Exact Mass: 344.0961346
Exact Mass Matches: 344.0961346
Found 500 metabolites which its exact mass value is equals to given mass value 344.0961346,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Obtusin
Obtusin is a dihydroxyanthraquinone. Obtusin is a natural product found in Laurencia obtusa, Senna obtusifolia, and other organisms with data available.
Cirsilineol
Cirsilineol, also known as 4,5-dihydroxy-3,6,7-trimethoxy-flavone or anisomelin, 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, cirsilineol is considered to be a flavonoid lipid molecule. Cirsilineol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cirsilineol can be found in a number of food items such as common thyme, tarragon, common sage, and hyssop, which makes cirsilineol a potential biomarker for the consumption of these food products. Cirsilineol is a bioactive flavone isolated from Artemisia and from Teucrium gnaphalodes . Cirsilineol is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3 and hydroxy groups at positions 5 and 4 respectively. It has a role as a plant metabolite and an antineoplastic agent. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a flavone. Cirsilineol is a natural product found in Thymus herba-barona, Salvia tomentosa, and other organisms with data available. See also: Tangerine peel (part of).
Deoxyelephantopin
Deoxyelephantopin is a sesquiterpenoid. Deoxyelephantopin is a natural product found in Elephantopus scaber with data available. Isodeoxyelephantopin is a terpene lactone. Deoxyelephantopin, a natural bioactive sesquiterpene lactone from Elephantopus scaber, has shown promising anticancer effects against a broad spectrum of cancers. Deoxyelephantopin inhibits NF-κB, MAPK, PI3K/Akt, and β-catenin signaling[1]. Deoxyelephantopin, a natural bioactive sesquiterpene lactone from Elephantopus scaber, has shown promising anticancer effects against a broad spectrum of cancers. Deoxyelephantopin inhibits NF-κB, MAPK, PI3K/Akt, and β-catenin signaling[1].
Ayanin
3,5-dihydroxy-3,4,7-trimethoxyflavone is a trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4 and 7 have been replaced by methoxy groups. It has a role as a plant metabolite. It is a dihydroxyflavone and a trimethoxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 3,5-dihydroxy-3,4,7-trimethoxyflavone(1-). Ayanin is a natural product found in Psiadia viscosa, Solanum pubescens, and other organisms with data available. A trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4 and 7 have been replaced by methoxy groups.
Clotrimazole
Clotrimazole is an imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. -- Pubchem; There is the potential for drug interactions with Clotrimazole if taken orally, as it is a potent, specific inhibitor of cytochrome P450 oxidase enzymes and so may alter the metabolism of other drugs.; Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. -- Wikipedia; An imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane.; Clotrimazole is a potent, specific inhibitor of cytochrome P450 oxidase enzymes. Hence, it may alter the metabolism of other drugs particularly if taken orally. -- Wikipedia; Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. It also used to treat athletes foot and jock itch. [HMDB] Clotrimazole is an imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. -- Pubchem; There is the potential for drug interactions with Clotrimazole if taken orally, as it is a potent, specific inhibitor of cytochrome P450 oxidase enzymes and so may alter the metabolism of other drugs. Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. -- Wikipedia; An imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. Clotrimazole is a potent, specific inhibitor of cytochrome P450 oxidase enzymes. Hence, it may alter the metabolism of other drugs particularly if taken orally. -- Wikipedia; Clotrimazole is an antifungal medication commonly used in the treatment of fungal infections of both humans and animals such as vaginal yeast infections and ringworm. It also used to treat athletes foot and jock itch. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Eupatilin
Eupatilin is a trimethoxyflavone that is flavone substituted by hydroxy groups at C-5 and C-7 and methoxy groups at C-6, C-3 and C-4 respectively. Isolated from Citrus reticulata and Salvia tomentosa, it exhibits anti-inflammatory, anti-ulcer and antineoplastic activities. It has a role as an anti-ulcer drug, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an antineoplastic agent, an anti-inflammatory agent and a metabolite. It is a trimethoxyflavone and a dihydroxyflavone. Eupatilin is a natural product found in Eupatorium capillifolium, Chromolaena odorata, and other organisms with data available. A trimethoxyflavone that is flavone substituted by hydroxy groups at C-5 and C-7 and methoxy groups at C-6, C-3 and C-4 respectively. Isolated from Citrus reticulata and Salvia tomentosa, it exhibits anti-inflammatory, anti-ulcer and antineoplastic activities. Eupatilin is found in herbs and spices. Eupatilin is isolated from Tanacetum vulgare (tansy Isolated from Tanacetum vulgare (tansy). Eupatilin is found in herbs and spices. Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities. Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities. Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities.
Nevadensin
Nevadensin, also known as pedunculin or 5,7-hydroxy-4,6,8-trimethoxyflavone, 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, nevadensin is considered to be a flavonoid lipid molecule. Nevadensin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nevadensin can be found in peppermint and sweet basil, which makes nevadensin a potential biomarker for the consumption of these food products. Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2]. Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2].
Santin
A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4 and hydroxy groups at positions 5 and 7 respectively.
5,7-Dihydroxy-3',4',5'-trimethoxyflavone
5,7-Dihydroxy-3,4,5-trimethoxyflavone is found in cereals and cereal products. 5,7-Dihydroxy-3,4,5-trimethoxyflavone is isolated from leaves of barley (Hordeum vulgare). Isolated from leaves of barley (Hordeum vulgare). 3,4,5-Trimethoxytricetin is found in barley and cereals and cereal products.
Usnic acid
A member of the class of dibenzofurans that is dibenzo[b,d]furan-1(9bH)-one substituted by acetyl groups at positions 2 and 6, hydroxy groups at positions 3 and 7 and methyl groups at positions 8 and 9b. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.457 D000890 - Anti-Infective Agents > D000935 - Antifungal Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.456 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.458 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.459 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.455 (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2]. (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2]. (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2]. (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2]. Usnic acid, a lichen-derived secondary metabolite, has a unique dibenzofuran skeleton. Usnic acid has excellent anticancer and antimicrobial properties. Usnic acid significantly inhibits RANKL-mediated osteoclast formation and function by reducing the transcriptional and translational expression of NFATc1[1]. Usnic acid, a lichen-derived secondary metabolite, has a unique dibenzofuran skeleton. Usnic acid has excellent anticancer and antimicrobial properties. Usnic acid significantly inhibits RANKL-mediated osteoclast formation and function by reducing the transcriptional and translational expression of NFATc1[1].
Pachypodol
Pachypodol is a trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3 are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana. It has a role as a plant metabolite and an antiemetic. It is a dihydroxyflavone and a trimethoxyflavone. It is functionally related to a quercetin. Pachypodol is a natural product found in Larrea cuneifolia, Macaranga triloba, and other organisms with data available. A trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3 are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana. Pachypodol exerts antioxidant and cytoprotective effects in HepG2 cells[1].Pachypodol inhibits the growth of CaCo 2 colon cancer cell line in vitro(IC50 = 185.6 mM)[2]. Pachypodol exerts antioxidant and cytoprotective effects in HepG2 cells[1].Pachypodol inhibits the growth of CaCo 2 colon cancer cell line in vitro(IC50 = 185.6 mM)[2].
Tambulin
Tambulin, also known as herbacetin 7,8,4-trimethyl ether, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, tambulin is considered to be a flavonoid lipid molecule. Tambulin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tambulin can be found in sunflower, which makes tambulin a potential biomarker for the consumption of this food product.
Echinone
Theogallin
Theogallin is found in blackcurrant. Theogallin is isolated from tea.
Xanthomicrol
Isolated from Citrus sudachi, Mentha piperita, Sideritis subspecies and Thymus subspecies Xanthomicrol is found in many foods, some of which are citrus, herbs and spices, sweet basil, and winter savory. low.
5,6,7,4-Tetramethoxyflavanone
A methoxyflavanone that is flavanone substituted by methoxy groups at positions 5, 6, 7 and 4.
Oxadiazone
C15H18Cl2N2O3 (344.06944180000005)
CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10263; ORIGINAL_PRECURSOR_SCAN_NO 10259 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10314; ORIGINAL_PRECURSOR_SCAN_NO 10309 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10220; ORIGINAL_PRECURSOR_SCAN_NO 10215 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10305; ORIGINAL_PRECURSOR_SCAN_NO 10302 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10327; ORIGINAL_PRECURSOR_SCAN_NO 10323 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3704 CONFIDENCE standard compound; INTERNAL_ID 2626 CONFIDENCE standard compound; INTERNAL_ID 8466
Diosbulbin B
Diosbulbin B is found in root vegetables. Diosbulbin B is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). Diosbulbin B is found in root vegetables. Diosbulbin B is a diterpene lactone isolated from D. bulbifera L., with anti-tumor activity. Diosbulbin B can induce liver injury[1][2]. Diosbulbin B is a diterpene lactone isolated from D. bulbifera L., with anti-tumor activity. Diosbulbin B can induce liver injury[1][2].
Usnic_acid
7-Hydroxy-(S)-usnate is a member of benzofurans. Usnic acid is a natural product found in Lecanora muralis, Usnea florida, and other organisms with data available. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Usnic acid, a lichen-derived secondary metabolite, has a unique dibenzofuran skeleton. Usnic acid has excellent anticancer and antimicrobial properties. Usnic acid significantly inhibits RANKL-mediated osteoclast formation and function by reducing the transcriptional and translational expression of NFATc1[1]. Usnic acid, a lichen-derived secondary metabolite, has a unique dibenzofuran skeleton. Usnic acid has excellent anticancer and antimicrobial properties. Usnic acid significantly inhibits RANKL-mediated osteoclast formation and function by reducing the transcriptional and translational expression of NFATc1[1].
Lysionotin
Nevadensin is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 8 and 4 and hydroxy groups at positions 5 and 7 respectively. It has a role as a plant metabolite. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a flavone. It is a conjugate acid of a nevadensin-7-olate. Nevadensin is a natural product found in Calanticaria bicolor, Gardenia resinifera, and other organisms with data available. A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 8 and 4 and hydroxy groups at positions 5 and 7 respectively. Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2]. Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2].
Domesticoside
Domesticoside is found in fruits. Domesticoside is isolated from the bark of Prunus domestica (plum
4',6'-Dihydroxy-2'-methoxyacetophenone 6'-glucoside
4,6-Dihydroxy-2-methoxyacetophenone 6-glucoside is found in herbs and spices. 4,6-Dihydroxy-2-methoxyacetophenone 6-glucoside is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron). 4,6-Dihydroxy-2-methoxyacetophenone 6-glucoside is found in herbs and spices.
6-(4-carboxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Diosbulbin D
Diosbulbin D belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Diosbulbin D is an extremely weak basic (essentially neutral) compound (based on its pKa). Diosbulbin D is found in root vegetables and is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). Diosbulbin D is found in root vegetables.
8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate
Dehydrocyanaropicrin
Dehydrocyanaropicrin is found in globe artichoke. Dehydrocyanaropicrin is a constituent of Cynara scolymus (artichoke) Constituent of Cynara scolymus (artichoke). Dehydrocyanaropicrin is found in globe artichoke and root vegetables.
2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl 2-methylbut-2-enoate
Lathycarpin
Phytoalexin from leaves of Lathyrus sativus (chickling pea). Lathycarpin is found in grass pea and pulses. Lathycarpin is found in grass pea. Phytoalexin from leaves of Lathyrus sativus (chickling pea).
3',8-Dihydroxy-4',5',7-trimethoxyflavone
3,8-Dihydroxy-4,5,7-trimethoxyflavone is found in fruits. 3,8-Dihydroxy-4,5,7-trimethoxyflavone is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 3,8-Dihydroxy-4,5,7-trimethoxyflavone is found in fruits.
dehydronifedipine
dehydronifedipine is a metabolite of nifedipine. Nifedipine (brand names Adalat, Nifediac, Cordipin, Nifedical, and Procardia) is a dihydropyridine calcium channel blocker. Its main uses are as an antianginal and antihypertensive, although a large number of other indications have recently been found for this agent, such as Raynauds phenomenon, premature labor, and painful spasms of the esophagus such as in cancer and tetanus patients. (Wikipedia)
Aflatoxin Ex2B1
Aflatoxin Ex2B1 is a metabolite of Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). Metabolite of Aspergillus flavus
Vanillic acid 4-O-glucuronide
Vanillic acid 4-O-glucuronide is a metabolite of vanillic acid. A glucuronide is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use 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. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases (Wikipedia).
6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Homovanillyl alcohol glucuronide
Isovanillic acid glucuronide
Vanillic acid glucuronide
[2,2'-Biquinoline]-4,4'-dicarboxylic acid
C20H12N2O4 (344.07970320000004)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Chembl4159192
1-Benzenesulfonyl-5-ethyl-5-phenylhydantoin
C17H16N2O4S (344.08307360000003)
2-Chloro-21H,23H-porphyrin
Eupatorin
Eupatorin, also known as 3,5-dihydroxy-4,6,7-trimethoxyflavone, 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, eupatorin is considered to be a flavonoid lipid molecule. Eupatorin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eupatorin can be found in lemon verbena, mandarin orange (clementine, tangerine), and peppermint, which makes eupatorin a potential biomarker for the consumption of these food products. Eupatorin, a naturally occurring flavone, arrests cells at the G2-M phase of the cell cycle and induces apoptotic cell death involving activation of multiple caspases, mitochondrial release of cytochrome c and poly(ADP-ribose) polymerase cleavage[1]. Eupatorin, a naturally occurring flavone, arrests cells at the G2-M phase of the cell cycle and induces apoptotic cell death involving activation of multiple caspases, mitochondrial release of cytochrome c and poly(ADP-ribose) polymerase cleavage[1].
[Acetyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]oxy hydrogen sulfate
[3-(2-Acetamidoethyl)-5-methoxy-1H-indol-6-yl]oxy hydrogen sulfate
usnic acid
Cerasidin
Cerasidin is a member of the class of compounds known as 2-hydroxychalcones. 2-hydroxychalcones are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2-position. Thus, cerasidin is considered to be a flavonoid lipid molecule. Cerasidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cerasidin can be found in sour cherry, which makes cerasidin a potential biomarker for the consumption of this food product.
6-Hydroxyluteolin 7,3',4'-trimethyl ether
6-hydroxyluteolin 7,3,4-trimethyl ether 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, 6-hydroxyluteolin 7,3,4-trimethyl ether is considered to be a flavonoid lipid molecule. 6-hydroxyluteolin 7,3,4-trimethyl ether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxyluteolin 7,3,4-trimethyl ether can be found in peppermint and pot marjoram, which makes 6-hydroxyluteolin 7,3,4-trimethyl ether a potential biomarker for the consumption of these food products.
clotrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 329
Eupatorin
Eupatorin is a trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4, 6 and 7 have been replaced by methyl groups. It has a role as a Brassica napus metabolite, an apoptosis inducer, a vasodilator agent, a calcium channel blocker, an anti-inflammatory agent, a P450 inhibitor and an antineoplastic agent. It is a dihydroxyflavone, a trimethoxyflavone and a polyphenol. It is functionally related to a 6-hydroxyluteolin. Eupatorin is a natural product found in Eupatorium album, Eupatorium altissimum, and other organisms with data available. A trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4, 6 and 7 have been replaced by methyl groups. Eupatorin, a naturally occurring flavone, arrests cells at the G2-M phase of the cell cycle and induces apoptotic cell death involving activation of multiple caspases, mitochondrial release of cytochrome c and poly(ADP-ribose) polymerase cleavage[1]. Eupatorin, a naturally occurring flavone, arrests cells at the G2-M phase of the cell cycle and induces apoptotic cell death involving activation of multiple caspases, mitochondrial release of cytochrome c and poly(ADP-ribose) polymerase cleavage[1].
UsnicAcid
(-)-usnic acid is the (-)-enantiomer of usnic acid. It has a role as an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor. It is a conjugate acid of a (-)-usnic acid(2-). It is an enantiomer of a (+)-usnic acid. Usnic acid is a furandione found uniquely in lichen that is used widely in cosmetics, deodorants, toothpaste and medicinal creams as well as some herbal products. Taken orally, usnic acid can be toxic and has been linked to instances of clinically apparent, acute liver injury. (-)-Usnic acid is a natural product found in Dactylina arctica, Evernia divaricata, and other organisms with data available. The (-)-enantiomer of usnic acid. (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2]. (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2]. (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2]. (+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity[1]. (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium[2].
5,7-Dihydroxy-6,8-dimethyl-3-(4-hydroxy-3-methoxybenzyl)chroman-4-one
5,2-Dihydroxy-7-methoxy-6,8-dimethyl-4,5-methylenedioxyflavan
hyperxanthone C
A member of the class of xanthones that is 2,3,6,8-tetrahydroxyxanthone substituted by a 2-hydroxy-3-methylbut-3-enyl group at position 1. Isolated from the aerial parts of Hypericum scabrum, it exhibits cytotoxicity for human tumour cells.
2,5,7-Trihydroxy-6,8-dimethyl-3-(4-methoxybenzyl)chroman-4-one
2-Acetonyl-2,4,9-trihydroxy-6-methoxy-7-methyl-1H-phenalene-1,3(2H)-dione
6-Hydroxyluteolin 7,3,4-trimethyl ether
Herbacetin 3,7,8-trimethyl ether
Quercetin 3,3,4-trimethyl ether
Quercetin 7,3,4-trimethyl ether
3',4',7-Trimethoxyquercetin (Quercetin 3′,4′,7-trimethyl ether) is a polymethoxylated flavone isolated from the plant of genus Taraxacum, has antioxidant?activity[1].
3,4-Dihydroxy-5,6,7-trimethoxyflavone
8,3-Dihydroxy-5,7,4-trimethoxyflavone
5,7-Dihydroxy-8,3,5trimethoxyflavone
5,4-dihydroxy-7,3,5-trimethoxyflavone
5,5-Dihydroxy-8,3,4-trimethoxyflavone
3,7-Dihydroxy-5,3,4-trimethoxyflavone
3,4-Dihydroxy-7,3,5-trimethoxyflavone
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
(2R,3S)-5,4-Dihydroxy-7-methoxy-3-O-acetylflavanone
Eupatilin
Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities. Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities. Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities.
Nevadensin
Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2]. Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2].
Tambulin
A member of the class of flavonols that is flavonol substituted by an additional hydroxy group at position 5 and methoxy groups at positions 7, 8 and 4 respectively.
5-Hydroxy-7,8-dimethoxy-2-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
3,6-dihydroxy-2,4-dimethoxy-3,4-methylenedioxychalcone
Polyhydroxylated cyclic sulfoxide
A natural product found in Salacia reticulata.
(7E),(7S,8R)-3,3,4,9-tetrahydroxy-4,7-epoxy-8,5-neolign-7-en-9-oic acid|morindolin
(2E)-3-(5-formyl-2,6-dihydroxy-3,5-dimethoxybiphenyl-3-yl) acrylic acid
(2S,3R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxybenzofuran-5-carboxylic acid|cedralin A
1-(5-hydroxymethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-beta-D-glycero-D-allo-3,7-anhydro-1,6-dideoxy-octofuranuronic acid|Octosylsaeure B
C13H16N2O9 (344.08557659999997)
14-hydroxy-1-methoxycarbonyl-8,13-dihydro-7H-indolo[2,3:3,4]pyrido[1,2-b]isoquinolinium betaine|Neooxygambirtannin|Neooxygambirtannine
3,4-dihydro-6,8-dihydroxy-3-(2acetyl-3,5-dihydroxyphenyl)methyl isocoumarin
4-(3,4-Dihydroxyphenyl)-5,7,8-trimethoxy-2H-1-benzopyran-2-one
1,2-Dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dione
5,6-Dihydroxy-2-methyl-1,4,7-trimethoxyanthracene-9,10-dione
(4-Acetyl-3-hydroxy-5-methoxy-phenyl)-beta-D-glucopyranosid|(4-acetyl-3-hydroxy-5-methoxy-phenyl)-beta-D-glucopyranoside|4-O-beta-D-glucopyranosyl-2-hydroxy-6-methoxyacetophenone|4-O-beta-D-glucopyranosyl-2-O-methylphloroacetophenone|6-O-methylphloroacetophenone-4-O-|annphenone
3-(3-Hydroxy-4,5-dimethoxyphenyl)-5-methoxy-7-hydroxy-4H-1-benzopyran-4-one
(1S,2S,3R,4R,5R,6S,10R,11R,14R)-3,4,5,10,14-pentahydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecane-9,13-dione|(2R)-2-hydroxymajucin
F390B
A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by a acetyloxy group at position 4, a hydroxy group at position 8, a methyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines.
(+)-O1-3,4-deoxypsorospermin-3,4-diol|(-)-O1-demethyl-3,4-deoxypsorospermin-3,4-diol
4H-1-Benzopyran-4-one, 5,8-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-
1,3,5-Trimethoxy-2,8-dihydroxy-6-methyl-9,10-anthraquinone
(3R)-4,6-dimethoxy-3-[5-hydroxy-4-oxo-6-{(1E)-prop-1-en-1-yl}-4-H-pyran-3-yl]-2-benzofuran-1(3H)one|methoxyvermistatin
syringic acid 4-O-alpha-L-rhamnopyranoside|syringic acid 4-O-alpha-L-rhamnoside|syringic acid-4-O-alpha-L-rhamnoside
hernancorizin
A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 5 and 2 and methoxy groups at positions 7, 4 and 5. It has been isolated from Mimosa diplotricha.
1,3-dihydroxy-5,6-dimethoxy-2-(methoxymethyl)-9,10-anthraquinone
9,10-Anthracenedione, 1,8-dihydroxy-2,3,5-trimethoxy-6-methyl-
(7E),(7R,8S)-3,4,9-trihydroxy-4,7-epoxy-8,3-oxyneolignan-7-en-8-oic acid
5,7-dihydroxy-2,4-dimethoxy-5-formylisoflavanone|erycaffra E
6-hydroxymethyl-8-D-ribitol-1-yl-1H,8H-pteridine-2,4,7-trione|Photolumazin B
trans-(3)E-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-4-(hydroxymethyl)dihydrofuran-2(3H)-one
7-hydroxy-6,8-dimethoxy-3-(4-hydroxy-3-methoxyphenyl)-coumarin
3-O-acetyl-5,7-dihydroxy-6-methoxy-2,3-dihydroflavonol
4-Hydroxy-6-(2-hydroxyethyl)-8-methoxy-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
(6aalpha,12abeta)-6a,12a-dihydro-11,12a-dihydroxy-8,9-dimethoxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one|8-methoxy-10-demethoxycoccineone E|boeravinone K
1-(2,4-dihydroxy-6-methylphenyl)-2-hydroxyethanone 2-O-beta-D-glucopyranoside|juniperoside VI
(?)-3,4,3,4-tetrahydroxy-9,7beta-epoxylignano-7beta,9-lactone
5-glycoloyl-6-hydroxymethyl-9-methoxy-5,10-dihydro-phenazine-1-carboxylic acid|5-Glykoloyl-6-hydroxymethyl-9-methoxy-5,10-dihydro-phenazin-1-carbonsaeure|5-hydroxyacetyl-6-hydroxymethyl-9-methoxy-5,10-dihydro-phenazine-1-carboxylic acid|Griseolutein B|Griseolutein-B
2-Ethoxymethyl-3,5,6-trihydroxy-1-methoxy-anthrachinon
3-(2-O-beta-D-glucopyranosyl-4-hydroxyphenyl)propanoic acid
3,8-Dihydroxy-1,2,5-trimethoxy-6-methyl-9,10-anthraquinone
2-beta-D-glucopyranosyloxy-5-hydroxyphenylacetic acid methyl ester|2-??-D-Glucopyranosyloxy-5-hydroxyphenylacetic acid methyl ester
3-Hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-5,7-dimethoxy-chromen-4-on|3-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-5,7-dimethoxy-chromen-4-one|5,7,4-Trimethyl-quercetin
4,5-dihydroxy-3,7,8-trimethoxyflavone|5,4-Dihydroxy-7,8,3-trimethoxy-flavon|5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7,8-dimethoxy-chromen-4-one
Aflatoxin Ex2B1
1,6-dihydroxy-3,5,7-trimethoxy-2-methyl-9,10-anthraquinone|plocamanone D
3-methoxy-4-[(4-O-methyl-beta-glucopyranosyl)oxy]benzoic acid|vanillic acid 4-(4-O-methyl-beta-glucopyranoside)
1,8-dihydroxy-3,5,7-trimethoxy-2-methylanthraquinone
(3Z,11Z,7S*,9S*,10R*)-9-acetoxy-6,13-dichloro-7:10-epoxypentadeca-3,11-dien-1-yne
C17H22Cl2O3 (344.09459219999997)
(1RS,2RS,3SR,4RS)-2,3,4,7-Tetra-Ac-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol
1,5-Dihydroxy-2,3,8-trimethoxy-6-methyl-9,10-anthraquinone
3,4,4a,10b-tetrahydro-3,4,7,8,9-pentahydroxy-2-hydroxymethyl-10-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one
1-(4-hydroxy-3-methoxyphenyl)-2-(O-beta-D-glucopyranosyl)ethanone|alpha-O-beta-D-glucopyranosylacetovanillone
1,3-dihydroxy-5,7,8-trimethoxy-2-methylanthraquinone
7-(4-Carboxybutyrylamino)-3-hydroxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OC=1C(=CC=C2C(C(=C(OC12)C1=C(C=C(C=C1)O)OC)OC)=O)OC
1,4-dihydroxy-6,7,8-trimethoxy-2-methylanthraquinone
Lysionotin
Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2]. Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2].
5-Galloylquinic acid
5-Galloylquinic acid is a natural product found in Quercus salicina, Castanopsis fissa, and Arbutus unedo with data available.
Theogallin
Theogallin is a gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). It is a gallate ester, a monocarboxylic acid and a tertiary alcohol. It is functionally related to a gallic acid and a (-)-quinic acid. Theogallin is a natural product found in Quercus salicina, Ribes uva-crispa, and other organisms with data available.
3,4,7-Trimethylquercetin
Quercetin 7,3,4-trimethyl ether is a trimethoxyflavone that is the 7,3,4-trimethyl ether derivative of quercetin. It has been isolated from Euodia confusa. It has a role as a metabolite and a plant metabolite. It is a dihydroxyflavone, a member of flavonols, a trimethoxyflavone and a member of 3-methoxyflavones. It is functionally related to a quercetin. Quercetin 7,3,4-trimethyl ether is a natural product found in Chromolaena odorata, Larrea cuneifolia, and other organisms with data available. A trimethoxyflavone that is the 7,3,4-trimethyl ether derivative of quercetin. It has been isolated from Euodia confusa. 3',4',7-Trimethoxyquercetin (Quercetin 3′,4′,7-trimethyl ether) is a polymethoxylated flavone isolated from the plant of genus Taraxacum, has antioxidant?activity[1].
3-[(4-methylphenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, 11-[(4-methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien -6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.916 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.917
Robinetin trimethyl ether
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.178 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.181 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.176
clotrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2689 CONFIDENCE standard compound; INTERNAL_ID 8549
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one
5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Usnone A
Origin: Plant; SubCategory_DNP: Triterpenoids
5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Phosphothiaminum
C12H17N4O4PS (344.07080920000004)
dolichyl diphosphate
C12H26O7P2 (344.11537059999995)
Pleoside
4',6'-Dihydroxy-2'-methoxyacetophenone 6'-glucoside
1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane
C12H24O4Si4 (344.07516239999995)
Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
2,6-DIMETHYL-4-(3-NITRO-PHENYL)-PYRIDINE-3,5-DICARBOXYLIC ACID DIMETHYL ESTER
(1S,2S)-1,2-Bis(4-Methoxyphenyl)ethylenediamine dihydrochloride
C16H22Cl2N2O2 (344.10582519999997)
4-methylaminophenol, sulfuric acid
C14H20N2O6S (344.10420200000004)
Nifurquinazol
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
4-(2-MORPHOLINOETHOXY)NAPHTHALEN-1-AMINE DIHYDROCHLORIDE
C16H22Cl2N2O2 (344.10582519999997)
2,4,6,8-Tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
C12H24O4Si4 (344.07516239999995)
1,2,3-trifluoro-5-[4-(2-fluoro-4-propylphenyl)phenyl]benzene
4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)benzaldehyde
Urea, N-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]- (9CI)
4-(4-fluorophenylsulphonyl)-1-(tert-butyloxycarbonyl)piperazine
C15H21FN2O4S (344.12059980000004)
(S)-3-(2-Chloro-6-Methylsulfanyl-pyridin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranosyl fluoride
2-[(3,5-dimethyl-4-nitropyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
METHYL 3-AMINO-4-[(1-BENZYL-2-METHOXY-2-OXOETHYL)AMINO]-4-OXOBUTANOATE HYDROCHLORIDE
C15H21ClN2O5 (344.11389260000004)
2-[[3-(Phenylmethoxy)-2-pyridinyl]methyl]-1H-isoindole-1,3(2H)-dione
Benzoic acid, 4-[[[(6S)-2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]-
[5-(2-CHLORO-ACETYL)-10,11-DIHYDRO-5 H-DIBENZO[ B , F ]AZEPIN-3-YL]-CARBAMIC ACID METHYL ESTER
C18H17ClN2O3 (344.09276420000003)
Clorotepine
C19H21ClN2S (344.11138960000005)
C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Rhodamine 123 free base
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide
2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
2-[(5,6-Dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol
N2-(3-fluorophenyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine
C15H13FN6O3 (344.10331199999996)
(E)-9-hydroxy-N-(2-hydroxybenzylidene)-9H-fluorene-9-carbohydrazide
6-Benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone
C18H11F3N2O2 (344.07725819999996)
alpha-(4-(6-Methyl-2-benzothiazolyl)phenylimino)-O-cresol
N-[7-[1-(3-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(1Z)-1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide;hydrochloride
2-[(5E)-5-(4,6-dimethoxy-1H-1,3,5-triazin-2-ylidene)cyclopenta-1,3-dien-1-yl]-4,6-dimethoxy-1,3,5-triazine
Thiamine phosphoric acid ester
C12H17N4O4PS (344.07080920000004)
D018977 - Micronutrients > D014815 - Vitamins
7-Methoxy-8-[1-(methylsulfonyl)-1H-pyrazol-4-YL]naphthalene-2-carboximidamide
(2s,3s)-3-Formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid
5-Aminocarbonyl-3-nitrophenyl-alpha-D-galactopyranose
C13H16N2O9 (344.08557659999997)
N1-(5-Phospho-alpha-ribosyl)-5-methylbenzimidazole
C13H17N2O7P (344.07733420000005)
2-Fluoro-2-deoxy-beta-D-galactopyranosyl-beta-D-glucopyranose
Xanthomicrol
A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 8 and hydroxy groups at positions 5 and 4.
Euptailin
Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities. Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities. Eupatilin, a lipophilic flavonoid isolated from Artemisia argyi Lévl. et Van., is a PPARα agonist, and possesses anti-apoptotic, anti-oxidative and anti-inflammatory activities.
3-(Toluene-4-sulfonyl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
1-Oxo-1lambda4-thiacyclotridecane-3,4,5,6,8,10,11,12-octol
(2S,3R)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxybutanoate
4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methyl-formylamino]benzoic acid
(2S)-4-[(E)-2-(5,6-dihydroxy-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoic acid
3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
C15H16N6S2 (344.08778159999997)
2-[[3-[(2-ethoxy-2-oxoethyl)thio]-5-oxo-2H-1,2,4-triazin-6-yl]amino]acetic acid butyl ester
C13H20N4O5S (344.11543500000005)
(-)-TRANS-45-BIS(IODOMETHYL)-2,2-DIMETHYL-13-DIOXOLANE
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-4-triazolecarboxylic acid ethyl ester
N-(1H-benzimidazol-2-yl)-4-(dimethylsulfamoyl)benzamide
N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide
N-(4-methoxyphenyl)carbamic acid (9-fluorenylideneamino) ester
methyl (4R,4aS)-4-(acetyloxy)-8-hydroxy-6-methyl-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate
N-[(1,2-dimethyl-5-indolyl)methyl]-4-methoxybenzenesulfonamide
N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
N-[(3,5-dimethoxyanilino)-sulfanylidenemethyl]-3-phenylpropanamide
8-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
3,5-dimethoxy-N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
2-nitro-N-{[5-(4-morpholinyl)-2-furyl]methylene}benzohydrazide
N-(4-methoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-phenylacetamide
1-Tert-butyl-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-pyrazolo[3,4-d]pyrimidinone
2-(2-Chlorophenoxy)-N-[8-methyl-2,3-dihydro-4H-chromen-4-ylidene]acetohydrazide
C18H17ClN2O3 (344.09276420000003)
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(3-methoxyphenyl)acetamide
2-acetamido-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester
2-mercapto-6,7,8-trimethoxy-3-phenylquinazolin-4(3H)-one
C17H16N2O4S (344.08307360000003)
N-(2-furanylmethyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-prop-2-ynylacetamide
[(1R,2aR,8bR)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aS,8bS)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aR,8bR)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
6-(5-Ethyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[4-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] hydrogen sulfate
C14H20N2O6S (344.10420200000004)
3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxybenzoyl)oxyoxane-2-carboxylic acid
6-(4-Ethyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-(1-Hydroxy-4-oxocyclohexa-2,5-dien-1-yl)-5,6,7-trimethoxychromen-4-one
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexanoate
C12H25O9P (344.12361300000003)
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] propanoate
C11H21O10P (344.08722960000006)
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] propanoate
C11H21O10P (344.08722960000006)
Cirsilineol
Cirsilineol is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3 and hydroxy groups at positions 5 and 4 respectively. It has a role as a plant metabolite and an antineoplastic agent. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a flavone. Cirsilineol is a natural product found in Thymus herba-barona, Salvia tomentosa, and other organisms with data available. See also: Tangerine peel (part of). A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3 and hydroxy groups at positions 5 and 4 respectively.
Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate
thiamine(1+) monophosphate(1-)
C12H17N4O4PS (344.07080920000004)
An ammonium betaine that is the conjugate base of thiamine(1+) monophosphate arising from the deprotonation of one of the phosphate hydroxy groups.
6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
7-methoxytricin
A trimethoxyflavone that is tricin in which the hydroxy group at position 7 has been replaced by a methoxy group. It has been isolated from the stems of Sinocalamus affinis.
MPT0E028
C17H16N2O4S (344.08307360000003)
MPT0E028 is an orally active and selective HDAC inhibitor with IC50s of 53.0 nM, 106.2 nM, 29.5 nM for HDAC1, HDAC2 and HDAC6, respectively[1]. MPT0E028 reduces the viability of B-cell lymphomas by inducing apoptosis and possesses potent direct Akt targeting ability and reduces Akt phosphorylation in B-cell lymphoma. MPT0E028 has good anticancer activity[2].
2,4-dihydroxy-6-(hydroxymethyl)-8-(2,3,4,5-tetrahydroxypentyl)pteridin-7-one
(1s,4ar,7ar)-4a-hydroxy-7-methyl-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one
1,2-dihydroxy-3,5,8-trimethoxy-6-methylanthracene-9,10-dione
5-hydroxy-3-(3-hydroxy-2-methoxyphenyl)-6,7-dimethoxychromen-4-one
4-(3,4-dihydroxyphenyl)-5,7,8-trimethoxychromen-2-one
methyl 4-hydroxy-6-(2-hydroxyethyl)-8-methoxy-9-oxoxanthene-3-carboxylate
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxybenzoic acid
(12r)-2,4,7-trihydroxy-8,12,13,13-tetramethyl-3,11-dioxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1,4,7,9(16),10(14)-pentaene-6,15-dione
(2s,3r,5r)-5-[(1r,3z)-1-chlorohex-3-en-5-yn-1-yl]-2-[(1z,3r)-3-chloropent-1-en-1-yl]oxolan-3-yl acetate
C17H22Cl2O3 (344.09459219999997)
n-{3-[(2-hydroxyacetyl)oxy]-8-(hydroxymethyl)-10h-phenoxazin-2-yl}ethanimidic acid
3,8-dihydroxy-1,2,5-trimethoxy-6-methylanthracene-9,10-dione
3-[3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enoic acid
(5r,6r)-3-[(r)-2-[(1-hydroxyethylidene)amino]ethanesulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C14H20N2O6S (344.10420200000004)