Exact Mass: 340.0359
Exact Mass Matches: 340.0359
Found 343 metabolites which its exact mass value is equals to given mass value 340.0359,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aesculin
Esculin is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It is functionally related to an esculetin. Esculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P esculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum). Esculin belongs to the family of Glycosyl Compounds. These are carbohydrate derivatives in which a sugar group is bonded through its anmoeric carbonA to another group via a C-, S-,N-,O-, or Se- glycosidic bond. Esculin is a natural product found in Ficus septica, Gardenia jasminoides, and other organisms with data available. A derivative of COUMARIN with molecular formula C15H16O9. See also: Horse Chestnut (part of); Aesculus hippocastanum bark (part of). Aesculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P Aesculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum) Vitamin C2 is generally considered a bioflavanoid, related to vitamin P A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. Acquisition and generation of the data is financially supported in part by CREST/JST. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
Daphnin
Daphnin is a beta-D-glucoside. It is functionally related to a 7,8-dihydroxycoumarin. Daphnin is a natural product found in Stellera chamaejasme, Daphne gnidium, and other organisms with data available. Daphnin is one of the major coumarin bioactive components with antibacterial activity. Daphnin is isolated from the whole herb of Daphne odora (Thunb.), which is a folk medicine in China for the relief of fever[1][2].
Cichoriin
Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Isolated from chicory (Cichorium intybus). Cichoriin is found in chicory and green vegetables. Cichoriin is found in chicory. Cichoriin is isolated from chicory (Cichorium intybus Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].
D-myo-Inositol 1,4-bisphosphate
D-myo-Inositol 1,4-bisphosphate belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-Inositol 1,4-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-myo-Inositol 1,4-bisphosphate is a substrate for several proteins including inositol polyphosphate 1-phosphatase, phosphatidylinositol 4,5-bisphosphate 5-phosphatase A, skeletal muscle and kidney enriched inositol phosphatase, and type I inositol-1,4,5-trisphosphate 5-phosphatase. 1D-Myo-inositol 1,4-bisphosphate is a substrate for Inositol polyphosphate 1-phosphatase, Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A, Skeletal muscle and kidney enriched inositol phosphatase and Type I inositol-1,4,5-trisphosphate 5-phosphatase. [HMDB]
alpha-D-Glucose 1,6-bisphosphate
Glucose 1,6-diphosphate (G-1,6-P2) is considered to be a major regulator of carbohydrate metabolism. It has been demonstrated that G-1,6-P2 is a potent activator (deinhibitor) of skeletal muscle phosphofructokinase (PFK) and phosphoglucomutase, while being an inhibitor of hexokinase (see Ref. 2). In addition, G-1,6-P2 has been shown to inhibit 6-phosphogluconate dehydrogenase in various rat tissues and fructose 1,6-bisphosphatase in bovine liver. Various factors and conditions affect the tissue content of G-1,6-P2. Specifically, anoxia induces a rapid fall in the content of G-l,6-P2 in the brain. Glucose 1,6-diphosphate has been recognized as a regulatory signal implicated in the control of metabolism, oxygen affinity of red cells, and other cellular functions. The levels of G 1,6-P2 are reduced in the liver and in the muscle of rats with experimentally induced diabetes. In muscle of genetically dystrophic mice, a decrease in the levels of G 1,6-P2 has been found, probably resulting from enhancement of glucose 1,6-P2 phosphatase activity. G 1,6-P2 is an inhibitor of hexokinase and its level is increased significantly after 5 min of exercise (~25\\%) and then decreased continuously. G 1,6-P2 is a potent allosteric activator of phosphofructokinase, and is markedly decreased in muscles of patients with glycogenosis type VII (muscle phosphofructokinase deficiency) and type V (muscle phosphorylase deficiency). Chronic alcohol intake produces an increase in the concentration of G 1,6-P2 in human muscle before the first sign of myopathy appears. When myopathy is present the level decreases to be similar to healthy humans. These changes could contribute to the decline in skeletal muscle performance (PMID:1449560, 2018547, 2003594, 3407759). Glucose 1,6-diphosphate is considered to be a major regulator of carbohydrate metabolism. It has been demonstrated that G-1,6-P2 is a potent activator (deinhibitor) of skeletal muscle phosphofructokinase (PFK) and phosphoglucomutase, while being an inhibitor of hexokinase (see Ref. 2). In addition, G-1,6 P2 has been shown to inhibit 6-phosphogluconate dehydrogenase in various rat tissues and fructose 1,6-bisphosphatase in bovine liver. Various factors and conditions affect the tissue content of G-1,6-P2. Specifically, anoxia induce a rapid fall in the content of G-l,6-P2 in brain. Glucose 1,6-diphosphate (G 1,6-P2 )have been recognized as a regulatory signal implicated in the control of metabolism, oxygen affinity of red cells and other cellular functions. The levels of G 1,6-P2 are reduced in the liver and in the muscle of rats with experimentally induced diabetes. In muscle of genetically dystrophic mice a decrease in the levels of G 1,6-P2 has been found, probably resulting from enhancement of glucose 1,6-P2 phosphatase activity. G 1,6-P2 is an inhibitor of hexokinase and its level is increased significantly after 5 min of exercise (~ 25\\%) and then decreased continuously. G 1,6-P2 is a potent allosteric activator of phosphofructokinase, and is markedly decreased in muscles of patients with glycogenosis type VII (muscle phosphofructokinase deficiency) and type V (muscle phosphorylase deficiency). Acquisition and generation of the data is financially supported in part by CREST/JST.
Fructose 1,6-bisphosphate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C - Cardiovascular system > C01 - Cardiac therapy D007155 - Immunologic Factors D020011 - Protective Agents KEIO_ID F008
Bis(4-nitrophenyl) hydrogen phosphate
D004791 - Enzyme Inhibitors KEIO_ID B069
D-Fructose 2,6-bisphosphate
D-Fructose 2,6-bisphosphate (CAS: 77164-51-3), also known as phosphofructokinase activator, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. D-Fructose 2,6-bisphosphate is a regulatory molecule controlling the activity of the enzyme phosphofructokinase-1 or PFK1 (in mammals). PFK1, in turn, is the key regulatory enzyme in the central metabolic pathway glycolysis. D-Fructose 2,6-bisphosphate has the effect of increasing the activity of PFK1, thus increasing the rate at which the principle food molecule glucose is broken down. At the same time, this regulatory molecule also inhibits the opposing enzyme (FBPase1) in the reverse pathway (gluconeogenesis) so that the synthesis of glucose is not taking place in the same cell where glucose is being broken down (which would be wasteful). D-Fructose 2,6-bisphosphate is a regulatory molecule controlling the activity of the enzyme Phosphofructokinase-1 or PFK1 (in mammals). PFK1, in turn, is the key regulatory enzyme in the central metabolic pathway Glycolysis. D-Fructose 2,6-bisphosphate has the effect of increasing the activity of PFK1, thus increasing the rate at which the principle food molecule glucose is broken down. At the same time, this regulatory molecule also inhibits the opposing enzyme (FBPase1) in the reverse pathway (gluconeogenesis) so that the synthesis of glucose is not taking place in the same cell where glucose is being broken down (which would be wasteful) . [HMDB] KEIO_ID F010
Sinapoyl malate
Annotation level-2 Acquisition and generation of the data is financially supported in part by CREST/JST.
D-myo-Inositol 1,3-bisphosphate
D-myo-Inositol 1,3-bisphosphate, also known as inositol 1,3-diphosphate, belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-Inositol 1,3-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-myo-Inositol 1,3-bisphosphate can be biosynthesized from inositol 1,3,4-trisphosphate through the action of the enzyme type II inositol 3,4-bisphosphate 4-phosphatase. The enzyme phosphatidylinositol 3-kinase (EC 2.7.1.137) catalyzes the production of this metabolite from 1-phosphatidyl-D-myo-inositol. D-myo-Inositol 1,3-bisphosphate is an intermediate in inositol phosphate metabolism. 1D-Myo-inositol 1,3-bisphosphate is an intermediate in inositol phosphate metabolism. The enzyme phosphatidylinositol 3-kinase [EC:2.7.1.137] catalyzes the production of this metabolite from 1-Phosphatidyl-D-myo-inositol. [HMDB]
D-myo-Inositol 3,4-bisphosphate
D-myo-Inositol 3,4-bisphosphate belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-Inositol 3,4-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). In humans, D-myo-inositol 3,4-bisphosphate participates in a number of enzymatic reactions. In particular, D-myo-inositol 3,4-bisphosphate can be biosynthesized from inositol 1,3,4-trisphosphate through the action of the enzyme inositol polyphosphate 1-phosphatase. D-myo-Inositol 3,4-bisphosphate is an intermediate in inositol phosphate metabolism. D-myo-Inositol 3,4-bisphosphate is converted from D-myo-inositol-3-phosphate via inositol polyphosphate-4-phosphatase (EC 3.1.3.66). 1D-myo-Inositol 3,4-bisphosphate is an intermediate in inositol phosphate metabolism. 1D-myo-Inositol 3,4-bisphosphate is converted from 1D-myo-inositol-3-phosphate via inositol polyphosphate-4-phosphatase [EC:3.1.3.66]. [HMDB]
Asparenomycin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate is fructose sugar or fructosephosphate that has been phosphorylated on carbons 1 and 6. The beta-D-form of this compound is very common in cells. The vast majority of glucose and fructose entering a cell is converted to fructose 1,6-bisphosphate at some point. Fructose 1,6-bisphosphate is a key component in the glycolysis metabolic pathway and is produced by phosphorylation of fructose 6-phosphate The enzyme phosphofructokinase uses ATP to transfer a phosphate group to fructose 6-phosphate to form fructose 1, 6-bisphosphate fructose. The enzyme aldolase splits fructose 1,6-bisphosphate into two sugars that are isomers of each other. These two sugars are dihydroxyacetone phosphate and glyceraldehyde phosphate. Fructose 1,6-bisphosphate is an allosteric activator of pyruvate kinase. The hydrolysis of fructose 1,6-bisphosphate is catalized by Fructose-1,6-bisphosphatase (fru-1,6-P2ase, EC 3.1.3.11) to fructose 6-phosphate and inorganic phosphate and provides a mechanism to permit the reversal of the glycolysis reaction (catalyzed by 6-phosphofructo-1-kinase).(OMIM) [HMDB]. D-Fructose 1,6-bisphosphate is found in many foods, some of which are garden cress, cascade huckleberry, wild celery, and devilfish. D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C - Cardiovascular system > C01 - Cardiac therapy D007155 - Immunologic Factors D020011 - Protective Agents
D-Tagatose 1,6-bisphosphate
D-Tagatose 1,6-bisphosphate is an intermediate in galactose metabolism. [HMDB] D-Tagatose 1,6-bisphosphate is an intermediate in galactose metabolism.
6-{2-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Grevilline B
Grevilline B is found in mushrooms. Grevilline B is a pigment from Suillus grevillei (larch bolete) Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. Pigment from Suillus grevillei (larch bolete)
Salvianolic acid D
Salvianolic acid D is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
D-Mannose 1,6-bisphosphate
This compound belongs to the family of Hexose Phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.
Sulforaphane-N-acetylcysteine
Sulforaphane-N-acetylcysteine (SFN-NAC) is a metabolite of sulforophane which is a metabolite of glucoraphanin which is found in cauliflower and broccoli sprouts (PMID: 16166336; PMID: 21372038). It is excreted in urine. Glucoraphanin is a glucosinolate compound that is converted in the gut to sulforaphane, an isothiocyanate, by the action of myrosinase enzymes from the plants (PMID: 21372038). Sulforaphane blocks the initiation stage in carcinogenesis by inhibiting enzymes that convert procarcinogens to carcinogens and by inducing phase 2 enzymes that detoxify carcinogens and facilitate their excretion from the body.
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3-hydroxyphenyl)prop-2-enoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
O-Coumaric acid glucuronide
p-Coumaric acid glucuronide
Sulforaphane-N-acetyl-cysteine
1,6-Di-O-phosphono-D-fructose
Fructose-1,6-diphosphate
Aflatoxin B1 aldehyde
[(2R,3R)-2,3,5-Trihydroxy-4-oxo-6-phosphonooxyhexyl] dihydrogen phosphate
Daphnetin glucoside
Daphnetin glucoside is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Daphnetin glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Daphnetin glucoside can be found in coriander, which makes daphnetin glucoside a potential biomarker for the consumption of this food product.
Thujan-3-ol
Pulcherrimin
N-{[(4-Chloroanilino)carbonyl]oxy}-5-nitrothiophene-3-carboximidamide
5,7-dichloro-1,6-dihydroxy-3-methoxy-8-methyl-9H-xanthen-9-one|5,7-dichloro-3-O-methylnorlichexanthone
Benzene-1,2,3,5-tetracarboxylic acid, 4-methoxy, tetramethyl ester
5-hydroxy-8-O-beta-D-glucopyranosyl-2H-1-benzopyran-2-one
5,7-dihydroxychromone 7-beta-D-glucoside|5,7-dihydroxychromone 7-O-beta-D-glucopyranoside|5,7-dihydroxychromone-7-O-beta-D-glucopyranoside|5-hydroxychromone-7-O-glucoside
2,4-di-(3,4-methylenedioxyphenyloxy)-furan; premnalatin|Premnalatin
5,7-dihydroxucoumarin-7-O-beta-D-glucopyranoside|5,7-dihydroxycoumarin 7-O-beta-D-glucopyranoside
1-(ethoxycarbonyl)-5-hydroxyanthraquinone-3-carboxylic acid|4-(ethoxycarbonyl)-9,10-dihydro-8-hydroxy-9,10-dioxoanthracene-2-carboxylic acid|juglanthraquinone A
Esculin
Origin: Plant; Formula(Parent): C15H16O9; Bottle Name:Esculin sesquihydrate; PRIME Parent Name:6,7-Dihydroxycoumarin-6-glucoside; PRIME in-house No.:V0125, Coumarins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.391 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.385 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.384 Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
Atromentic acid|Atromentsaeure|[3-hydroxy-4-(4-hydroxy-phenyl)-5-oxo-5H-furan-2-ylidene]-(4-hydroxy-phenyl)-acetic acid
2,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone-3-Me ether
2-Methyl-2-(4-hydroxy-4-methylpentyl)-7-bromo-2H-1-benzopyran-6-ol
2,5-Dihydroxy-3-(3,4,5-trihydroxyphenyl)-6-phenyl-1,4-benzoquinone
5,7-Dihydroxycoumarin 7-O-β-D-glucopyranoside
5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one is a natural product found in Morus alba var. multicaulis, Morus alba, and Morus nigra with data available.
Harden-Young ester
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C - Cardiovascular system > C01 - Cardiac therapy D007155 - Immunologic Factors D020011 - Protective Agents The furanose form of D-fructose 1,6-bisphosphate. A D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position.
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
7-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000847487]
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]
Salvianolic acid D
Versicolorin B
An organic heteropentacyclic compound that is 2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8.
Ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate
1-[2-(4-nitrophenyl)ethyl]-1-azoniabicyclo[2.2.2]octane,bromide
tert-Butyl 2-(3-bromophenyl)piperazine-1-carboxylate
dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)chlorosilane
2-(Trifluoromethyl)-1,3-bis-(dimethylamino)-trimethinium hexafluorophosphate
[4-(4-CHLORO-BENZYL)-PIPERAZIN-1-YL]-ACETIC ACID DIHYDROCHLORIDE
3,3-dimethyl-7-oxo-6-(2-(thiophen-3-yl)acetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
tert-butyl 3-bromo-5-nitro-1H-indole-1-carboxylate
2-(6-bromoquinolin-4-yl)-1-(6-methylpyridin-2-yl)ethanone
3-(2-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(4-(3-Bromopropoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
2-ETHOXY-5-(PYRIDINE-2-CABOXAMIDO) BENZENE-1-SULFONYL CHLORIDE
Melphalan hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
3-(3-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-BROMO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Ethyl 6,7-dichloro-3-(trifluoromethyl)-1,4-dihydroquinoxaline-2-carboxylate
3-Bromo-5-(methoxycarbonyl)benzeneboronic acid pinacol ester
2-(7-bromoquinolin-4-yl)-1-(6-methylpyridin-2-yl)ethanone
Minodronic acid monohydrate
D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Propanoic acid,2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, sodium salt (1:1)
4-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline
2-(3-Bromo-5-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
ethyl 4-(5-bromo-2-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
6-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
1H-PYRROLO[2,3-B]PYRIDINE, 1-[(4-METHYLPHENYL)SULFONYL]-5-(TRIFLUOROMETHYL)-
N-[(2-chlorophenyl)carbamoyl]-3-hydroxynaphthalene-2-carboxamide
2-ETHOXY-5-[(PYRIDINE-3-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
tert-Butyl 4-(2-bromophenyl)piperazine-1-carboxylate
tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate
5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carbohydrazide
3-(3-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
9,10-Dimethoxyanthracene-2-Sulfonic Acid Sodium Salt
S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate
2-(3-Bromo-5-propoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,6-Di-O-phosphono-D-fructose
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D007155 - Immunologic Factors D020011 - Protective Agents
D,L-Sulforaphane N-Acetyl-L-cysteine
4-[(E)-2-Carboxyethenyl]phenyl beta-D-glucopyranosiduronic acid
3-chloro-6-methoxy-2,4-dimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
7-Chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-hydroxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Escosyl
Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
20853-56-9
Cichoriin
Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].
Methyl N-(4-methoxyphenyl)-[3-(trifluoromethyl)anilino]methanimidothioate
2-Chloro-6-(2-furyl)-9-[(4-methoxyphenyl)methyl]purine
7-hydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
p-Hydroxymercuribenzoate
D010575 - Pesticides > D005659 - Fungicides, Industrial > D010663 - Phenylmercury Compounds D004791 - Enzyme Inhibitors > D006902 - Hydroxymercuribenzoates D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D004791 - Enzyme Inhibitors > D008626 - Mercuribenzoates
(4S,8R)-2,13,18,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,13,17,19-heptaen-16-one
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
(3S,4S,5S,6S)-6-fluoro-4-hydroxy-3-[hydroxy(methyl)phosphoryl]oxy-5-(2-hydroxyprop-2-enoyloxy)cyclohexene-1-carboxylic acid
(3S,4S,5S,6R)-6-fluoro-4-hydroxy-3-[hydroxy(methyl)phosphoryl]oxy-5-(2-hydroxyprop-2-enoyloxy)cyclohexene-1-carboxylic acid
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
6-(3,4-Dihydroxybenzylidene)-3-hydroxy-4-(4-hydroxyphenyl)(2H)pyran-2,5(6H)-dione
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[4-[(Z)-2-carboxyethenyl]-2,6-dimethoxyphenoxy]-3-hydroxy-4-oxobutanoic acid
Fructose-1,6-diphosphate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C - Cardiovascular system > C01 - Cardiac therapy D007155 - Immunologic Factors D020011 - Protective Agents
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
7-hydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one
3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
1,3-Benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester
1H-indazole-3-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester
5,6-Dihydroxy-2-deoxyuridine 5-monophosphate
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having 5,6-dihydroxyuracil as the nucleobase.
methyl 2-[((E)-2-{[(ethoxycarbonyl)amino]carbonyl}-3-oxo-1-butenyl)amino]-3-thiophenecarboxylate
5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
ethyl N-[(E)-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]carbamate
2-nitro-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
(3S)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester
6-[2-(3-Ormyloxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate
Fructose-2,6-diphosphate
A D-fructofuranose 2,6-bisphosphate with a beta-configuration at the anomeric centre.
D-Tagatofuranose 1,6-bisphosphate
The furanose form of D-tagatose 1,6-bisphosphate.
(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid
N-Acetyl-S-{[4-(methanesulfinyl)butyl]carbamothioyl}-D-cysteine
alpha-D-fructofuranose 1,6-bisphosphate
A D-fructofuranose 1,6-bisphosphate with an alpha-configuration at the anomeric position.
2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid
keto-D-fructose 1,6-bisphosphate
A ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6.
CP-809101 (hydrochloride)
CP-809101 hydrochloride is a potent and highly selective 5-HT2C receptor agonist, with pEC50s of 9.96, 7.19 and 6.81 M for human 5HT2C, 5HT2B and 5HT2A receptor. CP-809101 hydrochloride inhibits conditioned avoidance responding in rats and antagonizes both PCP (phencyclidine hydrochloride)- and d-amphetamine-induced hyperactivity. CP-809101 hydrochloride also reduces food and nicotine dependence in rats, can be used in studies of antipsychotic and nicotine dependence[1][2].
MNI137
MNI137 is a potent and selective negative allosteric modulator for group II mGluRs. MNI137 has IC50s values of 8.3 and 12.6 nM for human and rat mGlu2 inhibition of glutamate-induced calcium mobilization[1].
SBI-115
SBI-115 is a TGR5 (GPCR19) antagonist. SBI-115 decreases hepatic cystogenesis with polycystic liver diseases via inhibiting TGR5[1].
2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-hydroxyethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,9r,10s,14s)-3-bromo-12,14-dihydroxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one
5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
7-hydroxy-8-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
2,4-dichloro-3,8-dihydroxy-6-methoxy-1-methylxanthen-9-one
7-(2h-1,3-benzodioxol-5-yl)-4-methoxy-2h-[1,3]dioxolo[4,5-f]chromen-9-one
[(1s,2s,3r,4r,5s,6s)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxyphosphonic acid
7-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(2s)-7-bromo-2-(4-hydroxy-4-methylpentyl)-2-methylchromen-6-ol
2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (ξ)-form,1'-o-(4-hydroxy-3-methoxy-e-cinnamoyl)
{"Ingredient_id": "HBIN005726","Ingredient_name": "2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (\u03be)-form,1'-o-(4-hydroxy-3-methoxy-e-cinnamoyl)","Alias": "NA","Ingredient_formula": "C15H16O9","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8627","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7-trihydroxy-4h-1-benzopyran-4-one,9ci; 3-o-alpha-l-rhamnopyranoside
{"Ingredient_id": "HBIN007582","Ingredient_name": "3,5,7-trihydroxy-4h-1-benzopyran-4-one,9ci; 3-o-alpha-l-rhamnopyranoside","Alias": "NA","Ingredient_formula": "C15H16O9","Ingredient_Smile": "NA","Ingredient_weight": "340.28","OB_score": "NA","CAS_id": "72021-22-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8262","PubChem_id": "NA","DrugBank_id": "NA"}
