Exact Mass: 222.0646924
Exact Mass Matches: 222.0646924
Found 259 metabolites which its exact mass value is equals to given mass value 222.0646924,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Flavone
Flavone is the simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. It has a role as a metabolite and a nematicide. Flavone is a natural product found in Grindelia hirsutula, Asphodeline damascena, and other organisms with data available. Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.
Isoflavone
Isoflavones are a class of phytochemicals related to the isoflavonoids. Isoflavones are produced almost exclusively by the members of the Fabaceae (i.e., Leguminosae, or bean) family. Soy isoflavones consumption has been related to a lower incidence of breast cancer and other common cancers. [Wikipedia]. Isoflavones is found in soy bean. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].
Acetamiprid
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 2327 CONFIDENCE standard compound; INTERNAL_ID 8448 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2986 Acetamiprid is a neonicotinoid insecticide used worldwide. Acetamiprid is a nicotinic acetylcholine receptor (nAChR) agonist, and is shown to be associated with neuromuscular and reproductive disorders[1][2].
L-Cystathionine
Cystathionine is a dipeptide formed by serine and homocysteine. Cystathioninuria is a prominent manifestation of vitamin-B6 deficiency. The transsulfuration of methionine yields homocysteine, which combines with serine to form cystathionine, the proximate precursor of cysteine through the enzymatic activity of cystathionase. In conditions in which cystathionine gamma-synthase or cystathionase is deficient, for example, there is cystathioninuria. Although cystathionine has not been detected in normal human serum or plasma by most conventional methods, gas chromatographic/mass spectrometric methodology detected a mean concentration of cystathionine in normal human serum of 140 nM, with a range of 65 to 301 nM. Cystathionine concentrations in CSF have been 10, 1, and 0.5 uM, and "not detected". Only traces (i.e., <1 uM) of cystathionine are present in normal CSF.587. Gamma-cystathionase deficiency (also known as Cystathioninuria), which is an autosomal recessive disorder (NIH: 2428), provided the first instance in which, in a human, the major biochemical abnormality due to a defined enzyme defect was clearly shown to be alleviated by administration of large doses of pyridoxine. The response in gamma-cystathionase-deficient patients is not attributable to correction of a preexisting deficiency of this vitamin (OMMBID, Chap. 88). Isolated from Phallus impudicus (common stinkhorn) CONFIDENCE standard compound; INTERNAL_ID 146 KEIO_ID C019; [MS2] KO008910 KEIO_ID C047 KEIO_ID C019 Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; ML_ID 30 L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2]. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2].
Phenindione
Phenindione is only found in individuals that have used or taken this drug. It is an indandione that has been used as an anticoagulant. Phenindione has actions similar to warfarin, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234)Phenindione inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants
Tectoquinone
CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2]. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2].
Butoxycarboxim
CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5083; ORIGINAL_PRECURSOR_SCAN_NO 5081 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370
Aldoxycarb
CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5200; ORIGINAL_PRECURSOR_SCAN_NO 5197 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370
Flavone
Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. -- Wikipedia. CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9396 Flavones (flavus = yellow), are a class of flavonoids based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones is found in many foods, some of which are dill, feijoa, pomegranate, and rosemary. CONFIDENCE standard compound; INTERNAL_ID 8089 Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.
anthracene-9-carboxylic acid
CONFIDENCE standard compound; INTERNAL_ID 8026
isoflavon
Isoflavone is a simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group. Isoflavone is a soy phytoestrogen and a biologically active component of several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa. Soybean is an exceptionally rich source of dietary isoflavones, where the average isoflavone content is 1-2 mg/gram. The main soy isoflavones are mostly present in glycosylated forms and include [DB01645], [DB13182], and glycitein, which accounts for approximately 50\\\\%, 40\\\\%, and 10\\\\%, respectively, of the total soybean isoflavone content. The clinical benefits of soy proteins have been studied and demonstrated for many years, with some evidence of soy products associated with a reduced incidences of coronary heart disease, atherosclerosis, type II diabetes mellitus, and breast and prostate cancer. While existing data are consistent or inadequate in supporting most of the suggested health benefits of consuming soy proteins and isoflavones, the trials investigating isoflavone as a potential treatment for atrophy, menopause, and postmenopausal symptoms are ongoing. Isoflavone is found as one of constituents in oral over-the-counter dietary supplements indicated for improved bone mass density and body fat regulation. Isoflavone is a natural product found in Astragalus mongholicus, Medicago sativa, and other organisms with data available. Isoflavone is a class of polyphenolic compounds derived from the Fabaceae family with potential phytoestrogenic, cholesterol-reducing, chemotherapeutic and antioxidant activity. In isoflavones the phenyl group on the benzopyran ring is in position 3 relative to the oxygen of the ring. Most isoflavones for human consumption and that are currently studied are derived from soy beans. 3-Phenylchromones. Isomeric form of FLAVONOIDS in which the benzene group is attached to the 3 position of the benzopyran ring instead of the 2 position. A simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].
Ethyl glucuronide
Ethyl glucuronide is a natural human metabolite of Ethanol generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Ethyl glucuronide is a general biomarker for the consumption of alcohol Ethyl glucuronide is a natural human metabolite of Ethanol generated in the liver by UDP glucuonyltransferase. Ethyl glucuronide is an endogenous metabolite.
Allocystathionine
Allocystathionine belongs to the class of organic compounds known as cysteines and cysteine derivatives. Cysteine and cysteine derivatives are compounds containing cysteine or a derivative thereof resulting from the reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Allocystathionine is a stereo-isomer of cystathionine. Both cystathionine and allocystathionine are modified amino acids generated by enzymic means from homocysteine and serine. Allocystathionine is a product of enzyme cystathionine synthetase (EC 2.5.1.48) which converts homocysteine into allocystathionine in the sulfur metabolism pathway. It is also the substrate of enzyme cystathionine beta-lyase (EC 4.4.1.8) in the same pathway (KEGG). Cystathionine and allocystathionine can be used by the enzymes cystathionine gamma-lyase (CTH), cysteine dioxygenase (CDO), and sulfinoalanine decarboxylase to produce hypotaurine and then taurine. Allocystathionine is a product of enzyme cystathionine synthetase [EC 2.5.1.48] which converts homocysteine to allocystathionine in the sulfur metabolism pathway. It is also the substrate of enzyme cystathionine beta-lyase [4.4.1.8] in the same pathway. (KEGG) [HMDB]
Cysteinyl-Threonine
Cysteinyl-Threonine is a dipeptide composed of cysteine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Threonylcysteine
Threonylcysteine is a dipeptide composed of threonine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
1-(1-Propenylthio)propyl propyl disulfide
1-(1-Propenylthio)propyl propyl disulfide is found in onion-family vegetables. 1-(1-Propenylthio)propyl propyl disulfide is a constituent of Allium fistulosum (Welsh onion). Constituent of Allium fistulosum (Welsh onion). 1-(1-Propenylthio)propyl propyl disulfide is found in onion-family vegetables.
(E)-1-Propenyl 1-(propylthio)propyl disulfide
(Z)-1-Propenyl 1-(propylthio)propyl disulfide is found in onion-family vegetables. (Z)-1-Propenyl 1-(propylthio)propyl disulfide is a constituent of Allium fistulosum (Welsh onion). Constituent of Allium fistulosum (Welsh onion). (E)-1-Propenyl 1-(propylthio)propyl disulfide is found in onion-family vegetables.
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane is a flavouring ingredient. Flavouring ingredient
2,4,6-Triethyl-1,3,5-trithiane
2,4,6-Triethyl-1,3,5-trithiane is a component of synthetic onion aroma obtained from propanal, H2S and NH3. Component of synthetic onion aroma obtained from propanal, H2S and NH3
Acetamiprid
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals Acetamiprid is a neonicotinoid insecticide used worldwide. Acetamiprid is a nicotinic acetylcholine receptor (nAChR) agonist, and is shown to be associated with neuromuscular and reproductive disorders[1][2].
Dioxidine
D009676 - Noxae > D009153 - Mutagens D000890 - Anti-Infective Agents
Cystathione
Cystathione, also known as dl-cystathionine, belongs to cysteine and derivatives class of compounds. Those are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cystathione is soluble (in water) and a moderately acidic compound (based on its pKa). Cystathione can be found in corn, which makes cystathione a potential biomarker for the consumption of this food product. Cystathione may be a unique E.coli metabolite.
8-Chloro-6-chloromethyl-2-methyl-2,6-octadien-1-ol
C10H16Cl2O (222.05781459999997)
(Z)-(-)-8-Chloro-6-chloromethyl-2-methyl-1,6-octadien-3-ol
C10H16Cl2O (222.05781459999997)
Isoflavone
Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].
Flavone
Annotation level-1 Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.
Ac-2,12-Tridecadiene-4,6,8,10-tetrayne-1-ol|Tridecadien-(1,11)-tetrain-(3,5,7,9)-ol-(13)-acetat
2,3-cis-4,5-trans-8,9-cis-5-Methylmercapto-decatrien-(2,4,8)-in-(6)-saeure-(1)-methylester|cis,cis,cis-4-Methylmercapto-decatrien-(2,4,8)-in-6-saeuremethylester|Me ester-(2Z,4Z,8Z)-5-Methylthio-2,4,8-decatrien-6-ynoic acid
2,3-Di-O-methyl-D-galacturonsaeure|O2,O3-dimethyl-D-galacturonic acid|O2,O3-Dimethyl-D-galacturonsaeure
1-Acetoxy-7-phenyl-heptatriin-(2,4,6)|1-Phenyl-heptatriin-(1,3,5)ol-(7)-acetat|7-Phenyl-heptatriin-(2,4,6)-ylacetat|7-phenylhepta-2,4,6-triynylacetate|Ac-7-Phenyl-2,4,6-heptatriyn-1-ol
2-Methylanthraquinone
2-methylanthraquinone is an anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. It is functionally related to a 9,10-anthraquinone. 2-Methylanthraquinone is a natural product found in Clausena heptaphylla, Ophiorrhiza pumila, and other organisms with data available. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2]. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2].
L-Cystathionine
A modified amino acid generated by enzymic means from L-homocysteine and L-serine. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2]. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2].
Cystathionine
A modified amino acid generated by enzymic means from homocysteine and serine. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2]. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2].
Aldicarb (sulfone)
phenindione
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants
Ethyl glucuronide
A beta-D-glucosiduronic acid that is the ethyl derivative of beta-D-glucuronic acid. Ethyl glucuronide is an endogenous metabolite.
(E)-1-Propenyl 1-(propylthio)propyl disulfide
5-(4-Fluorophenyl)-3-oxo-4-pentenoic acid methyl ester
C12H11FO3 (222.06921880000002)
2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone
2,2-DIMETHYL-7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
4-pyrrol-1-ylpyridine-2-carboximidamide,hydrochloride
3-methyl-1,6-naphthyridine-2-carboximidamide,hydrochloride
7-methyl-1,8-naphthyridine-2-carboximidamide,hydrochloride
(5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHANOL
C11H11ClN2O (222.05598659999998)
2-(1H-IMIDAZOL-2-YL)-1-PHENYLETHANONE HYDROCHLORIDE
C11H11ClN2O (222.05598659999998)
4-Methoxybenzenediazonium tetrafluoroborate
C7H7BF4N2O (222.05875299999997)
4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)-
Ethyl 1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylate
hexamethylcyclotrisiloxane
C6H18O3Si3 (222.05637180000002)
D001697 - Biomedical and Dental Materials
METHYL 3-METHYL-5-(5-METHYLISOXAZOL-3-YL)ISOXAZOLE-4-CARBOXYLATE
ETHYL 2-(ETHOXYMETHYLENE)-4,4-DIFLUORO-3-OXOBUTANOATE
C9H12F2O4 (222.07036159999998)
(5-tert-butyl-6H-1,3,4-thiadiazin-2-yl)hydrazine,hydrochloride
C7H15ClN4S (222.07058999999998)
6-amidino-2-naphthol, hydrochloride
C11H11ClN2O (222.05598659999998)
1-(2,4-DIFLUOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
C11H8F2N2O (222.06046619999998)
6-BROMO-INDAN-1-YLAMINEHYDROCHLORIDE
C11H11ClN2O (222.05598659999998)
Ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
2,2-DIMETHYL-6-NITRO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-ONE
3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one
C11H11ClN2O (222.05598659999998)
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
Zaltidine
Zaltidine(CP-57361) is a H2-receptor antagonist, which has the antisecretory action. IC50 Value: Target: H2 receptor in vitro: in vivo: In eight healthy male volunteers single oral doses of 5 mg, 25 mg and 100 mg produced dose-related inhibition of basal and pentagastrin-stimulated acid output (M.A.O.) with an estimated ID50 of 40 mg for the latter. In eight subjects with duodenal ulceration single 100 mg and 200 mg doses produced 85\% and 97\% inhibition of M.A.O. at peak (3 h post-dose) and 20\% and 23\% inhibition at 24 h, respectively; inhibition of basal acid output was 97\% at 3 h and 50\% at 24 h with both doses [1]. One hundred and thirty-five patients were randomly allocated to 4 weeks' treatment with either 150 mg zaltidine once daily or placebo. Fifty-nine were treated for a full 4 weeks with zaltidine before the trial was stopped. Healing rates after 4 weeks of zaltidine and placebo were 86\% and 19\%, respectively (p less than 0.001) [2].
1-(2-Methoxyethyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
3-(4-Chlorophenyl)-5-propyl-1,2,4-oxadiazole
C11H11ClN2O (222.05598659999998)
(1-(4-Chlorobenzyl)-1H-imidazol-2-yl)methanol
C11H11ClN2O (222.05598659999998)
2-ALLYL-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3(2H)-ONE
2-(4-ACETAMINO-3-CHLOROPHENYL)PROPIONITRILE
C11H11ClN2O (222.05598659999998)
2,2-DIMETHYL-6-NITRO-2H-BENZO[E][1,3]OXAZIN-4(3H)-ONE
4-Chloro-N-(4-cyanophenyl)butanamide
C11H11ClN2O (222.05598659999998)
4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
4-amino-5-(2-methoxyphenyl)-2H-1,2,4-triazole-3-thione
METHYL 2-{[(2E)-2-(HYDROXYIMINO)ETHANOYL]AMINO}BENZOATE
(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide methanesulfonate
(5aS,10aS)-1H,5H-Dihydro-dipyrrolo[1,2-a:1,2-d]pyrazine-3,5,8,10(2H,5aH,10aH)-tetrone
[1-(4-Methylpyridin-2-yl)propyl]amine dihydrochloride
4-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-butanone
C11H11ClN2O (222.05598659999998)
4-(4-chlorophenoxy)-3,5-dimethyl-1h-pyrazole
C11H11ClN2O (222.05598659999998)
1-(7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ETHENOL
Methyl 5-chloro-5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
(4-chloro-3-(o-tolyl)-1H-pyrazol-5-yl)Methanol
C11H11ClN2O (222.05598659999998)
5-(3-Chloropropyl)-3-phenyl-1,2,4-oxadiazole
C11H11ClN2O (222.05598659999998)
4-(3-FURAN-2-YL-[1,2,4]OXADIAZOL-5-YL)-BUTYRIC ACID
2,2-DIMETHYL-7-NITRO-2H-BENZO[E][1,3]OXAZIN-4(3H)-ONE
3-amino-2-(2,4-difluorophenoxy)pyridine
C11H8F2N2O (222.06046619999998)
1-(5-chloro-2,6-dimethyl-1,8-naphthyridin-7-yl)hydrazine
3-[(mesyloxy)methyl]-5,5-dimethyldihydro-2(3H)-furanone
Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester
C11H14O3Si (222.07121740000002)
Tectochinon
Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2]. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2].
Flavon
Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.
isoflavon
Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].
(2R)-2-azaniumyl-4-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}butanoate
(2S)-2-azaniumyl-4-[(2S)-2-azaniumyl-2-carboxylatoethyl]sulfanylbutanoate
Benzaldehyde-4-carboxylic acid trimethylsilyl ester
C11H14O3Si (222.07121740000002)
Flavone
Flavone is the simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. It has a role as a metabolite and a nematicide. Flavone is a natural product found in Grindelia hirsutula, Asphodeline damascena, and other organisms with data available. Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. -- Wikipedia. Flavones (flavus = yellow), are a class of flavonoids based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones is found in many foods, some of which are dill, feijoa, pomegranate, and rosemary. The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.
L-cystathionine dizwitterion
Dizwitterionic form of L-cystathionine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.
4-phenylcoumarin
The simplest member of the class of neoflavones that is coumarin substituted by a phenyl group at position 4.
GPCR agonist-2
GPCR agonist-2 (Compound 5j) is a GPCR GPR109b (HM74) agonist, with a pEC50 value of 6.51. GPCR agonist-2 can be used for research of lipid disorders[1].
(3'r)-5'-hydroxy-5-(hydroxymethyl)-2'-oxo-3',4'-dihydro-[1,3'-bipyrrole]-2-carbaldehyde
(3r,6z)-8-chloro-6-(chloromethyl)-2-methylocta-1,6-dien-3-ol
C10H16Cl2O (222.05781459999997)
1-propenyl 1-(propylthio)propyl disulfide,9ci; (z)-form
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2-phenylethyl (2e)-3-(methylsulfanyl)prop-2-enoate
methyl (2z,4e,6z)-5-(methylsulfanyl)deca-2,4,6-trien-8-ynoate
(2r)-2-amino-3-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid
(1r,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl acetate
2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid
(2e)-trideca-2,12-dien-4,6,8,10-tetrayn-1-yl acetate
2-[2-(1-carboxyethylidene)hydrazin-1-yl]benzoic acid
(2s)-2-hydroxy-2-[3-(methylsulfanyl)propyl]butanedioic acid
8-chloro-6-(chloromethyl)-2-methylocta-1,6-dien-3-ol
C10H16Cl2O (222.05781459999997)
(2e,6z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dien-1-ol
C10H16Cl2O (222.05781459999997)
[(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl acetate
5'-hydroxy-5-(hydroxymethyl)-2'-oxo-3',4'-dihydro-[1,3'-bipyrrole]-2-carbaldehyde
methyl (4e)-5-(methylsulfanyl)deca-2,4,6-trien-8-ynoate
8-chloro-6-(chloromethyl)-2-methylocta-2,6-dien-1-ol
C10H16Cl2O (222.05781459999997)