Exact Mass: 358.0599406
Exact Mass Matches: 358.0599406
Found 445 metabolites which its exact mass value is equals to given mass value 358.0599406,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chrysoobtusin
Chryso-obtusin is a monohydroxyanthraquinone. Chrysoobtusin is a natural product found in Senna obtusifolia and Senna tora with data available. Isolated from seeds of Cassia tora (charota). Chrysoobtusin is found in coffee and coffee products, herbs and spices, and pulses. Chrysoobtusin is found in coffee and coffee products. Chrysoobtusin is isolated from seeds of Cassia tora (charota). Chrysoobtusin is an anthraquinone derivative isolated from Semen Cassiae. Semen Cassiae has long been used to protect liver, brighten eyes, and relieve constipation[1][2]. Chrysoobtusin is an anthraquinone derivative isolated from Semen Cassiae. Semen Cassiae has long been used to protect liver, brighten eyes, and relieve constipation[1][2].
Etoricoxib
Etoricoxib is a new COX-2 selective inhibitor. Current therapeutic indications are: treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout. Like any other COX-2 selective inhibitor, Etoricoxib selectively inhibits isoform 2 of cyclo-oxigenase enzyme (COX-2). This reduces the generation of prostaglandins (PGs) from arachidonic acid. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents
Triflumuron
CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5237; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5229; ORIGINAL_PRECURSOR_SCAN_NO 5227 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5230; ORIGINAL_PRECURSOR_SCAN_NO 5226 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5242; ORIGINAL_PRECURSOR_SCAN_NO 5241 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5203; ORIGINAL_PRECURSOR_SCAN_NO 5199 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5232; ORIGINAL_PRECURSOR_SCAN_NO 5230 D010575 - Pesticides > D002629 - Chemosterilants D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Pantetheine 4'-phosphate
C11H23N2O7PS (358.09635380000003)
Pantetheine 4-phosphate, or 4-phosphopantetheine, is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from Pantatheine (via pantothenate kinase 1) or R-4-Phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or Dephospho-CoA (via 4-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). In most mammals, coenzyme A can be hydrolyzed to pantetheine and pantothenate in the intestinal lumen via the following series of reactions: coenzyme A leads to phosphopantetheine leads to pantetheine leads to pantothenate. The conversion of 4-phosphopantetheine (4-PP) to dephospho-CoA, is catalyzed by 4-phosphopantetheine adenylyl-transferase. In mammalian systems, this step may occur in the mitochondria or in the cytosol. (PMID: 1746161) It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites. 4-phosphopantetheine is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from Pantatheine (via pantothenate kinase 1) or R-4-Phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or Dephospho-CoA (via 4-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). In most mammals, coenzyme A can be hydrolyzed to pantetheine and pantothenate in the intestinal lumen via the following series of reactions: coenzyme A leads to phosphopantetheine leads to pantetheine leads to pantothenate. The conversion of 4-phosphopantetheine (4-PP) to dephospho-CoA, is catalyzed by 4-phosphopantetheine adenylyl-transferase. In mammalian systems, this step may occur in the mitochondria or in the cytosol. (PMID: 1746161) It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites. [HMDB]
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole
C14H19N2O7P (358.09298340000004)
N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole (or alpha-ribazole-5-Phosphate) is an intermediate in Riboflavin metabolism. In particular, alpha-Ribazole 5-phosphate is converted from Dimethylbenzimidazole via the enzyme nicotinate-nucleotide-dimethylbenzimidazole. phosphoribosyltransferase (EC 2.4.2.21). It is then converted to alpha-Ribazole via the enzyme (EC 3.1.3.-). N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole (or alpha-ribazole-5-Phosphate) is an intermediate in Riboflavin metabolism. In particular, alpha-Ribazole 5-phosphate is converted from Dimethylbenzimidazole via the enzyme nicotinate-nucleotide-dimethylbenzimidazole
SC-1271
C18H15ClN2O4 (358.07203000000004)
Gardenin B
Gardenin b, also known as demethyltangeretin or 5-hydroxy-4,6,7,8-tetramethoxyflavone, is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, gardenin b is considered to be a flavonoid lipid molecule. Gardenin b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gardenin b can be found in mandarin orange (clementine, tangerine), peppermint, sweet basil, and winter savory, which makes gardenin b a potential biomarker for the consumption of these food products. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
versiconal hemiacetal
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-hydroxyethyl group. An intermediate in the biosynthesis of aflatoxin.
1'-hydroxytriazolam
1-hydroxytriazolam is a metabolite of triazolam. Triazolam (marketed in English-speaking countries under the brand names Apo-Triazo, Halcion, Hypam, and Trilam) is a benzodiazepine drug. It possesses pharmacological properties similar to that of other benzodiazepines, but it is generally only used as a sedative to treat severe insomnia. In addition to the hypnotic properties triazolam possesses, amnesic, anxiolytic, sedative, anticonvulsant and muscle relaxant properties are also present. (Wikipedia)
7-Hydroxy-3',4',5,6-tetramethoxyflavone
7-Hydroxy-3,4,5,6-tetramethoxyflavone is found in citrus. 7-Hydroxy-3,4,5,6-tetramethoxyflavone is isolated from Citrus reticulata (manadarin orange). Isolated from Citrus reticulata (manadarin orange). 7-Hydroxy-3,4,5,6-tetramethoxyflavone is found in citrus.
5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone
5,4-Dihydroxy-3,3-dimethoxy-6:7-methylenedioxyflavone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
2-Galloyl-1,4-galactarolactone methyl ester
2-Galloyl-1,4-galactarolactone methyl ester is found in fruits. 2-Galloyl-1,4-galactarolactone methyl ester is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 2-Galloyl-1,4-galactarolactone methyl ester is found in fruits.
4'-Hydroxy-5,6,7,8-tetramethoxyflavone
4-Hydroxy-5,6,7,8-tetramethoxyflavone is found in citrus. 4-Hydroxy-5,6,7,8-tetramethoxyflavone is a constituent of mandarin orange (Citrus reticulata). Constituent of mandarin orange (Citrus reticulata). 4-Hydroxy-5,6,7,8-tetramethoxyflavone is found in citrus.
12alpha-Hydroxymunduserone
12alpha-Hydroxymunduserone is found in jicama. 12alpha-Hydroxymunduserone is a constituent of Pachyrrhizus erosus (yam bean) Constituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxymunduserone is found in jicama and pulses.
5-Methoxy-galloyl-1,4-galactarolactone
5-Methoxy-galloyl-1,4-galactarolactone is found in fruits. 5-Methoxy-galloyl-1,4-galactarolactone is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 5-Methoxy-galloyl-1,4-galactarolactone is found in fruits.
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is found in herbs and spices. 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is from Muscari comosum (tassel hyacinth). From Muscari comosum (tassel hyacinth). 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is found in herbs and spices.
3'-Hydroxy-4',5',7,8-tetramethoxyflavone
3-Hydroxy-4,5,7,8-tetramethoxyflavone is found in fruits. 3-Hydroxy-4,5,7,8-tetramethoxyflavone is a constituent of the roots of Muntingia calabura (Jamaican cherry). Constituent of the roots of Muntingia calabura (Jamaican cherry). 3-Hydroxy-4,5,7,8-tetramethoxyflavone is found in fruits.
5-Hydroxy-3',4',7,8-tetramethoxyflavone
5-Hydroxy-3,4,7,8-tetramethoxyflavone is found in herbs and spices. 5-Hydroxy-3,4,7,8-tetramethoxyflavone is a constituent of bergamot oil. Constituent of bergamot oil. 5-Hydroxy-3,4,7,8-tetramethoxyflavone is found in herbs and spices.
Aflatoxin ExB2
Aflatoxin ExB2 is a metabolite of Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). Isolated from Aspergillus flavus
Dihydrocaffeic acid 3-O-glucuronide
Dihydrocaffeic acid 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4-hydroxytriazolam
4-hydroxytriazolam is a metabolite of triazolam. Triazolam (marketed in English-speaking countries under the brand names Apo-Triazo, Halcion, Hypam, and Trilam) is a benzodiazepine drug. It possesses pharmacological properties similar to that of other benzodiazepines, but it is generally only used as a sedative to treat severe insomnia. In addition to the hypnotic properties triazolam possesses, amnesic, anxiolytic, sedative, anticonvulsant and muscle relaxant properties are also present. (Wikipedia)
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3,5-dihydroxyphenyl)propanoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Homovanillic acid 4-glucuronide
(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoyl Chloride
2-Iodomelatonin
C13H15IN2O2 (358.01782399999996)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
alpha-Hydroxyetizolam
C17H15ClN4OS (358.06550500000003)
Calmagite
C17H14N2O5S (358.06233940000004)
[(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate
Retusin
Retusin(ariocarpus), also known as 5-hydroxy-3,7,3,4-tetramethoxyflavone or 3,7,3,4-tetra-O-methylquercetin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, retusin(ariocarpus) is considered to be a flavonoid lipid molecule. Retusin(ariocarpus) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Retusin(ariocarpus) can be found in common oregano and mandarin orange (clementine, tangerine), which makes retusin(ariocarpus) a potential biomarker for the consumption of these food products. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1]. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1].
N-Iodo-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
C13H15IN2O2 (358.01782399999996)
Edetate trisodium
Preservative. Ethylenediaminetetraacetic acid, widely abbreviated as EDTA, is a polyamino carboxylic acid and a colourless, water-soluble solid. Its conjugate base is named ethylenediaminetetraacetate. It is widely used to dissolve limescale. Its usefulness arises because of its role as a hexadentate (six-toothed") ligand and chelating agent Preservative
7-Demethyltangeretin
7-demethyltangeretin is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, 7-demethyltangeretin is considered to be a flavonoid lipid molecule. 7-demethyltangeretin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-demethyltangeretin can be found in mandarin orange (clementine, tangerine), which makes 7-demethyltangeretin a potential biomarker for the consumption of this food product.
Dichotomitin
5,3-Dihydroxy-4,5-dimethoxy-6,7-methylenedioxyisoflavone is an isoflavonoid. Dichotomitin is a natural product found in Iris potaninii, Iris germanica, and Iris domestica with data available. Dichotomitin is an isoflavonoid isolated from the rhizomes of Belamcanda chinensis (L.) DC[1]. Dichotomitin is an isoflavonoid isolated from the rhizomes of Belamcanda chinensis (L.) DC[1].
Przewalskinic acid A
Przewalskinic acid A is a natural product found in Lomaridium contiguum, Struthiopteris spicant, and other organisms with data available.
GardeninB
Gardenin B is a tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. It has a role as a plant metabolite. It is a tetramethoxyflavone and a monohydroxyflavone. It is functionally related to a tangeretin. Gardenin B is a natural product found in Citrus tankan, Chromolaena odorata, and other organisms with data available. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
Gardenin
Gardenin B is a tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. It has a role as a plant metabolite. It is a tetramethoxyflavone and a monohydroxyflavone. It is functionally related to a tangeretin. Gardenin B is a natural product found in Citrus tankan, Chromolaena odorata, and other organisms with data available. A tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
5,7-Trihydroxy-6,8-dimethyl-3-(2-hydroxy-3,4-methylenedioxybenzyl)chromone
Scaberin
(-)-2,3,4-Trimethoxy-8,9-methylenedioxypterocarpan
2,5,7-Trihydroxy-6,8-dimethyl-3-(3,4-methylenedioxybenzyl)-chroman-4-one
5,7-Dimethoxy-3-(3-methoxy-4,5-methylenedioxyphenylmethyl)phthalide
5-Hydroxy-6,7,3,4-tetramethoxyflavone
5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1]. 5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1].
Corymbosin
Corymbosin is a natural product found in Walsura trifoliolata, Ipomoea corymbosa, and other organisms with data available.
Isoetin 7,2,4,5-tetramethyl ether
Quercetin 3,5,7,3-tetramethyl ether
8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether
6-C-Methylquercetin 3,7,3-trimethyl ether
Distemonanthin
5-Hydroxy-2,3,7,8-tetramethoxyflavone
5-hydroxy-7,8,2,5tetramethoxyflavone
4-Hydroxy-3,7,3,5-tetramethoxyflavone
5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one
3,8-Dimethoxy-5,7-dihydroxy-3,4-methylenedioxyflavone
3,7-Dihydroxy-5,6-dimethoxy-3,4-methylenedioxyflavone
Quercetin 5,7,3,4-tetramethyl ether
A tetramethoxyflavone that is the 5,7,3,4-tetramethy-derivative of quercetin.
5,7,3-Trihydroxy-4,5-dimethoxy-6,8-dimethylflavone
5,7,4-Trihydroxy-3,3-dimethoxy-6,8-dimethylflavone
2-(2,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxyflavone
Gardenin B
Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1]. Gardenin B is a flavonoid isolated from Gardenia jasminoides. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].
5,4-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone
Hypolaetin 7,8,3,4-tetramethyl ether
12a-Hydroxymunduserone
diMe-SPA6DC
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
3,4,8,10-Tetrahydroxy-9-methoxy-isochromeno[4,3-b]chromen-5,7-dion|3,4,8,10-tetrahydroxy-9-methoxy-isochromeno[4,3-b]chromene-5,7-dione|Distemonanthin
(+)-4,5,7-tri-O-methyl-2,3-trans-crombeone|Crombeontrimethylether
3,4-dihydroxy-5,2-dimethoxy-6,7-methylendioxy-isoflavone
(+)-episesaminol-6-catechol|2-episesaminol 6-catechol
3,4-dihydro-6,8-dihydroxy-3-(2-acetyl-3-hydroxy-5-methoxy)methyl-1H-[2]benzopyran-1-one
Dimethoxy-3-(3-methoxy-4, 5-methylenedioxybenzyl)phthalide
1,4,6,9-Tetramethyl-3-methoxy-8-hydroxy-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
1,8-dihydroxy-3-(3-hydroxymethyl-4-hydroxybut-2-enyloxy)-6-methylxanthone
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-, methyl ester
1,4,6,8-Tetrahydroxy-2-(3-methyl-2-butenyl)-3-methoxy-9H-xanthene-9-one
6-8-Di-Me ether-1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid
O1-veratroyl-beta-D-glucopyranuronic acid|O1-Veratroyl-beta-D-glucopyranuronsaeure
(3R)-4,6-dimethoxy-3-[5-methoxy-4-oxo-6-{(1E)-prop-1-en-1-yl}-4-H-pyran-3-yl]-2-benzofuran-1(3H)one|methoxyvermistatin
3,5-Dihydroxy-7,8-dimethoxy-3,4-(methylenebisoxy)flavone
Diplotrin B
A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8 and 4 and a hydroxy group at position 3. Isolated from the aerial parts of Mimosa diplotricha, it exhibits antiproliferative activity.
3,6,8-trihydroxy-4-methoxy-1-methylanthraquinone-2-carboxylic acid methyl ester|eleuthraquinone B
(7Z)-9-nor-3,4,4-trihydroxy-3,5-dimethoxylign-7-ene-9,7-lactone|tectonoelin B
(1R,2S,5R,6R)-1-hydroxy-2-(3,4-dihydroxyphenyl)-6-(3,4-methylenedioxyphe-nyl)-3,7-dioxabicyclo[3.3.0]octane
2-(1,3-Benzodioxole-5-yl)-3,7-dimethoxy-5,8-dihydroxy-4H-1-benzopyran-4-one
3,5,2-trihydroxy-7,3-dimethoxy-6,8-dimethylflavone
1-Hydroxy-3,8-dimethoxy-9-oxo-9H-xanthene 4-(1-methyl-3-hydroxypropanal)
(7S,8R)-7,8-dihydro-8-(hydroxymethyl)-3-methoxy-7-[3,4-(methylenedioxy)phenyl]benzofuran-1-carboxylic acid methyl ester|toonin C
5,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-8-acetic acid methyl ester
(1R,2R,5R,6R)-1-hydroxy-2-(3,4-methylenedioxyphenyl)-6-(3,4-dihydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
(7alpha,7alpha,8alpha,8alpha)-3-methoxy-9-oxo-7,9,7,9-diepoxylignan-3,4,4-triol|3-demethyl-9-oxo-pinoresinol|syzygiresinol A
3-(1-(3,4-dihydroxyphenyl)ethyl)-7-hydroxy-6,8-dimethoxycoumarin|sarcandracoumarin
dalnigrein
A member of the class of 7-hydroxyisoflavones that is isoflavone having four methoxy substituents at the 2-, 4-, 5- and 6-positions and a hydroxy group at position 7.
2,5,7-Trihydroxy-3-(1,3-benzodioxole-5-ylmethyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
(+-)-5,6,7-Trimethoxy-2-<3,4-methylendioxy-phenyl>-chromanon-(4)|2-Benzo[1,3]dioxol-5-yl-5,6,7-trimethoxy-chroman-4-on|2-benzo[1,3]dioxol-5-yl-5,6,7-trimethoxy-chroman-4-one|Agestricin B methyl ether
(2E)-3-{4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)acetyl]-5-methoxyphenyl}acrylic acid
3,4,4a,5,6,12b-Hexahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
O1-fluoren-2-yl-beta-D-glucopyranuronic acid|O1-Fluoren-2-yl-beta-D-glucopyranuronsaeure
6-Me ether,Me ester-1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid
1-Hydroxy-2,3,5,8-tetramethoxy-6-methylanthracene-9,10-dione
Retusin
Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1]. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1].
3-(3,4-dimethoxy-phenyl)-5-hydroxy-7,8-dimethoxy-chromen-4-one|5-hydroxy-3,4,7,8-tetramethoxyflavone|5-Hydroxy-7,8,3,4-tetramethoxyisoflavon
Retusin_(flavonol)
5-hydroxy-3,3,4,7-tetramethoxyflavone is a monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3,4 and 7. It has a role as a plant metabolite. It is a tetramethoxyflavone, a member of 3-methoxyflavones and a monohydroxyflavone. It is a conjugate acid of a 5-hydroxy-3,3,4,7-tetramethoxyflavone(1-). Retusin is a natural product found in Larrea cuneifolia, Solanum pubescens, and other organisms with data available. A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3,4 and 7. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1]. Retusin (Quercetin-3,3',4',7-tetramethylether), a natural compound isolated from the leaves of Talinum triangulare, possesses antiviral and anti-inflammatory activities[1].
5-demethylsinensetin
5-Hydroxy-3,4,6,7-tetramethoxyflavone is a natural product found in Achillea santolina, Chromolaena odorata, and other organisms with data available. See also: Tangerine peel (part of). 5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1]. 5-desmethylsinensetin, isolated from Artemisia princeps , possesses antiprotozoal activity. 5-desmethylsinensetin shows IC50 values of 0.4 μg/mL on T. cruzi epimastigotes and 75.1 μg/mL on trypomastigotes, respectively[1].
Triflumuron
D010575 - Pesticides > D002629 - Chemosterilants D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3118
6-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
[2-acetyl-4-(1,2-dihydroxypropyl)phenyl] 1,3-benzodioxole-5-carboxylate
(6aR,12aR)-12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid_major
5-hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, 2-hydroxyethyl
5,3-dihydroxy-4,5-dimethoxy-6,7-methylenedioxyisoflavone
2-Galloyl-1,4-galactarolactone methyl ester
5-Methoxy-galloyl-1,4-galactarolactone
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate
Aflatoxin ExB2
Dihydrocaffeic acid 3-O-glucuronide
1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid
Disodium phosphate dodecahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
C16H16N5O3S+ (358.09738060000006)
benzene-1,3-dicarboxylic acid,(E)-but-2-enedioic acid,propane-1,2-diol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-3,4,5-triol
1-(6-Chloro-9H-purin-9-yl)-1-deoxy-2,3-O-isopropylidene-beta-D-ribofuranuronoyl chloride
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
C13H15IN2O2 (358.01782399999996)
Succinyldisalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
C18H15ClN2O4 (358.07203000000004)
2-(2-Iodo-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea
C18H18N2O4S (358.0987228000001)
5-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]-1-phenyltetrazole
C16H14N4O4S (358.07357240000005)
4-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1,2,3-thiadiazole
C12H8F6N2O2S (358.02106599999996)
Mifobate
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist Mifobate (SR-202) is a potent and specific PPARγ antagonist. Mifobate (SR-202) selectively inhibits Thiazolidinedione (TZD)-induced PPARγ transcriptional activity (IC50=140 μM). Mifobate (SR-202) does not affect basal or ligand-stimulated transcriptional activity of PPARα, PPARβ, or the farnesoid X receptor (FXR). Mifobate (SR-202) shows antiobesity and antidiabetic effects[1].
6-Nitro-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quino-line
(S)-(-)-3-HYDROXY-3-METHYL-4,4,4-TRICHLOROBUTYRICBETA-LACTONE
C13H15ClN4O4S (358.05025000000006)
N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline (hydrochloride)
2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
1H-PYRROLO[2,3-B]PYRIDINE, 1-[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]-3-IODO-
2-(4-Bromobenzyl)-2,8-diazaspiro[4.5]decan-3-one hydrochloride (1 :1)
C15H20BrClN2O (358.04474400000004)
4-[(E)-2-(4-carboxy-2-nitrophenyl)ethenyl]-3-nitrobenzoic acid
Methyl 2,3-O-isopropylidene-5-O-(p-tolylsulfonyl)-beta-D-ribofuranoside
2-(4-BENZYL-1-PIPERAZINO)-4-BROMO-BENZALDEHYDE
C18H19BrN2O (358.06806639999996)
2-(4-BENZYL-1-PIPERAZINO)-5-BROMO-BENZALDEHYDE
C18H19BrN2O (358.06806639999996)
4-(4-benzylpiperazin-1-yl)-2-bromobenzaldehyde
C18H19BrN2O (358.06806639999996)
4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde
C18H19BrN2O (358.06806639999996)
TETRAKIS(ACETONITRILE)SILVER(I) TETRAFLUOROBORATE
C8H12AgBF4N4 (358.01420399999995)
[(chloro-phenyl-methyl)-phenoxy-phosphoryl]oxybenzene
C19H16ClO3P (358.05255460000006)
2-[[4-[benzylmethylamino]phenyl]azo]-3-methylthiazolium chloride
1,2-BENZENEDICARBONITRILE, 4-[(2,2,3,3,4,4,5,5-OCTAFLUOROPENTYL)OXY]
Hydrazine,1,1-(2,2,3,3,5,5,6,6-octafluoro[1,1-biphenyl]-4,4-diyl)bis-
9 10-dimethoxy-2-anthracenesulfonic aci&
C16H15NaO6S (358.04870100000005)
2-[2-(4-methylphenyl)-1,1-dioxo-6-phenylthiopyran-4-ylidene]propanedinitrile
Fezolinetant
Fezolinetant is an antagonist of the neurokinin 3 receptor (NK3R), used for the treatment of menopausal hot flushes.
4-broMo-N-(2-(tert-butyldiMethylsilyl)ethyl)-2-nitroaniline
C14H23BrN2O2Si (358.07120779999997)
3-(4-ETHOXY-PHENYL)-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
4,5-Dimethoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
2,8-Diazaspiro[4.5]decan-1-one, 2-[(4-bromophenyl)methyl]-, hydrochloride (1:1)
C15H20BrClN2O (358.04474400000004)
[(Methylthio)methyl]-triphenylphosphonium chloride
C20H20ClPS (358.0711800000001)
(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
C18H19BrN2O (358.06806639999996)
2-(3,4-dichlorobenzyl)-6-styryl-4,5-dihydro-3(2H)-pyridazinone
C19H16Cl2N2O (358.06396259999997)
5-[(5-Methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid methyl ester
3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
C18H18N2O4S (358.0987228000001)
Versiconal hydroxyaldehyde form
The tricyclic anthraquinone-hydroxyaldehyde form of versicolorone.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyloxane-3,4,5-triol
1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole
(1S,4S,5S)-1,4,5-Trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid
Etoricoxib
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents
2-(2-Benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
isopenicillin N(1-)
C14H20N3O6S- (358.10727600000007)
Conjugate base of isopenicillin N.
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate
4-Fluorobenzoic acid 4-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C17H11FN2O4S (358.04235380000006)
5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4,5:4,5]thieno[2,3-c]isoquinoline-8(9H)-thione
4-Chlorobenzaldehyde (5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)hydrazone
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide
C18H18N2O4S (358.0987228000001)
2-(6-Methyl-3-benzofuranyl)acetic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
C18H15ClN2O4 (358.07203000000004)
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-fluorobenzylidene)acetohydrazide
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester
C18H15ClN2O4 (358.07203000000004)
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1$l^{4},4-benzothiazine-6-carboxamide
C18H18N2O4S (358.0987228000001)
2-(2-Chloro-6-fluoro-phenyl)-3-(2-quinolyl)thiazolidin-4-one
4-(N-Maleimido)phenyltrimethylammonium iodide
C13H15IN2O2 (358.01782399999996)
4-Hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
C17H14N2O5S (358.06233940000004)
N2,N4-Bis(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
C16H12F2N6O2 (358.09897559999996)
methyl 4-[2-cyano-2-(4-methylphenyl)sulonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
C18H18N2O4S (358.0987228000001)
3-aminopropyl N-acetyl-6-O-sulfo-beta-D-glucosaminide
C11H22N2O9S (358.10459620000006)
6-[3-(3,4-Dihydroxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(2-Carboxyethyl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2,4-Dihydroxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2,3-Dihydro-2-(3,4-dihydroxyphenyl)-3-carboxy-1,4-benzodioxin-6-acrylic acid
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] propanoate
C12H23O10P (358.10287880000004)
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] butanoate
C12H23O10P (358.10287880000004)
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] butanoate
C12H23O10P (358.10287880000004)
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate
C12H23O10P (358.10287880000004)
35_Dihydroxy_phenyl_propanoic_acid_3OBD_Glucuronide
[2-Acetyl-4-(1,2-dihydroxypropyl)phenyl] 1,3-benzodioxole-5-carboxylate
4-(1H-indol-3-ylmethyl)-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione
1-(4-Chlorophenyl)-4-oxo-5-propoxy-cinnoline-3-carboxylic acid
C18H15ClN2O4 (358.07203000000004)
(2S-3S)-versiconal hemiacetal
An optically active form of versiconal hemiacetal having 2S,3S-configuration.
2-Iodomelatonin
C13H15IN2O2 (358.01782399999996)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
n~3~-[2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide
C11H23N2O7PS (358.09635380000003)
2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6-dimethoxychromen-4-one
5-Hydroxy-7,2,4,5-tetramethoxyflavone
A monohydroxyflavone that is flavone with a hydroxy substituent at position 5 and methoxy groups at positions 7, 2, 4 and 5. Isolated from Calliandra californica, it exhibits antibacterial activity.
D-Pantetheine 4-phosphate
C11H23N2O7PS (358.09635380000003)
Pantetheine 4-phosphate with D (R) configuration at the 2 position.
Asoxime (dichloride)
Asoxime dichloride (HI-6) is an antagonist to acetylcholine receptors (AChRs) including the nicotinic receptor, α7 nAChR. Asoxime dichloride involves in modulating immunity response. Asoxime dichloride (HI-6) can be used as an antigen and improves vaccination efficacy in the nervous system[1].