus and Rauvolfia serpentina plant species.
Prostaglandin D3
Prostaglandin D3 (PGD3) is a prostanoid that has been identified as an inhibitor of human platelet aggregation and as a modulator of autonomic nerve transmission. 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: 16986207, 6252026, 6952267, 4019112, 6945633Prostaglandins 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 D3 (PGD3) is a prostanoid that has been identified as an inhibitor of human platelet aggregation and as a modulator of autonomic nerve transmission. 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: 16986207, 6252026, 6952267, 4019112, 6945633
4,4-Difluoropregn-5-ene-3,20-dione
C21H28F2O2 (350.20572519999996)
Resolvin E1
Resolvin E1 is a resolvin, a bioactive oxygenated product of EPA (eicosapentaenoic acid). It is a inflammation-resolving lipid mediator. RvE1 reduces neutrophil hyper-function, it also prevents the initiation and progression of tissue destruction (PMID: 16373400). RvE1, can also act as a host response modulator in the control of the inflammatory diseases that also involve bone loss such as periodontitis and arthritis. RvE1 has been shown to display specific binding sites on human neutrophils with an apparent Kd of 47 nM (PMID: 15753205; 16373400). RvE1 is a potent modulator of leukocytes as well as selective platelet responses in blood and platelet-rich plasma (PMID: 18480426). [HMDB] Resolvin E1 is a resolvin, a bioactive oxygenated product of EPA (eicosapentaenoic acid). It is a inflammation-resolving lipid mediator. RvE1 reduces neutrophil hyper-function, it also prevents the initiation and progression of tissue destruction (PMID: 16373400). RvE1, can also act as a host response modulator in the control of the inflammatory diseases that also involve bone loss such as periodontitis and arthritis. RvE1 has been shown to display specific binding sites on human neutrophils with an apparent Kd of 47 nM (PMID: 15753205; 16373400). RvE1 is a potent modulator of leukocytes as well as selective platelet responses in blood and platelet-rich plasma (PMID: 18480426).
(5S)-hydroperoxy-18-hydroxy-EPE
(5S)-hydroperoxy-18-hydroxy-EPE is also known as (5S)-Hydroperoxy-18-hepe or 5(S)-HP-18-HEPE. (5S)-hydroperoxy-18-hydroxy-EPE is considered to be practically insoluble (in water) and acidic
Perakine
C21H22N2O3 (350.16303419999997)
An indole alkaloid having a ajmalan-type skeleton and characterised by a 17alpha-acetoxy group, a 21beta-methyl group, loss of the 1-methyl group with associated unsaturation at N(1)=C(2), and a 20alpha-formyl group in place of the 20beta-ethyl side-chain. Raucaffrine is a natural product found in Rauvolfia serpentina and Rauvolfia sprucei with data available. Perakine?is an indole alkaloid with anti-inflammatory activities[1].
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is found in fats and oils. (1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is found in fats and oils and herbs and spices.
8-iso-15-keto-PGE2
8-iso-15-keto-PGE2 is an 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 (PMID: 14504139). Dinoprostone is a naturally occurring prostaglandin E2 (PGE2) and the most common and most biologically active of the mammalian prostaglandins. It has important effects in labour and also stimulates osteoblasts to release factors which stimulate bone resorption by osteoclasts (a type of bone cell that removes bone tissue by removing the bones mineralized matrix). PGE2 has been shown to increase vasodilation and cAMP production, to enhance the effects of bradykinin and histamine, to induce uterine contractions and to activate platelet aggregation. PGE2 is also responsible for maintaining the open passageway of the fetal ductus arteriosus; decreasing T-cell proliferation and lymphocyte migration and activating the secretion of IL-1alpha and IL-2. PGE2 exhibits both pro- and anti-inflammatory effects, particularly on dendritic cells (DC). Depending on the nature of maturation signals, PGE2 has different and sometimes opposite effects on DC biology. PGE2 exerts an inhibitory action, reducing the maturation of DC and their ability to present antigen. PGE2 has also been shown to stimulate DC and promote IL-12 production when given in combination with TNF-alpha. PGE2 is an environmentally bioactive substance. Its action is prolonged and sustained by other factors especially IL-10. It modulates the activities of professional DC by acting on their differentiation, maturation and their ability to secrete cytokines. PGE2 is a potent inducer of IL-10 in bone marrow-derived DC (BM-DC), and PGE2-induced IL-10 is a key regulator of the BM-DC pro-inflammatory phenotype (PMID: 16978535). 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-15-keto-PGE2 is an 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. (PMID: 14504139)
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is found in fats and oils. (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is found in fats and oils and herbs and spices.
Millefin
Millefin is found in herbs and spices. Millefin is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). Millefin is found in herbs and spices.
15-Epi-lipoxin B5
15-epi-lipoxin B5 is a lipoxin derivative. Lipoxins (LXs) and aspirin-triggered Lipoxin (ATL) are trihydroxytetraene-containing eicosanoids generated from arachidonic acid that are distinct in structure, formation, and function from the many other proinflammatory lipid-derived mediators. These endogenous eicosanoids have now emerged as founding members of the first class of lipid/chemical mediators involved in the resolution of the inflammatory response. Lipoxin A4 (LXA4), ATL, and their metabolic stable analogs elicit cellular responses and regulate leukocyte trafficking in vivo by activating the specific receptor, ALX. Many of the eicosanoids derived from arachidonic acid (AA2), including prostaglandins (PGs) and leukotrienes (LTs), play important roles as local mediators exerting a wide range of actions relevant in immune hypersensitivity and inflammation. However, recent observations indicate that other agents derived from the lipoxygenase (LO) pathways are formed and play a key role in initiating the resolution of acute inflammation. This phenomenon is an active process that is governed by specific lipid mediators and involves a series of well-orchestrated temporal events. Thus, potent locally released mediators serve as checkpoint controllers of inflammation. In addition to the well-appreciated ability of aspirin to inhibit PGs, aspirin also acetylates cyclooxygenase (COX)-2, triggering the formation of a 15-epimeric form of lipoxins, termed aspirin-triggered LXA4 (ATL). These eicosanoids (i.e., LXA4 and ATL) with a unique trihydroxytetraene structure function as stop signals in inflammation and actively participate in dampening host responses to bring the inflammation to a close, namely, resolution. LXA4 and ATL elicit the multicellular responses via a specific G protein-coupled receptor (GPCR) termed ALX that has been identified in human. (PMID: 16968948, 11478982). 15-epi-lipoxin B5 is a lipoxin derivative
Oryzalic acid B
Oryzalic acid B is found in cereals and cereal products. Oryzalic acid B is isolated from leaves of a blight-resistant rice cultivar. Isolated from leaves of a blight-resistant rice cultivariety Oryzalic acid B is found in cereals and cereal products.
(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid
(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid is found in fruits. (ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid is a constituent of Cucurbita maxima. Constituent of Cucurbita maxima. 6alpha,7alpha,12alpha-Trihydroxykaurenoic acid is found in fruits and japanese pumpkin.
Prostaglandin H3
Prostaglandin H3 (PGH3) can be enzymatically converted by platelets into thromboxane A3 (TXA3). Both prostaglandin H2 (PGH2) and thromboxane A2 (TXA2) aggregate human platelet-rich plasma. In contrast, PGH3 and TXA3 do not. PGH3 and TXA3 increase platelet cyclic AMP in platelet-rich plasma and thereby (1) inhibit aggregation by other agonists, (2) block the ADP-induced release reaction, and (3) suppress platelet phospholipase-A2 activity or events leading to its activation. PGI3 (A7-prostacyclin; synthesized from PGH3 by blood vessel enzyme) and PGI2 (prostacyclin) exert similar effects. Both compounds are potent coronary relaxants that also inhibit aggregation in human platelet-rich plasma and increase platelet adenylate cyclase activity. 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 H3 (PGH3)can be enzymatically converted by platelets into thromboxane A3. Both PGH2 and thromboxane A2 aggregate human platelet-rich plasma. In contrast, PGH3 and thromboxane A3 do not. PGH3 and thromboxane A3 increase platelet cyclic AMP in platelet-rich plasma and thereby: (i) inhibit
Calonectrin
Mycotoxin. of Calonectria nivalis Mycotoxin. of Calonectria nivali
trans-p-Menthane-1,7,8-triol 8-glucoside
trans-p-Menthane-1,7,8-triol 8-glucoside is found in herbs and spices. trans-p-Menthane-1,7,8-triol 8-glucoside is a constituent of Foeniculum vulgare (fennel) Constituent of Foeniculum vulgare (fennel). cis-p-Menthane-1,7,8-triol 8-glucoside is found in herbs and spices.
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is found in fats and oils. (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is found in fats and oils and herbs and spices.
Oryzalic acid A
Oryzalic acid A is found in cereals and cereal products. Oryzalic acid A is isolated from rice leaves. Isolated from rice leaves. Oryzalic acid A is found in cereals and cereal products.
12-Oxo-20-hydroxy-leukotriene B4
12-oxo-20-hydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region, and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). Leukotrienes 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. 12-oxo-20-hydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 7649996, 17623009, 2853166, 6088485)
15-Oxo-lipoxin A4
15-oxo-lipoxin A4 is a lipoxin derivative. Lipoxins (LXs) and aspirin-triggered Lipoxin (ATL) are trihydroxytetraene-containing eicosanoids generated from arachidonic acid that are distinct in structure, formation, and function from the many other proinflammatory lipid-derived mediators. These endogenous eicosanoids have now emerged as founding members of the first class of lipid/chemical mediators involved in the resolution of the inflammatory response. Lipoxin A4 (LXA4), ATL, and their metabolic stable analogs elicit cellular responses and regulate leukocyte trafficking in vivo by activating the specific receptor, ALX. Many of the eicosanoids derived from arachidonic acid (AA2), including prostaglandins (PGs) and leukotrienes (LTs), play important roles as local mediators exerting a wide range of actions relevant in immune hypersensitivity and inflammation. However, recent observations indicate that other agents derived from the lipoxygenase (LO) pathways are formed and play a key role in initiating the resolution of acute inflammation. This phenomenon is an active process that is governed by specific lipid mediators and involves a series of well-orchestrated temporal events. Thus, potent locally released mediators serve as checkpoint controllers of inflammation. In addition to the well-appreciated ability of aspirin to inhibit PGs, aspirin also acetylates cyclooxygenase (COX)-2, triggering the formation of a 15-epimeric form of lipoxins, termed aspirin-triggered LXA4 (ATL). These eicosanoids (i.e., LXA4 and ATL) with a unique trihydroxytetraene structure function as stop signals in inflammation and actively participate in dampening host responses to bring the inflammation to a close, namely, resolution. LXA4 and ATL elicit the multicellular responses via a specific G protein-coupled receptor (GPCR) termed ALX that has been identified in human. (PMID: 16968948, 11478982). 15-oxo-lipoxin A4 is a lipoxin derivative
20-oxo-leukotriene B4
20-oxo-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region, and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). Leukotrienes 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. 20-oxo-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 7649996, 17623009, 2853166, 6088485)
5,12,18R-TriHEPE
This compound belongs to the family of Leukotrienes. These are eicosanoids containing an hydroxyl group attached to the aliphati chain of an arachidonic acid.
15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid is also known as 15-keto-Lipoxin a4 or 15-oxo-LXA4. 15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid is considered to be practically insoluble (in water) and acidic. 15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid is an eicosanoid lipid molecule
(5S)-hydroperoxy-18-hydroxy-EPE(1-)
(5S)-hydroperoxy-18-hydroxy-EPE(1-) is considered to be practically insoluble (in water) and acidic
Ethyl apovincaminate
(Z)-7-[(1R,3R)-3-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
Andrographolide
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
Disofenin
C18H26N2O5 (350.18416260000004)
Strychnine N-oxide
C21H22N2O3 (350.16303419999997)
Paquinimod
C21H22N2O3 (350.16303419999997)
C308 - Immunotherapeutic Agent
Prostaglandin I3
Romergoline
(5S,12R,18R)-5,12,18-Trihydroxyicosa-6,8,10,14,16-pentaenoic acid
Thromboxane A3
5-((2-(Diethylamino)ethyl)amino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one
Carthamoside A1
Carthamoside a1 is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Carthamoside a1 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carthamoside a1 can be found in safflower, which makes carthamoside a1 a potential biomarker for the consumption of this food product.
polyneuridine aldehyde
C21H22N2O3 (350.16303419999997)
Polyneuridine aldehyde is a member of the class of compounds known as macroline alkaloids. Macroline alkaloids are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids. Polyneuridine aldehyde is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Polyneuridine aldehyde can be found in a number of food items such as allspice, peach, italian sweet red pepper, and orange bell pepper, which makes polyneuridine aldehyde a potential biomarker for the consumption of these food products.
7β-Hydroxylathyrol
7beta-Hydroxylathyrol is a natural product. 7beta-Hydroxylathyrol is a natural product.
Vinpocetine
Vinpocetine is an alkaloid. It has a role as a geroprotector. Vinpocetine has been investigated for the treatment of Epilepsy. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C932 - Vinca Alkaloid Compound C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids C1907 - Drug, Natural Product D020011 - Protective Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.895 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.892 Vinpocetine (Ethyl apovincaminate) is a derivative of the alkaloid Vincamine that blocks voltage-gated Na+ channels. The IC50 value of Vinpocetine on direct IKK inhibition in the cell-free system is 17.17 μM. Vinpocetine is a phosphodiesterase (PDE) inhibitor and inhibits NF-κB-dependent inflammatory responses by directly targeting IκB kinase complex (IKK), and has been widely used for the treatment of cerebrovascular disorders[1][2][3]. Vinpocetine (Ethyl apovincaminate) is a derivative of the alkaloid Vincamine that blocks voltage-gated Na+ channels. The IC50 value of Vinpocetine on direct IKK inhibition in the cell-free system is 17.17 μM. Vinpocetine is a phosphodiesterase (PDE) inhibitor and inhibits NF-κB-dependent inflammatory responses by directly targeting IκB kinase complex (IKK), and has been widely used for the treatment of cerebrovascular disorders[1][2][3].
17-Hydroxyisolathyrol
17-Hydroxyisolathyrol is a macrocychc lathyrol derivative isolated from seeds of Euphorbla luthyrrs[1].
Strychnine N-Oxide
C21H22N2O3 (350.16303419999997)
A tertiary amine oxide resulting from the oxidation of the non-acylated nitrogen of strychnine. It is a metabolite of strychnine.
Vahlenin
2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester
[1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-4-ethoxy-1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Eriolanin
Pseudostrychnine
C21H22N2O3 (350.16303419999997)
A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 16 has been replaced by a hydroxy group.
16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide
1.Xi.,5.xi.,7.xi.,10.xi.-Ambros-11(13)-en-12-oic acid, 1,6,14-trihydroxy-4-oxo-, .gamma.-lactone,14-isobutyrate
(E,Z,E,Z)-2-(9-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadienedioic acid
6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione
(E,E)-5-[4-(Acetyloxy)-2-methyl-2-butenyl]-3-[5-(acetyloxy)-4-methyl-3-pentenyl]-2(5H)-furanone
6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide
(ent-6alpha,13E)-6,16-Dihydroxy-17-oxo-7,13-labdadien-15-oic acid
(E,Z,Z,Z)-2-(9-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadienedioic acid
16,17,18,20-Tetrahydroxynerylgeran-1-oic acid lactone
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
C21H22N2O3 (350.16303419999997)
Ethyl eburnamenine-14-carboxylate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids D020011 - Protective Agents
4,21-Dehydrocorynantheine aldehyde
C21H22N2O3 (350.16303419999997)
13,16alpha,17-trihydroxy-ent-9(11)-kauren-19-oic acid
7beta,18,19-trihydroxy-ent-clerodan-3,13-dien-16,15-diolide
2beta-hydroxy-ent-clerod-3-en-15-oic acid-18,19-olide
5beta-angeloyloxy-3a,4,5,6,7,7a-hexahydro-3abeta-methyl-1H-indene-2,4beta-dioic acid dimethyl ester
O3-Me,O1-(3-methyl-2-butenyl),di-Ac-3,5-Dihydroxy-4-methyl-1,2-benzenedimethanol
3alpha-angeloyloxy-4alpha,11-dihydroxy-eudesm-6-en-8-one|3alpha-angeloyloxy-4alpha,11-hihydroxyeudesm-6-en-8-one
10-hydroxydecanoic acid 10-O-beta-D-glucopyranoside
11,12,15-Trihydroxy-16-kauren-19-oic acid|ent-11alpha,12alpha,15alpha-trihydroxykaur-16-en-19-oic acid
3,7-dimethyl-1-octene-3,6,7-triol-6-O-beta-D-glucopyranoside|3,7-dimethyloct-1-ene-3,6,7-triol 6-O-beta-D-glucopyranoside
(1S,2S,4R,8R)-p-menthane-1,2,9-triol 2-O-beta-D-glucopyranoside
3-desoxy-8-epi-hymenoxon(2-methylbutyrate)|3-desoxy-8-epi-hymenoxon<2-methylbutyrate>
3alpha,8beta,14beta-trihydroxyabiet-13,15-en-16,12-olide|suremulide
4-hydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethyl)cyclohex-2-en-1-yl]-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one|katsumadain
9beta-hydroxy-8beta-isobutyryloxy-1beta,10alpha-epoxycostunolide
1-deoxyrabdoserrin B|7alpha,12alpha,14beta,20-tetrahydroxy-ent-kaur-16-en-15-one|excisanin I
1,5,6-TRI-O-ACETYL-2,3,4-TRI-O-METHYLHEXITOL (1-D)
7beta,16beta,17-trihydroxy-ent-kauran-6beta,19-olide
ent-15beta-fluoro-1beta,7alpha-dihydroxy-19-norkaur-16-ene-4beta,6beta-carbolactone
3beta-hydroxy-abieta-8(14)-en-18-oic acid 9alpha,13alpha-endoperoxide
(+)-miliusane XX|[4alpha-methoxy-7alpha-(2,6-dimethyl-hepta-1,5-dienyl)-2-oxo-6beta-oxa-bicyclo[3.2.1]oct-1-yl]acetic acid methyl ester
18-acetoxy nor fluorocurarine|18-Acetoxynorfluorocurarine
C21H22N2O3 (350.16303419999997)
2beta,3beta,17,19-tetrahydroxyspongia-13(16),14-diene
9alpha-isobutyryloxy-4beta,5alpha-epoxydesacetyl laurenobiolide
1beta,10alpha-dihydroxy-6beta-[(2-methylpropyl)oxy]furanoeremophil-9-one|rel-(4S,4aS,5S,8R,8aR)-4,4a,5,6,7,8,8a-octahydro-8,8a-dihydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl 2-methylpropanoate
(-)-(1S,2R,3S,6R,9S,10R)-2alpha,3alpha-diacetoxy-9alpha-hydroxyamorpha-4,7(11)-dien-8-one
3beta,8alpha-dihydroxy-6beta-isobutyryloxyeremophil-1(10),7(11)-dien-12,8beta-olide
9beta,15-diacetoxygermacra-1(10),4-dien-11beta,13-dihydro-6alpha,12-olide
14-hydroxy-8beta-isobutyryloxy-1beta,10alpha-epoxycostunolide
1alpha,3beta-diacetoxyeudesm-4-en-6beta,11betaH-12,6-olide
3beta,8alpha-dihydroxyguaia-4(15),10(14)-dien-1alpha,5alpha,6beta,11betaH,12,6-olide 8-O-<2(S)-3-hydroxy-2-methylpropionate>
12-Hydroxystrychnine|4-hydroxy-strychnidin-10-one|4-Hydroxy-strychnin|4-hydroxy-strychnine|4-Hydroxystrychnin|4-Hydroxystrychnine
C21H22N2O3 (350.16303419999997)
2beta-ethoxy-2,3-dihydrohelenalin-6-O-acetate|2beta-ethoxy-6-O-acetyl-2,3-dihydrohelenalin
8-(2-Methylpropanoyl)-(1(10)E,4beta,5alpha,6beta,7alpha,8alpha)-form-4,5-Epoxy-7,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide
2beta,4a,8xi-Trihydroxy-1beta,8xi-dimethyl-4aalpha,7beta-gibban-1alpha,10beta-dicarbonsaeure-1=>4a-lacton|2beta,4a,8xi-trihydroxy-1beta,8xi-dimethyl-4aalpha,7beta-gibbane-1alpha,10beta-dicarboxylic acid-1=>4a lactone|Gibberellin A(2)|Gibberellin-A(2)
2-Methylbutyric acid [3-[3-methoxy-4-(isobutyryloxy)phenyl]oxiranyl]methyl ester
10alpha-hydroxy-9alpha-isobutyryloxy-1alpha,4alpha-endoperoxyguaia-2,11(13)-dien-12,6alpha-olide
(1R,4S)-1,5-cyclo-5alpha-hydroxy-8alpha-isobutyryloxy-7alpha,10alpha-oxagermacran-12,6beta-olide
(1aR,4S,4aS,5S,5aS,6S,8aS,9aS)-octahydro-4,4a,6-trimethyl-7-oxo-5a,8a-epoxyoxireno[8,8a]naphtho[2,3-b]furan-5(9H)-yl 2-methylpropanoate|11alphaH-6beta-isobutyryloxy-1beta,10beta,7beta,8beta-diepoxyeremophilan-12,8alpha-olide
(-)-12,15-diacetoxy-6beta-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
(-)-6beta,12-diacetoxy-15-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
(-)-6beta,15-diacetoxy-12-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
4beta,15beta-dihydroxy-2a-isobutyryloxyguaiac-10(14),11(13)-dien-8beta,12-olide|minimolide G
(4S,4aS,5S,8R,8aS)-4,4a,5,6,7,8,8a,9-octahydro-8,8a-dihydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
Spiro[furan-3(2H),2-[2H]inden]-2-one, 1,7-bis(acetyloxy)decahydro-3a,4-dimethyl-4-methylene-, [1R-(1.alpha.,2.alpha.,3a.alpha.,4.alpha.,7.beta.,7a.alpha.)]-
15-hdyroxy-8alpha-(3-hydroxy-isobutanoyloxy)-elemane-1,3,11(13)-trien-12,6-olide
15-hydroxy-strychnidin-10-one|15-hydroxy-strychnine|15-Hydroxystrychnin|15-Hydroxystrychnine
C21H22N2O3 (350.16303419999997)
19-methylene-ibogamine-18-carboxylic acid methyl ester|Coronaridin
3-methoxyxanthocillin X dimethyl ether
C21H22N2O3 (350.16303419999997)
ethyl 6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranoside|ethyl beta-D-thevetopyranosyl-(1->4)-beta-D-oleandropyranoside
5-Hydroxy-2-(8-phenyloctyl)-4H-1-benzopran-4-one|castanone
9-(2-Methylpropanoyl)-(1(10)E,4beta,5alpha,6alpha,8alpha,9alpha)-4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide
2-O-beta-D-glucopyranosyl eucommiol|eucommioside|Eucommioside I|EucommiosideI
4alpha-[2-hydroxymethylacryloxy]-1beta-hydroxy-14-(5->6)abeoeremophilan-12,8-olide
16,19-Seco-strychnidin-10,16-dion|16,19-seco-strychnidine-10,16-dione|icajine|Pseudostrychnin
C21H22N2O3 (350.16303419999997)
11beta,13-Dihydro-8alpha-hydroxy-1alpha-<2-(hydroxymethyl)acryloyloxy>cyclocostunolid|11beta,13-Dihydro-8alpha-hydroxy-1alpha-[2-(hydroxymethyl)acryloyloxy]cyclocostunolid
1-acetyl-17,18-epoxy-cura-2(16),19-dien-17-ol|2,16-Dehydrodiabolin
C21H22N2O3 (350.16303419999997)
9alpha,14-dihydroxy-15-isobutyryloxy-costunolide|9alpha,14-dihydroxy-15-isobutyryloxycostunolide
(3E,6alpha,8beta)-6,14,15-trihydroxy-8-(2-methylacryloxy)germacra-3,11(13)-dieno-12,6-lactone|8alpha-methylacryloxy-14,15-dihydroxy-3(4),11(13)-germacradien-6,12-olide
benzastatin C
C19H27ClN2O2 (350.17609519999996)
A quinoline alkaloid that is 1,2,3,4-tetrahydroquinoline-6-carboxamide substituted by a chloro group at position 3 and a 3,4-dimethylpent-3-en-1-yl and a methoxymethyl group at position 2 (the 2R,3R stereoisomer). Isolated from the culture broth of Streptomyces nitrosporeus 30643, it exhibits inhibitory potential against lipid peroxidation and anti-HSV activity.
(1S,2S,4R)-p-Menth-1,2,8-triol 2-O-??-D-glucopyranoside|(1S,2S,4R)-p-menthane-1,2,8-triol 2-O-beta-D-glucopyranoside
(+)-12,13-epoxy-3alpha,8alpha-dihydroxytrichothec-9-en-4beta-yloxy isocrotonate|trichothecinol C
(2S)-2-amino-5-{[(Z)-3-(4-hydroxyphenyl)-2-methoxy-2-propenoyl]amino}{[(imino)methyl]amino}pentanoic acid
2-oxo-10alpha-peroxi-8beta-isobutyryloxyguaia-3,11(13)-dien-12,6alpha-olide
10-hydroxystrychnine|2-hydroxy-strychnidin-10-one|2-Hydroxy-strychnin|2-hydroxy-strychnine
C21H22N2O3 (350.16303419999997)
16-acetoxy-3,15-dimethyl-17-nor-cura-2(16),19-diene
1-[6-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,4-dihydroxy-3-methoxyphenyl]-2-hydroxyethanone
8-(2-Methylpropanoyl)-(1alpha,4beta,5beta,6beta,7alpha,8alpha,10alpha)-form-7,10-Epoxy-4,8-dihydroxy-11-guaien-12,6-olide
16, 17-dihydro-16alpha, 17-dihydroxy gibberellin A9
Vallesiachotamine
C21H22N2O3 (350.16303419999997)
Anticancer agent 96
Scandine
C21H22N2O3 (350.16303419999997)
CID 12082288 is a natural product found in Melodinus fusiformis with data available.
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
phenothrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5809; ORIGINAL_PRECURSOR_SCAN_NO 5806 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5831; ORIGINAL_PRECURSOR_SCAN_NO 5829 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5837; ORIGINAL_PRECURSOR_SCAN_NO 5834 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5839; ORIGINAL_PRECURSOR_SCAN_NO 5837 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10868; ORIGINAL_PRECURSOR_SCAN_NO 10863 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10984; ORIGINAL_PRECURSOR_SCAN_NO 10980
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_major
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_29.0\\%
2-Pyrrolidinone, 4-(2-morpholinoethyl)-3,3-diphenyl-
trans-p-Menthane-1,7,8-triol 8-glucoside
Calonectrin
Millefin
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside
2,5-dibenzyl-hexahydro-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid methyl ester
(3S,4R)-1-BOC-3-HYDROXYMETHYL-4-(4-FLUOROPHENYL)-PIPERIDINE
C18H26N2O5 (350.18416260000004)
BENZYL 3-((TERT-BUTOXYCARBONYLAMINO)METHYL)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
C18H26N2O5 (350.18416260000004)
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-methylpyrimidine-5-carboxylate
C17H26N4O4 (350.19539560000004)
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINEHYDROCHLORIDE
C18H26N2O5 (350.18416260000004)
TERT-BUTYL5-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YLCARBAMATE
(3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine
C18H26N2O5 (350.18416260000004)
methyl 4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
C18H27FN2O2Si (350.18257339999997)
2-(4-BOC-PIPERAZINYL)-2-(3-METHOXY-PHENYL)ACETIC ACID
C18H26N2O5 (350.18416260000004)
tert-butyl (3R)-3-{[(benzyloxy)carbonyl]amino}-4-(hydroxyMethyl)
C18H26N2O5 (350.18416260000004)
BENZYL (3R,4R)-3-(TERT-BUTOXYCARBONYLAMINO)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE
C18H26N2O5 (350.18416260000004)
n6-(6-aminohexyl)-2-deoxyadenosine
C16H26N6O3 (350.20662860000004)
3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-allofuranose
BENZYL (3R,4R)-4-(TERT-BUTOXYCARBONYLAMINO)-3-HYDROXYPIPERIDINE-1-CARBOXYLATE
C18H26N2O5 (350.18416260000004)
1H-Indole,1-[(2-ethyl-2,3-dihydro-6-methyl-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-2,3-dihydro-(9CI)
C21H22N2O3 (350.16303419999997)
(6a,11b,16a)-6,9-Difluoro-11-hydroxy-16-methylandrosta-1,4-diene-3,17-dione
2-(2-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
C18H26N2O5 (350.18416260000004)
4-Cbz-1-Boc 2-(hydroxyMethyl)piperazine
C18H26N2O5 (350.18416260000004)
4,4,5,5-tetramethyl-2-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
9-Amino-N-(2-(4-morpholinyl)ethyl)-4-acridinecarboxamide
(S)-1-[3-(Cyclopropyl-Methyl-aMino)-propyl]-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
C22H23FN2O (350.17943199999996)
1,8-Diazaspiro[5.5]undecane-8-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
C16H25F3N2O3 (350.18171759999996)
1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
C16H25F3N2O3 (350.18171759999996)
1H-Indole,1-[(2-ethyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-2,3-dihydro-2-methyl-(9CI)
C21H22N2O3 (350.16303419999997)
benzyl (3R,4R)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
C18H26N2O5 (350.18416260000004)
4-(2-TERT-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-BUTYRIC ACID
C18H26N2O5 (350.18416260000004)
D-Phenothrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
3-O-Benzyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose
1-O-benzyl 4-O-tert-butyl (2R)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate
C18H26N2O5 (350.18416260000004)
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D004791 - Enzyme Inhibitors
3-Pyridinecarboxylic acid, 1-(2-(((diphenylmethylene)amino)oxy)ethyl)-1,2,5,6-tetrahydro-
C21H22N2O3 (350.16303419999997)
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
C21H22N2O3 (350.16303419999997)
Trichothec-9-ene-3,15-diol, 12,13-epoxy-, 15-acetate, (3alpha)-
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
1-[4-Carboxy-2-(3-pentylamino)phenyl]-5,5-DI(hydroxymethyl)pyrrolidin-2-one
C18H26N2O5 (350.18416260000004)
[5-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester
Disofenin
C18H26N2O5 (350.18416260000004)
[(10S,12S,13E,14R,16S,18R)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
C21H22N2O3 (350.16303419999997)
methyl (15alpha,16R,19E)-17-oxosarpagan-16-carboxylate
C21H22N2O3 (350.16303419999997)
[(1R,2R,10R)-10-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-2-yl]methyl acetate
[(10S,12S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
C21H22N2O3 (350.16303419999997)
methyl (1R,10S,11S,12E,17S)-12-ethylidene-10-formyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene-10-carboxylate
C21H22N2O3 (350.16303419999997)
(1R,2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
methyl (15E)-15-ethylidene-13-formyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
C21H22N2O3 (350.16303419999997)
(2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-2-quinolinyl]-2-methylpropanamide
C21H22N2O3 (350.16303419999997)
N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine
ethyl (41R,13aS)-13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
2-[(5-Methyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
[(1R,2S,5R,6R,9R,10R,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (Z)-but-2-enoate
6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
1-[3-(Benzenesulfonyl)-2-(1-piperidinyl)propyl]piperidine
3,5,7-trimethyl-N-[4-morpholinyl(sulfanylidene)methyl]-1-adamantanecarboxamide
N-cyclopentyl-2-(2,3-dihydroindol-1-yl)-2-(4-methoxyphenyl)acetamide
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)propanamide
C21H22N2O3 (350.16303419999997)
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
C21H22N2O3 (350.16303419999997)
2-methoxy-6-[4-(4-methyl-1-piperazinyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
N-butyl-4-[(Z)-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
C21H22N2O3 (350.16303419999997)
Isostrychnine N-oxide
C21H22N2O3 (350.16303419999997)
A monoterpenoid indole alkaloid with formula C21H22N2O3, originally isolated from the seeds of Strychnos nux-vomica.
2-[(6-Methyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
Nonanedioic acid monoglycoside
A dicarboxylic acid monoester resulting from the formal condensation of the carboxy group of nonanedioic acid with the hydroxy group of hexopyranose.
N-[(2S,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2S,5R,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2R,5R,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2S,5S,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
[(3aS,4R,9bS)-4-(hydroxymethyl)-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyrazin-2-ylmethanone
2-[(2R,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2R,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
N-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione
3-{2-[(1-Mesitylethyl)sulfanyl]-2-oxoethyl}-5-methylhexanoic acid
(9S,17R)-9-fluoro-6,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
(9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,11-trione
(4aR,5aR,8aS,13aS,15bR)-5a-hydroxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
C21H22N2O3 (350.16303419999997)
(2,6-Diacetyloxy-6-deuterio-3,4,5-trimethoxyhexyl) acetate
(2,5-Diacetyloxy-1-deuterio-3,4,6-trimethoxyhexyl) acetate
Trichothecene analogue
A natural product found in Trichothecium speciesMSX 51320.
3,17-dihydroxy-5,9-dioxo-4,5-9,10-diseco-androsta-1(10),2-dien-4-oic acid
ABT-046
ABT-046 is a potent, selective, and orally active acyl CoA:diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of both 8 nM against human and mouse DGAT-1[1].