Exact Mass: 360.1045
Exact Mass Matches: 360.1045
Found 500 metabolites which its exact mass value is equals to given mass value 360.1045,
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
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
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].
RUSTAIYAN A
Goyazensolide
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.
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.
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.
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.
6'-Methoxypolygoacetophenoside
6-Methoxypolygoacetophenoside is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron)
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.
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).
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
Cambinol
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.
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
5,7,3-Trihydroxy-4,5-dimethoxy-6,8-di-C-methylflavanone
[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
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
Chrysosplenol C
A trimethoxyflavone that is the 3,7,3-trimethyl ether derivative of quercetagetin.
Heteroflavanone A
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
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
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
2N-(3-xi-D-glucosyloxy-4-pyridon)-1-amino-propionsaeure
(2E,4R,5S,6S,7R)-3-{7-hydroxy-4,6-dimethyl-4-(3-methylenepent-4-enyl)-[1,2,3]-trithiocan-5-yl}acrylic acid
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.
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
3-Hydroxy-3-(4-hydroxybenzyl)-5,6,7-trimethoxy-2H-1-benzopyran-4(3H)-one
(3S)-7,8,4??6?-tetramethoxyisoflavan-2?,5?-quinone
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
methyl 5-((2E)-1-hydroxy-3-phenylprop-2-enylidene)-1,2,3-trimethoxy-4-oxocyclopent-2-enecarboxylate|stigmahamone I
(-)-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
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
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.
Glucosyringicacid
Glucosyringic acid is a natural product found in Eupatorium chinense, Molineria crassifolia, and other organisms with data available.
Fenofibrate (Tricor, Trilipix)
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.
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
C19H20O7_Methyl 4,6-dihydroxy-6-methyl-3-oxo-3-(2-oxopropyl)-3H-spiro[1-benzofuran-2,1-cyclohex[4]ene]-2-carboxylate
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)
(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
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate [IIN-based: Match]
(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
(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
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, mono(2-hydroxyethyl) ester
Gibberellin A59
6'-Methoxypolygoacetophenoside
(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
2-amino-3-nitro-4-(3-nitrophenyl)-6-phenylbenzonitrile
2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid 6-benzyl ester 3-ethyl ester
2,5-Furandione,dihydro-3-(triphenylphosphoranylidene)-
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
Mapenterol hydrochloride
Mapenterol hydrochloride is a type of β2-adrenoceptor agonist[1].
PHENYL4,6-O-BENZYLIDENE-1-THIO-BETA-D-GLUCOPYRANOSIDE
Methyl 2-[5-[3-(1-Naphthyloxy)phenyl]-2H-tetrazol-2-yl]acetate
4(1H)-Pyridazinone, 6-methyl-3-(phenylmethoxy)-1-(3-(trifluoromethyl)p henyl)-
2-benzofuran-1,3-dione,5-prop-2-enoyloxypentyl prop-2-enoate
Haletazole
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
Ethyl 4-(4-piperidinylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxyl ate dihydrochloride
(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
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
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
5-Hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9,11-dicarboxylic acid
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
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
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
3-(3-oxo-1,2-benzothiazol-2-yl)-N-(phenylmethyl)benzamide
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
N-[(E)-(2-Piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
5-[(E)-[(8-Methoxy-8-oxooctanoyl)hydrazinylidene]methyl]furan-2-sulfonic acid
[8-(1,2-Dihydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] 3-methylbut-2-enoate
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
[(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
1-[2,4-Dihydroxy-6-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
A-908292
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.
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].
(1s)-1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobut-3-en-1-yl propanoate
(2r)-2-(3,4-dimethoxyphenyl)-6-hydroxy-5,7-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(1r,2r,7r,8r,10s,11z)-5,10-dihydroxy-11-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-8,10-dimethyl-3-oxatricyclo[6.2.2.0²,⁷]dodec-5-ene-4,9,12-trione
(3r)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-6,7,8-trimethoxy-2,3-dihydro-1-benzopyran-4-one
(4r,5r,12s,14r)-4-(3,4-dihydroxyphenyl)-14-methyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-triene-5,8,12-triol
4'-hydroxy-5,5'-dimethoxy-[1,1'-binaphthalene]-3,4-dione
methyl (5z)-5-[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-1,2,3-trimethoxy-4-oxocyclopent-2-ene-1-carboxylate
(1e,3s,4r)-1-[(2s,3r,3ar,7ar)-3-hydroxy-5-oxo-2h,3h,3ah,7ah-furo[3,2-b]pyran-2-yl]-4-hydroxypent-1-en-3-yl benzoate
2-(4-hydroxy-3-methoxyphenyl)-5,6,7-trimethoxy-2,3-dihydro-1-benzopyran-4-one
1-(2,4-dihydroxy-6-methoxy-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
(2e,4s,9r)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylprop-2-enoate
(2s)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
7-{[(2e)-4-[(2r,4s)-4-hydroxy-4-(hydroxymethyl)-5-oxooxolan-2-yl]-3-methylbut-2-en-1-yl]oxy}chromen-2-one
6-formyl-11-hydroxy-3-methylidene-2-oxo-8,9,11,11a-tetrahydro-3ah-spiro[cyclodeca[b]furan-10,2'-oxiran]-4-yl 2-methylprop-2-enoate
methyl (1r)-7-ethyl-1,8-dihydroxy-3,3,6-trimethyl-4,9-dioxonaphtho[2,3-c]furan-1-carboxylate
7-[(2r,3s)-2,3-dihydroxy-3-{[(2s)-4-methylidene-5-oxooxolan-2-yl]methyl}butoxy]chromen-2-one
2-(3-hydroxy-4,5-dimethoxyphenyl)-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(1r,3s,7r,8s,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
5-[(3s)-6,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobut-3-en-1-yl propanoate
(3r,4s,8r,9s,11r)-3-hydroxy-11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylprop-2-enoate
5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-12-ene-9,11-dicarboxylic acid
1-(acetyloxy)-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl acetate
3-(3,4-dihydroxybenzyl)-5-hydroxy-7,8-dimethoxy-6-methyl-4-chromanone
{"Ingredient_id": "HBIN007113","Ingredient_name": "3-(3,4-dihydroxybenzyl)-5-hydroxy-7,8-dimethoxy-6-methyl-4-chromanone","Alias": "NA","Ingredient_formula": "C19H20O7","Ingredient_Smile": "NA","Ingredient_weight": "360.36","OB_score": "NA","CAS_id": "149180-48-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8496","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxy-6,7,3',4'-tetramethoxyflavonol
{"Ingredient_id": "HBIN007380","Ingredient_name": "3,4-dihydroxy-6,7,3',4'-tetramethoxyflavonol","Alias": "AC1NSURD; 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4H-chromene-3,4-diol","Ingredient_formula": "C19H20O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=C(C(C3=CC(=C(C=C3O2)OC)OC)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15135","TCMID_id": "6150","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-7,8-dimethoxy-6-methyl-3-(3',4'-dihydroxybenzyl)chroman-4-one
{"Ingredient_id": "HBIN011651","Ingredient_name": "5-hydroxy-7,8-dimethoxy-6-methyl-3-(3',4'-dihydroxybenzyl)chroman-4-one","Alias": "NA","Ingredient_formula": "C19H20O7","Ingredient_Smile": "CC1=C(C2=C(C(=C1OC)OC)OCC(C2=O)CC3=CC(=C(C=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10032","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
