Exact Mass: 360.1150236
Exact Mass Matches: 360.1150236
Found 500 metabolites which its exact mass value is equals to given mass value 360.1150236,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rosmarinic acid
Rosmarinic acid is an ester of caffeic acid and 3,4-dihydroxyphenyllactic acid. It is commonly found in species of the Boraginaceae and the subfamily Nepetoideae of the Lamiaceae. It is a red-orange powder that is slightly soluble in water, but well soluble is most organic solvents. Rosmarinic acid is one of the polyphenolic substances contained in culinary herbs such as perilla (Perilla frutescens L.), rosemary (Rosmarinus officinalis L.), sage (Salvia officinalis L.), mint (Mentha arvense L.), and basil (Ocimum basilicum L.). These herbs are commonly grown in the garden as kitchen herbs, and while used to add flavor in cooking, are also known to have several potent physiological effects (PMID: 12482446, 15120569). BioTransformer predicts that rosmarinic acid is a product of methylrosmarinic acid metabolism via a hydrolysis-of-carboxylic-acid-ester-pattern1 reaction occurring in humans and human gut microbiota and catalyzed by the liver carboxylesterase 1 (P23141) enzyme (PMID: 30612223). (R)-rosmarinic acid is a stereoisomer of rosmarinic acid having (R)-configuration. It has a role as a plant metabolite and a geroprotector. It is a conjugate acid of a (R)-rosmarinate. It is an enantiomer of a (S)-rosmarinic acid. Rosmarinic acid is a natural product found in Dimetia scandens, Scrophularia scorodonia, and other organisms with data available. See also: Rosemary Oil (part of); Comfrey Root (part of); Holy basil leaf (part of) ... View More ... D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Isolated from rosemary, mint, sage, thyme, lemon balm and other plants D002491 - Central Nervous System Agents > D000700 - Analgesics A stereoisomer of rosmarinic acid having (R)-configuration. D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Acquisition and generation of the data is financially supported in part by CREST/JST. Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively. Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively.
Irigenin
Irigenin, also known as 5,7,3-trihydroxy-6,4,5-trimethoxyisoflavone, is a member of the class of compounds known as 3-hydroxy,4-methoxyisoflavonoids. 3-hydroxy,4-methoxyisoflavonoids are isoflavonoids carrying a methoxy group attached to the C4 atom, as well as a hydroxyl group at the C3-position of the isoflavonoid backbone. Thus, irigenin is considered to be a flavonoid lipid molecule. Irigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Irigenin can be synthesized from isoflavone. Irigenin can also be synthesized into iridin. Irigenin can be found in lima bean, which makes irigenin a potential biomarker for the consumption of this food product. Irigenin is an O-methylated isoflavone, a type of flavonoid. It can be isolated from the rhizomes of the leopard lily (Belamcanda chinensis), and Iris kemaonensis . Irigenin is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3 and methoxy groups at positions 6, 4 and 5 respectively. It has a role as a plant metabolite. It is a hydroxyisoflavone and a member of 4-methoxyisoflavones. It is functionally related to an isoflavone. Irigenin is a natural product found in Iris milesii, Iris tectorum, and other organisms with data available. Irigenin is a is a lead compound, and mediates its anti-metastatic effect by specifically and selectively blocking α9β1 and α4β1 integrins binding sites on C-C loop of Extra Domain A (EDA). Irigenin shows anti-cancer properties. It sensitizes TRAIL-induced apoptosis via enhancing pro-apoptotic molecules in gastric cancer cells[1]. Irigenin is a is a lead compound, and mediates its anti-metastatic effect by specifically and selectively blocking α9β1 and α4β1 integrins binding sites on C-C loop of Extra Domain A (EDA). Irigenin shows anti-cancer properties. It sensitizes TRAIL-induced apoptosis via enhancing pro-apoptotic molecules in gastric cancer cells[1].
Fenofibrate
C20H21ClO4 (360.11282960000005)
Fenofibrate is a chlorobenzophenone that is (4-chlorophenyl)(phenyl)methanone substituted by a [2-methyl-1-oxo-1-(propan-2-yloxy)propan-2-yl]oxy group at position 1 on the phenyl ring. It has a role as an antilipemic drug, an environmental contaminant, a xenobiotic and a geroprotector. It is a chlorobenzophenone, a member of monochlorobenzenes, an aromatic ether and an isopropyl ester. It is functionally related to a benzophenone. Fenofibrate is a fibric acid derivative like [clofibrate] and [gemfibrozil]. Fenofibrate is used to treat primary hypercholesterolemia, mixed dyslipidemia, severe hypertriglyceridemia. Fenofibrate was granted FDA approval on 31 December 1993. Fenofibrate is a Peroxisome Proliferator Receptor alpha Agonist. The mechanism of action of fenofibrate is as a Peroxisome Proliferator-activated Receptor alpha Agonist. Fenofibrate is a fibric acid derivative used in the therapy of hypertriglyceridemia and dyslipidemia. Fenofibrate therapy is associated with mild and transient serum aminotransferase elevations and with rare instances of acute liver injury, which can be severe and prolonged and lead to significant hepatic fibrosis. Fenofibrate is a synthetic phenoxy-isobutyric acid derivate and prodrug with antihyperlipidemic activity. Fenofibrate is hydrolyzed in vivo to its active metabolite fenofibric acid that binds to and activates peroxisome proliferator activated receptor alpha (PPARalpha), resulting in the activation of lipoprotein lipase and reduction of the production of apoprotein C-III, an inhibitor of lipoprotein lipase activity. Increased lipolysis and a fall in plasma triglycerides, in turn, leads to the modification of the small, dense low density lipoporotein (LDL) particles into larger particles that are catabolized more rapidly due to a greater affinity for cholesterol receptors. In addition, activation of PPARalpha also increases the synthesis of apoproteins A-I, A-II, and high density lipoprotein (HDL)-cholesterol. Overall, fenofibrate reduces total cholesterol, LDL cholesterol, apolipoprotein B, total triglycerides and triglyceride rich lipoprotein (VLDL) while increasing HDL cholesterol. An antilipemic agent which reduces both cholesterol and triglycerides in the blood. An antilipemic agent which reduces both CHOLESTEROL and TRIGLYCERIDES in the blood. See also: Fenofibric Acid (has active moiety). Fenofibrate is only found in individuals that have used or taken this drug. It is an antilipemic agent which reduces both cholesterol and triglycerides in the blood. [PubChem]Fenofibrate exerts its therapeutic effects through activation of peroxisome proliferator activated receptor a (PPARa). This increases lipolysis and elimination of triglyceride-rich particles from plasma by activating lipoprotein lipase and reducing production of apoprotein C-III. The resulting fall in triglycerides produces an alteration in the size and composition of LDL from small, dense particles, to large buoyant particles. These larger particles have a greater affinity for cholesterol receptors and are catabolized rapidly. Fenofibrate is mainly used for primary hypercholesterolemia or mixed dyslipidemia. Fenofibrate may slow the progression of diabetic retinopathy and the need for invasive treatment such as laser therapy in patients with type 2 diabetes with pre-existing retinopathy.[11][12][13] It was initially indicated for diabetic retinopathy in patients with type 2 diabetes and diabetic retinopathy in Australia.[14] The large scale, international FIELD and ACCORD-Eye trials found that fenofibrate therapy reduced required laser treatment for diabetic retinopathy by 1.5\\% over 5 years, as well as reducing progression by 3.7\\% over 4 years. [11][12][13][15] Further studies looking at the role of fenofibrate in the progression of diabetic retinopathy as the primary outcome is warranted to understand its role in this condition. Although no statistically significant cardiovascular risk benefits were identified in these trials, benefits may accrue to add on therapy to patients with high triglyceride dyslipidaemia currently taking statin medications.[16][17] Fenofibrate appears to reduce the risk of below ankle amputations in patients with Type 2 diabetes without microvascular disease.[18] The FIELD study reported that fenofibrate at doses of 200 mg daily, reduced the risk for any amputation by 37\\% independent of glycaemic control, presence or absence of dyslipidaemia and its lipid-lowering mechanism of action.[18][19] However, the cohort of participants who underwent amputations were more likely to have had previous cardiovascular disease (e.g. angina, myocardial infarction), longer duration of diabetes and had baseline neuropathy.[18][19] Fenofibrate has an off-label use as an added therapy of high blood uric acid levels in people who have gout.[20] It is used in addition to diet to reduce elevated low-density lipoprotein cholesterol (LDL), total cholesterol, triglycerides (TG), and apolipoprotein B (apo B), and to increase high-density lipoprotein cholesterol (HDL) in adults with primary hypercholesterolemia or mixed dyslipidemia. Fenofibrate is a selective PPARα agonist with an EC50 of 30 μM. Fenofibrate also inhibits human cytochrome P450 isoforms, with IC50s of 0.2, 0.7, 9.7, 4.8 and 142.1 μM for CYP2C19, CYP2B6, CYP2C9, CYP2C8, and CYP3A4, respectively.
Acalyphin
C14H20N2O9 (360.11687500000005)
Acalyphin is a member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond. It has a role as a plant metabolite. It is a beta-D-glucoside, a tetrahydropyridine, an enol ether, a delta-lactam and an aliphatic nitrile. A member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond.
chrysoplenol D
3,4,5-trihydroxy-3,6,7-trimethoxyflavone is a trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin. It has a role as an antineoplastic agent and a metabolite. It is a trihydroxyflavone and a trimethoxyflavone. It is functionally related to a quercetagetin. Chrysosplenol D is a natural product found in Psiadia viscosa, Chrysosplenium oppositifolium, and other organisms with data available. See also: Vitex negundo fruit (part of). Chrysosplenol D is a methoxy flavonoid that induces ERK1/2-mediated apoptosis in triple negative human breast cancer cells. Chrysosplenol D also exhibits anti-inflammatory and moderate antitrypanosomal activities[1][2][3][4]. Chrysosplenol D is a methoxy flavonoid that induces ERK1/2-mediated apoptosis in triple negative human breast cancer cells. Chrysosplenol D also exhibits anti-inflammatory and moderate antitrypanosomal activities[1][2][3][4].
Nitrendipine
Nitrendipine is only found in individuals that have used or taken this drug. It is a calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive. [PubChem]By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Nitrendipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents CONFIDENCE standard compound; INTERNAL_ID 8498 CONFIDENCE standard compound; INTERNAL_ID 2309 D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Deoxyloganic acid
8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
RUSTAIYAN A
Goyazensolide
Acerosin
Acerosin is found in citrus. Acerosin is isolated from fruit peel of mandarin orange (Citrus reticulata
Chrysosplenol
Chrysosplenol, also known as quercetagetin 3,7,3-trimethyl ether or 4,5,6-trihydroxy-3,3,7-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, chrysosplenol is considered to be a flavonoid lipid molecule. Chrysosplenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chrysosplenol can be found in german camomile, which makes chrysosplenol a potential biomarker for the consumption of this food product.
Oxyanin A
A trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 2 and 5 and methoxy groups at positions 3, 7 and 4 respectively.
Majoranin
Majoranin, also known as 5,6,4-trihydroxy-7,8,3-trimethoxyflavone or mucroflavone b, 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, majoranin is considered to be a flavonoid lipid molecule. Majoranin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Majoranin can be found in a number of food items such as peppermint, herbs and spices, mentha (mint), and fats and oils, which makes majoranin a potential biomarker for the consumption of these food products. Majoranin is found in common thyme. Majoranin is isolated from Majorana hortensis (sweet majoram), and Thymus vulgaris (thyme).
2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-2,3-dihydro-4H-chromen-4-one
Arcapillin
A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 2, 4 and 5 and methoxy groups at positions 5, 6 and 7 respectively.
Versiconol
A polyphenol that is 9,10-anthraquinone substituted at positions 1, 3, 6 and 8 by hydroxy groups and at position 2 by a 1,4-dihydroxybutan-2-yl group.
Valacyclovir hydrochloride
C13H21ClN6O4 (360.13127360000004)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Valacyclovir hydrochloride (Valaciclovir hydrochloride) is an orally active antiviral agent for herpes simplex, herpes zoster, and herpes B. Valacyclovir hydrochloride inhibits HSV-1 W (50=2.9 μg/ml). Valacyclovir hydrochloride is a proagent of Aciclovir (HY-17422) [1][2][3][4][5].
8-Epideoxyloganic acid
8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
Rosmarinic acid
The (S)-stereoisomer of rosmarinic acid. The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.731 Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively. Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively.
Jaceidin
Jaceidin is an ether and a member of flavonoids. Jaceidin is a natural product found in Centaurea bracteata, Pentanema britannicum, and other organisms with data available. Jaceidin is found in fruits. Jaceidin is found in buds of Prunus avium (wild cherry). Found in buds of Prunus avium (wild cherry)
Sudachitin
Isolated from Citrus subspecies and peppermint Mentha piperita. Sudachitin is found in peppermint and citrus. Sudachitin is found in citrus. Sudachitin is isolated from Citrus species and peppermint Mentha piperita.
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4'-glucoside
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside is found in fruits. 2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside is a constituent of the roots of Phyllanthus emblica (emblic). Constituent of the roots of Phyllanthus emblica (emblic). 2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside is found in fruits.
3,5,6-Trihydroxy-3',4',7-trimethoxyflavone
3,5,6-Trihydroxy-3,4,7-trimethoxyflavone is found in citrus. 3,5,6-Trihydroxy-3,4,7-trimethoxyflavone is a constituent of fingered citron fruits (Citrus medica). Constituent of fingered citron fruits (Citrus medica). 3,5,6-Trihydroxy-3,4,7-trimethoxyflavone is found in citrus.
2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside
Constituent of the fruit of Anethum graveolens (dill). 2-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4-glucoside is found in dill. 2-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4-glucoside is a constituent of the fruit of Anethum graveolens (dill).
6'-Methoxypolygoacetophenoside
6-Methoxypolygoacetophenoside is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron)
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside is found in herbs and spices. 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside is found in herbs and spices.
Heteroflavanone A
Heteroflavanone A is found in fruits. Heteroflavanone A is isolated from the root bark of Artocarpus heterophyllus (jackfruit). Isolated from the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone A is found in jackfruit and fruits.
Sideritiflavone
Isolated from Mentha piperita. Sideritiflavone is found in spearmint, peppermint, and herbs and spices. Sideritiflavone is found in herbs and spices. Sideritiflavone is isolated from Mentha piperita.
Agamanone
Agamanone is found in green vegetables. Agamanone is isolated from the famine food Agave americana. Isolated from the famine food Agave americana. Agamanone is found in green vegetables.
Gibberellin A59
Gibberellin A59 (GA59) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A59 is found in pulses. Gibberellin A59 is a constituent of Canavalia gladiata (sword bean). Constituent of Canavalia gladiata (sword bean). Gibberellin A59 is found in pulses.
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside is found in herbs and spices. 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside is found in herbs and spices.
Edulisin IV
Edulisin IV is found in green vegetables. Edulisin IV is a constituent of Angelica edulis. Constituent of Angelica edulis. Edulisin IV is found in green vegetables.
3-Methoxy-4-hydroxyphenylglycol glucuronide
3-Methoxy-4-hydroxyphenylglycol (HMPG) glucuronide is the main form of HMPG in human urine. HMPG is a major metabolite of norepinephrine that is found in urine and cerebrospinal fluid (CSF). It has been determined that 25-50\\% of it is derived from brain norepinephrine. The conjugated form is reported to be derived mainly from the metabolism of systemic norepinephrine. (PMID 528605) [HMDB] 3-Methoxy-4-hydroxyphenylglycol (HMPG) glucuronide is the main form of HMPG in human urine. HMPG is a major metabolite of norepinephrine that is found in urine and cerebrospinal fluid (CSF). It has been determined that 25-50\\% of it is derived from brain norepinephrine. The conjugated form is reported to be derived mainly from the metabolism of systemic norepinephrine. (PMID 528605).
Dityrosine
Dityrosine is a fluorescent molecule formed as a result of normal posttranslational processing. In many structural proteins, dityrosine confers resistance to proteolysis and physicochemical trauma as a stabilizing crosslink. Dityrosine has also been found in oxidative/nitrative stress under a variety of conditions and biological systems. In this regard, it has been used as an important biomarker for oxidatively modified proteins during UV and gamma-irradiation, aging, and exposure to oxygen free radicals, nitrogen dioxide, peroxynitrite, and lipid hydroperoxides. Renewed interest in dityrosine and other tyrosine oxidation products as clinical indicators of oxidative modification has driven the development of important techniques for the specific analysis and quantification of these molecules. The presence of elevated levels of dityrosine in mammalian tissue and urine samples has been measured by chromatographic separation followed by mass spectrometry GC-MS and HPLC-MS/MS. Increases in dityrosine levels have been associated with pathologies such as eye cataracts, atherosclerosis, acute inflammation, and Alzheimers disease. The continued development of, and increased accessibility to, improved mass spectrometric instrumentation will expand the capability, feasibility, and sensitivity with which specific biomarkers like dityrosine can be measured. (PMID: 17019703) [HMDB] Dityrosine is a fluorescent molecule formed as a result of normal posttranslational processing. In many structural proteins, dityrosine confers resistance to proteolysis and physicochemical trauma as a stabilizing crosslink. Dityrosine has also been found in oxidative/nitrative stress under a variety of conditions and biological systems. In this regard, it has been used as an important biomarker for oxidatively modified proteins during UV and gamma-irradiation, aging, and exposure to oxygen free radicals, nitrogen dioxide, peroxynitrite, and lipid hydroperoxides. Renewed interest in dityrosine and other tyrosine oxidation products as clinical indicators of oxidative modification has driven the development of important techniques for the specific analysis and quantification of these molecules. The presence of elevated levels of dityrosine in mammalian tissue and urine samples has been measured by chromatographic separation followed by mass spectrometry GC-MS and HPLC-MS/MS. Increases in dityrosine levels have been associated with pathologies such as eye cataracts, atherosclerosis, acute inflammation, and Alzheimers disease. The continued development of, and increased accessibility to, improved mass spectrometric instrumentation will expand the capability, feasibility, and sensitivity with which specific biomarkers like dityrosine can be measured. (PMID: 17019703).
3,5,8-Trihydroxy-3',4',7-trimethoxyflavone
3,5,8-Trihydroxy-3,4,7-trimethoxyflavone is found in citrus. 3,5,8-Trihydroxy-3,4,7-trimethoxyflavone is a constituent of citron peel (Citrus medica). Constituent of citron peel (Citrus medica). 3,4,7-Trimethylgossypetin is found in citrus.
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]oxane-2-carboxylic acid
4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole
2,2'-Bityrosine
Benzoporphyrin
Cambinol
Eddha
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
LL-dityrosine
5-O-Ethyl 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
Isodityrosine
Isodityrosine belongs to tyrosine and derivatives class of compounds. Those are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Isodityrosine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Isodityrosine can be found in potato, which makes isodityrosine a potential biomarker for the consumption of this food product.
Invert sugar
Inverted or invert sugar syrup is a mixture of glucose and fructose; it is obtained by splitting sucrose into these two components. Compared with its precursor, sucrose, inverted sugar is sweeter and its products tend to remain more moist and are less prone to crystallisation. Inverted sugar is therefore valued by bakers, who refer to the syrup as trimoline or invert syrup. Invert sugar is found in fig and black elderberry. C - Cardiovascular system > C05 - Vasoprotectives > C05B - Antivaricose therapy > C05BB - Sclerosing agents for local injection D001697 - Biomedical and Dental Materials > D002326 - Cariogenic Agents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
Glucosyringic acid
Glucosyringic acid, also known as glucosyringate, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Glucosyringic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Glucosyringic acid can be found in fennel, which makes glucosyringic acid a potential biomarker for the consumption of this food product.
Isothymonin
Isothymonin 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, isothymonin is considered to be a flavonoid lipid molecule. Isothymonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isothymonin can be found in common thyme and spearmint, which makes isothymonin a potential biomarker for the consumption of these food products.
indole-3-acetyl-tryptophan
C21H18N3O3 (360.13480979999997)
Indole-3-acetyl-tryptophan is also known as iaa-trp. Indole-3-acetyl-tryptophan is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-tryptophan can be found in a number of food items such as giant butterbur, cassava, skunk currant, and mulberry, which makes indole-3-acetyl-tryptophan a potential biomarker for the consumption of these food products.
5,7,3-rihydroxy-6,4,5-rimethoxyflavone
5,7,3-Trihydroxy-6,4,5-trimethoxyflavone is a natural product found in Eupatorium capillifolium, Artemisia kurramensis, and other organisms with data available. 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone is a methylated flavones from Artemisia frigida. 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone is a methylated flavones from Artemisia frigida.
Barbatic acid
Origin: Microbe, Carboxylic acids
9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin
Elaeocyanidin
Austradiol acetate
5,7,3-Trihydroxy-4,5-dimethoxy-6,8-di-C-methylflavanone
Latinone
Latinone is a natural product found in Dalbergia cochinchinensis and Dalbergia latifolia with data available.
[3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]- 2,3,3a,4,5,6,7,11a-Octahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
5,7-Dihydroxy-8-methoxy-6-methyl-3-(2-hydroxy-4-methoxybenzyl)chroman-4-one
6a,12a-Dihydro-6,9,11-trihydroxy-2,3-dimethoxy-[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Soforanarin B,6,4,5-Trihydroxy-5,7,3-trimethoxyisoflavone
Epideoxyloganic acid
8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
Pyranochromene
6-Methoxytricin
6-Methoxytricin is a natural product found in Conoclinium coelestinum, Eupatorium capillifolium, and other organisms with data available.
5,7,3-Trihydroxy-6,4,5-trimethoxyflavone
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone is a methylated flavones from Artemisia frigida. 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone is a methylated flavones from Artemisia frigida.
5,7,3-Trihydroxy-2,4,5-trimethoxyflavone
Chrysosplenol D
Chrysosplenol D is a methoxy flavonoid that induces ERK1/2-mediated apoptosis in triple negative human breast cancer cells. Chrysosplenol D also exhibits anti-inflammatory and moderate antitrypanosomal activities[1][2][3][4]. Chrysosplenol D is a methoxy flavonoid that induces ERK1/2-mediated apoptosis in triple negative human breast cancer cells. Chrysosplenol D also exhibits anti-inflammatory and moderate antitrypanosomal activities[1][2][3][4].
Centaureidin
A trihydroxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6 and 4 have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii and Athroisma proteiforme.
3,7,8-Trimethylgossypetin
Gossypetin 3,8,3-trimethyl ether
Myricetin 3,7,4-trimethyl ether
Myricetin 3,7,3-trimethyl ether
5,3,5-Trihydroxy-6,7,4-trimethoxyflavone
5,7,4-Trihydroxy-2,3,5-trimethoxyflavone
7,4,5-Trihydroxy-3,5,3-trimethoxyflavone
Acerosin
A trihydroxyflavone that is 5,7,3-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4 respectively.
Chrysosplenol C
A trimethoxyflavone that is the 3,7,3-trimethyl ether derivative of quercetagetin.
Heteroflavanone A
Thymonin
A trimethoxyflavone that is flavone substituted by methoxy groups at positions 7, 8 and 3 and hydroxy groups at positions 5, 6 and 4.
Irigenin
Irigenin is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3 and methoxy groups at positions 6, 4 and 5 respectively. It has a role as a plant metabolite. It is a hydroxyisoflavone and a member of 4-methoxyisoflavones. It is functionally related to an isoflavone. Irigenin is a natural product found in Iris milesii, Iris tectorum, and other organisms with data available. A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3 and methoxy groups at positions 6, 4 and 5 respectively. Irigenin is a is a lead compound, and mediates its anti-metastatic effect by specifically and selectively blocking α9β1 and α4β1 integrins binding sites on C-C loop of Extra Domain A (EDA). Irigenin shows anti-cancer properties. It sensitizes TRAIL-induced apoptosis via enhancing pro-apoptotic molecules in gastric cancer cells[1]. Irigenin is a is a lead compound, and mediates its anti-metastatic effect by specifically and selectively blocking α9β1 and α4β1 integrins binding sites on C-C loop of Extra Domain A (EDA). Irigenin shows anti-cancer properties. It sensitizes TRAIL-induced apoptosis via enhancing pro-apoptotic molecules in gastric cancer cells[1].
(3R,6aR,7S,12aS)-5,6,6a,7,8-pentahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
(5RS,6RS)-5-[(beta-D-glucopyranosyloxy)methyl]-4,5,6,8-tetrahydro-6-methyl-1H,3H-pyrano[3,4-c]pyran-1-one|(5RS,6SR)-5-[(beta-D-glucopyranosyloxy)methyl]-4,5,6,8-tetrahydro-6-methyl-1H,3H-pyrano[3,4-c]pyran-1-one|swertiajaposide D|swertiajaposide E
5,8,9-trimethoxy-3H-naphtho(2,1,8-mna)xanthen-3-one|trimethyl ether of haemofluorone B
(3R,4S)-3,4,7,9,12-pentahydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6(2H)-one|laterixanthone
8-Desacylcentratherin-8-O-(2,3-epoxyisobutyrat)|8-Desacylcentratherin-8-O-<2,3-epoxyisobutyrat>
2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one
4-Methoxy-9-(2-oxo-5,5-dimethyl-1,3-dioxolane-4-ylmethoxy)-7H-furo[3,2-g][1]benzopyran-7-one
2-Hydroxy-4-[(2-hydroxy-3,6-dimethyl-4-methoxybenzoyl)oxy]-6-methylbenzoic acid methyl ester
6-(Hydroxymethyl)-1,3,5-trimethoxy-2,8-dihydroxy-9,10-anthraquinone
2,4,4,5-Tetra-Me ether-2,3,4,4,5,6-Hexahydroxychalcone|2,5-dihydroxy-4,3,4,6-tetramethoxy-trans-chalcone|2,5-Dihydroxy-4,3,4,6-tetramethoxy-trans-chalkon
semperoside|semperoside A|[2aS,4S,4aR,7R,7aS,7bS]-4-methyl-7-([2S,3R,4R,5R,6R]-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydropyran-2-yloxy)octahydro-2,6-dioxa-cyclopenta[cd]inden-1-one
2N-(3-xi-D-glucosyloxy-4-pyridon)-1-amino-propionsaeure
C14H20N2O9 (360.11687500000005)
(2E,4R,5S,6S,7R)-3-{7-hydroxy-4,6-dimethyl-4-(3-methylenepent-4-enyl)-[1,2,3]-trithiocan-5-yl}acrylic acid
C16H24O3S3 (360.08875140000004)
5,6,3-trihydroxy-7,8,4-trimethoxyflavone
A trihydroxyflavone that is 5,6,3-trihydroxyflavone further substituted by methoxy groups at positions 7, 8 and 4. Isolated from Crinum latifolium, it exhibits inhibitory effect on the tube-like formation of human umbilical vein endothelial cells (HUVECs).
luzonial A
An iridoid monoterpenoid that is hexahydro-1H-cyclopenta[c]furan substituted by hydroxy groups at positions 1 and 3a, a 3-oxopropen-2yl group at position 6 and a trans-4-coumaroyloxy moiety at position 4 (the 1S,3aS,4S,6S,6aS stereoisomer). Isolated from the leaves of Viburnum luzonicum, it exhibits antineoplastic activity.
(7alpha,7alpha,8alpha,8alpha)-9-oxo-7,9,7,9-diepoxylignan-3,4,3,4,5-pentaol|syzygiresinol B
3,4,5-trimethoxybenzyl alcohol-7-O-beta-D-glucopyranoside|3,4,5-trimethoxybenzyl beta-D-glucopyranoside|nikoenoside
6-(Hydroxymethyl)-1,2,5-trimethoxy-3,8-dihydroxy-9,10-anthraquinone
Mimoside|Mimosine-O-??-D-glucoside
C14H20N2O9 (360.11687500000005)
5beta-hydroxy-6alpha-methacryloyloxy-Delta4,15-iso-goyazensanolide
5-Hydroxy-7,8-dimethoxy-6-methyl-3-(3,4-dihydroxybenzyl)-2,3-dihydro-4H-1-benzopyran-4-one
3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7-methoxychroman-4-one
4-methoxy-5-hydroxymethylbenzoic 3-O-beta-D-glucopyranoside
(3S,4S,5R,7R)-5-(9-methylprop-8-enyl)-1,6-dioxabicyclo[3,2,0]heptan-2-one-7-(hydroxymethyl)-12-O-beta-D-glucopyranoside|aruncide C
2-(2,5-dihydroxy-3,4-dimethoxy-phenyl)-5-hydroxy-7-methoxy-chromen-4-one
n-butyl 3,4-dihydroxy-5-(hydroxymethyl)-4-O-[5-(hydroxymethyl)furan-2-yl]tetrahydrofuran-2-carboxylate
3-Hydroxy-3-(4-hydroxybenzyl)-5,6,7-trimethoxy-2H-1-benzopyran-4(3H)-one
(3S)-7,8,4??6?-tetramethoxyisoflavan-2?,5?-quinone
5,3,5-trihydroxy-6,7,2-trimethoxyflavone|stenocepflavone
beta-D-glucopyranosyl 7-carboxy-2-methyl-2E,4E-octadienate
5,6,7-trihydroxy-3,4,5-trimethoxy-flavone|5,6,7-trihydroxy-3,4,5-trimethoxyflavone
3?,5?-dimethoxy-6,8-dimethyl-4?,5,7-trihydroxyflavanone
methyl 4-O-beta-D-glucopyranosy-5-hydroxy-3-methoxylbenzoate
5,4-dihydroxystilbene-3-O-alpha-L-arabinopyranoside|rumexoid
4-(2-Methoxy-4-hydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid
5-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-6,7-dimethoxychroman-4-one
(S,S)-form---Isodityrosine|Dihydrochloride-S,S---Isodityrosine|Isodityrosine
methyl 5-((2E)-1-hydroxy-3-phenylprop-2-enylidene)-1,2,3-trimethoxy-4-oxocyclopent-2-enecarboxylate|stigmahamone I
4,5,6-trihydroxy-2,5,7-trimethoxyflavone|isoarcapillin
3,5,7-Tri-Me ether-2,3,5,5,6,7-Hexahydroxyflavone|6,2,5-trihydroxy-3,5,7-trimethoxyflavone
(-)-3-O-Demethyl-5-hydroxymatairesinol|(8R,8R)-(-)-3-O-demethyl-5-hydroxymatairesinol
3-(3,4-dihydroxyphenyl)-(2R)-lactic acid 4-O-beta-D-glucopyranoside|4-O-beta-D-Glucopyranoside-(R)-2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoic acid
junipediol A 2-O-beta-D-glucopyranoside|junipediol A 4-O-beta-D-glucopyranoside|Junipediol A 4-O-??-D-glucopyranoside
2-O-beta-D-glucosyltrideca-11E-en-3,5,7,9-tetrayn-1,2-diol
4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole
D004791 - Enzyme Inhibitors
7,3,5-trimethylmyricetin
A trimethoxyflavone that is myricetin in which the hydroxy groups at position 7, 3 and 5 have been replaced by methoxy groups.
1,4,5-trihydroxy-6,7,8-trimethoxy-2-methylanthraquinone
Barbatic_acid
Barbatic acid is a carbonyl compound. Benzoic acid, 2-hydroxy-4-((2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy)-3,6-dimethyl- is a natural product found in Alectoria ochroleuca, Cladonia rangiferina, and other organisms with data available.
Maltose monohydrate
Maltose monohydrate is the energy source for bacteria. Maltose monohydrate is the energy source for bacteria.
Deoxyloganic acid
Deoxyloganic acid is a glycoside and an iridoid monoterpenoid. 7-Methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid is a natural product found in Aria edulis and Incarvillea arguta with data available. Deoxyloganic acid is found in herbs and spices. Deoxyloganic acid is a constituent of Nepeta cataria (catnip). Constituent of Nepeta cataria (catnip). Deoxyloganic acid is found in tea and herbs and spices. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
Glucosyringicacid
Glucosyringic acid is a natural product found in Eupatorium chinense, Molineria crassifolia, and other organisms with data available.
Fenofibrate (Tricor, Trilipix)
C20H21ClO4 (360.11282960000005)
Fenofibrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=49562-28-9 (retrieved 2024-07-12) (CAS RN: 49562-28-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Fenofibrate is a selective PPARα agonist with an EC50 of 30 μM. Fenofibrate also inhibits human cytochrome P450 isoforms, with IC50s of 0.2, 0.7, 9.7, 4.8 and 142.1 μM for CYP2C19, CYP2B6, CYP2C9, CYP2C8, and CYP3A4, respectively.
nitrendipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
1-(4-Oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carbolin-3-ylcarboxylic acid
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxychromen-4-one
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
C19H20O7_Methyl 4,6-dihydroxy-6-methyl-3-oxo-3-(2-oxopropyl)-3H-spiro[1-benzofuran-2,1-cyclohex[4]ene]-2-carboxylate
C16H24O9_beta-D-Glucopyranoside, 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl
C19H20O7_2H-Benz[1,2]anthra[10,4a-b]oxirene-7,8(3H,12bH)-dione, 3a,4,5,6,7a,7b-hexahydro-2,3a,7b,12-tetrahydroxy-5-methyl
C19H20O7_Benz[a]anthracene-1,12-dione, 2,3,4,5,6,6a,7,12a-octahydro-5,6,6a,7,8-pentahydroxy-3-methyl-, (3R,6aR,7S,12aS)
(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-2-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-phenylprop-2-enoate
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000848426]
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one [IIN-based: Match]
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate [IIN-based: Match]
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid_major
(3R,6aR,7S,12aS)-5,6,6a,7,8-pentahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione_major
(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-2-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-phenylprop-2-enoate_major
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate_major
(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Rosmarinate
Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively. Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively.
(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-2-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,?]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-phenylprop-2-enoate
Gly Gly Asn Asn
Gly Asn Gly Asn
Gly Asn Asn Gly
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, mono(2-hydroxyethyl) ester
Asn Gly Gly Asn
Asn Gly Asn Gly
Asn Asn Gly Gly
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside
Gibberellin A59
6'-Methoxypolygoacetophenoside
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4'-glucoside
2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside
3,5,8-Trihydroxy-3,4,7-trimethoxyflavone
(3R,6aR,7S,12aS)-5,6,6a,7,8-Pentahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione
2,3a,7b,12-Tetrahydroxy-5-methyl-3a,4,5,6,7a,7b-hexahydro-2H-tetrapheno[6a,7-b]oxirene-7,8(3H,12bH)-dione
Elephantopin
Oxyanin B
A trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 6 and 3 and methoxy groups at positions 3, 7 and 4 respectively.
2-amino-3-nitro-4-(3-nitrophenyl)-6-phenylbenzonitrile
C19H12N4O4 (360.08585120000004)
2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid 6-benzyl ester 3-ethyl ester
C18H20N2O4S (360.11437200000006)
2,5-Furandione,dihydro-3-(triphenylphosphoranylidene)-
C22H17O3P (360.09152620000003)
Lactose
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pharmatose DCL 14 is an endogenous metabolite. α-Lactose (hydrate) (α-D-Lactose (hydrate)) is the principal carbohydrate in the milk of most mammals. α-Lactose (hydrate) consists of glucose and galactose and exists in the form of two anomers, α and β. α-Lactose (hydrate) has many uses in the food and pharmaceutical industries, such as a free-flowing or agglomerating agent, a diluent for pigments, flavors, or enzymes[1][2][3].
2H-1-Benzopyran-2-one,5,7-dimethoxy-3-(1-naphthalenylcarbonyl)-
Urea, N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]- (9CI)
2-(Chloromethyl)-4-fluoro-5-isopropyl-2-Methoxy-4- (trifluoroMethyl)-1,1-biphenyl
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)BENZENESULFONAMIDE
C17H21BN2O4S (360.1315016000001)
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Mapenterol hydrochloride
Mapenterol hydrochloride is a type of β2-adrenoceptor agonist[1].
PHENYL4,6-O-BENZYLIDENE-1-THIO-BETA-D-GLUCOPYRANOSIDE
C19H20O5S (360.10313900000006)
dipotassium,2-dodec-2-enylbutanedioate
C16H26K2O4 (360.11051560000004)
Methyl 2-[5-[3-(1-Naphthyloxy)phenyl]-2H-tetrazol-2-yl]acetate
C20H16N4O3 (360.12223459999996)
4(1H)-Pyridazinone, 6-methyl-3-(phenylmethoxy)-1-(3-(trifluoromethyl)p henyl)-
2-benzofuran-1,3-dione,5-prop-2-enoyloxypentyl prop-2-enoate
6-O-ALPHA-D-GALACTOPYRANOSYL-D-GLUCOSE MONOHYDRATE
Haletazole
C19H21ClN2OS (360.10630460000004)
C254 - Anti-Infective Agent > C514 - Antifungal Agent
1,3-Propanedione,1-[4-(benzoyloxy)-2-hydroxyphenyl]-3-phenyl-
2-acetamido-3,4,6-tri-o-acetyl-2-deoxy-d-glucohydroximo-1,5-lactone
C14H20N2O9 (360.11687500000005)
Ethyl 4-(4-piperidinylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxyl ate dihydrochloride
C15H22Cl2N4O2 (360.11197319999997)
9,9-Spirobi[fluoren]-2-ylboronic acid
C25H17BO2 (360.13215319999995)
3-((4-NITROPHENYL)AZO)-9H-CARBAZOLE-
C20H16N4O3 (360.12223459999996)
9,9-Spirobi[9H-fluoren]-4-ylboronic acid
C25H17BO2 (360.13215319999995)
(2R)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide,2,2,2-trifluoroacetic acid
Cambinol
Cambinol is a SIRT1 and SIRT2 inhibitor with IC50 values of 56 μM and 59 μM, respectively. Cambinol is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[1][2]. Cambinol is a SIRT1 and SIRT2 inhibitor with IC50 values of 56 μM and 59 μM, respectively. Cambinol is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[1][2].
4,5-Dimethylfluorescein
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
L-Tyrosine, O-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)-
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
N,2-dimethyl-N-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]ethanesulfonamide
C18H20N2O4S (360.11437200000006)
AIDS-026336
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively. Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively.
5,11,17,19-Tetrahydroxy-15-methyl-2-oxapentacyclo[9.8.0.01,3.04,9.012,17]nonadeca-4(9),5,7-triene-10,13-dione
2-Amino-3-[4-[2-hydroxy-5-(2-amino-3-oxo-3-hydroxypropyl)phenoxy]phenyl]propionic acid
3,5,7-Trihydroxy-3,4,5-trimethoxyflavone
A trimethoxyflavone that is myricetin in which the hydroxy groups at position 3, 4 and 5 have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare.
5-Hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9,11-dicarboxylic acid
2,2'-Bityrosine
2-Acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one
Luzonial B
An iridoid monoterpenoid that is hexahydro-1H-cyclopenta[c]furan substituted by hydroxy groups at positions 1 and 3a, a 3-oxopropen-2yl group at position 6 and a cis-4-coumaroyloxy moiety at position 4 (the 1S,3aS,4S,6S,6aS stereoisomer). Isolated from the leaves of Viburnum luzonicum, it exhibits antineoplastic activity.
N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
C14H12F4N4O3 (360.0845489999999)
N-(4-fluorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide
1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide
Methyl 4,5-dihydroxy-6-methyl-3-oxo-2-(2-oxopropyl)spiro[1-benzofuran-2,6-cyclohex-3-ene]-1-carboxylate
2-(3,4-Dimethoxyphenyl)-2-oxoethyl 3,4-dimethoxybenzoate
4-[3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
C20H16N4O3 (360.12223459999996)
N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide
2-(2-cyanophenoxy)-N-[2-[cyclopropyl(oxo)methyl]-3-benzofuranyl]acetamide
4-methoxy-N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)benzamide
2-Amino-3-[(3-methoxyphenyl)hydrazinylidene]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinone
C19H16N6O2 (360.13346759999996)
3-(3-oxo-1,2-benzothiazol-2-yl)-N-(phenylmethyl)benzamide
4,5-Dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
N-[(1-methyl-1H-pyrrol-2-yl)methylene]-2-(2-thienyl)-4-quinolinecarbohydrazide
2-amino-6-(2-furanylmethyl)-7-methyl-5-oxo-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
C20H16N4O3 (360.12223459999996)
N-[(E)-(2-Piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
(1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
4-(8-Bromo-7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)aniline
5-[(E)-[(8-Methoxy-8-oxooctanoyl)hydrazinylidene]methyl]furan-2-sulfonic acid
C14H20N2O7S (360.09911700000004)
3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
[8-(1,2-Dihydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] 3-methylbut-2-enoate
4-(3-Formyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
1-(4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
7,9,11,13-Tetrahydroxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-12(17),13,15-triene-3,18-dione
1,3-Dibenzyl-2H-pyrimido(1,2-A)(1,3,5)triazine-2,4,8(1H,3H)-trione
C20H16N4O3 (360.12223459999996)
chrysoplenol D
3,4,5-trihydroxy-3,6,7-trimethoxyflavone is a trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin. It has a role as an antineoplastic agent and a metabolite. It is a trihydroxyflavone and a trimethoxyflavone. It is functionally related to a quercetagetin. Chrysosplenol D is a natural product found in Psiadia viscosa, Chrysosplenium oppositifolium, and other organisms with data available. See also: Vitex negundo fruit (part of). A trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin. Chrysosplenol D is a methoxy flavonoid that induces ERK1/2-mediated apoptosis in triple negative human breast cancer cells. Chrysosplenol D also exhibits anti-inflammatory and moderate antitrypanosomal activities[1][2][3][4]. Chrysosplenol D is a methoxy flavonoid that induces ERK1/2-mediated apoptosis in triple negative human breast cancer cells. Chrysosplenol D also exhibits anti-inflammatory and moderate antitrypanosomal activities[1][2][3][4].
7-Deoxyloganic acid
A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by beta-D-glucosyloxy and methyl groups respectively (the 1S,4aS,7S,7aR-diatereomer).
[(1R,3S,7R,8R,9Z)-10-(Hydroxymethyl)-1-methyl-6-methylidene-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-9,11-dien-8-yl] 2-methylprop-2-enoate
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside
1-[2,4-Dihydroxy-6-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
2-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4-glucoside
3,3,5-trimethylmyricetin
A trimethoxyflavone that is myricetin in which the hydroxy groups at position 3, 3 and 5 have been replaced by methoxy groups.
A-908292
C18H20N2O4S (360.11437200000006)
A-908292 is a potent and selective acetyl-CoA carboxylase 2 (ACC2) inhibitor, with an IC50 of 23 nM for human ACC2. A-908292 can be used for the research of fatty acid metabolism[1][2]. A-908292 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
TD52
TD52, an Erlotinib (HY-50896) derivative, is an orally active, potent cancerous inhibitor of protein phosphatase 2A (CIP2A) inhibitor. TD52 mediates the apoptotic effect in triple-negative breast cancer (TNBC) cells via regulating the CIP2A/PP2A/p-Akt signalling pathway. TD52 indirectly reduced CIP2A by disturbing Elk1 binding to the CIP2A promoter. TD52 has less p-EGFR inhibition and has potent anti-cancer activity[1]. TD52 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
VU0467485
VU0467485 (AZ13713945) is a potent, selective, and orally bioavailable muscarinic acetylcholine receptor 4 (M4) positive allosteric modulator (PAM). VU0467485 (AZ13713945) potentiates activity of ACh at M4 with EC50s of 26.6 nM and 78.8 nM at rat and human M4 receptors, respectively. VU0467485 (AZ13713945) shows selectivity for M4 over human and rat M1/2/3/5. VU0467485 (AZ13713945) displays moderate to high CNS penetration. VU0467485 (AZ13713945) has antipsychotic-like activity[1].