Exact Mass: 368.1048536
Exact Mass Matches: 368.1048536
Found 500 metabolites which its exact mass value is equals to given mass value 368.1048536,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Feruloylquinic acid
3-Feruloylquinic acid (3-FQA) (CAS: 1899-29-2) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 3-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 3-FQA is also found in chicory, tomatoes (Lycopersicon esculentum), and sunflowers (Helianthus annuus). 3-O-feruloyl-D-quinic acid is a quinic acid that is the 3-O-feruloyl derivative of D-quinic acid. It has a role as a plant metabolite. It is a quinic acid and an enoate ester. It is functionally related to a (-)-quinic acid and a ferulic acid. 3-O-Feruloylquinic acid is a natural product found in Astragalus onobrychis, Astragalus arguricus, and other organisms with data available. 5-feruloylquinic acid, also known as O-feruloylquinate, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-feruloylquinic acid can be found in a number of food items such as sweet cherry, apricot, redcurrant, and peach (variety), which makes 5-feruloylquinic acid a potential biomarker for the consumption of these food products. . 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
Curcumin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials relative retention time with respect to 9-anthracene Carboxylic Acid is 1.286 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 1.290 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.289 [Raw Data] CBA71_Curcumin_neg_10eV.txt [Raw Data] CBA71_Curcumin_neg_30eV.txt [Raw Data] CBA71_Curcumin_neg_40eV.txt [Raw Data] CBA71_Curcumin_pos_30eV.txt [Raw Data] CBA71_Curcumin_pos_20eV.txt [Raw Data] CBA71_Curcumin_pos_40eV.txt [Raw Data] CBA71_Curcumin_neg_50eV.txt [Raw Data] CBA71_Curcumin_pos_10eV.txt [Raw Data] CBA71_Curcumin_pos_50eV.txt [Raw Data] CBA71_Curcumin_neg_20eV.txt Curcumin (Diferuloylmethane), a natural phenolic compound, is a p300/CREB-binding protein-specific inhibitor of acetyltransferase, represses the acetylation of histone/nonhistone proteins and histone acetyltransferase-dependent chromatin transcription. Curcumin shows inhibitory effects on NF-κB and MAPKs, and has diverse pharmacologic effects including anti-inflammatory, antioxidant, antiproliferative and antiangiogenic activities. Curcumin induces stabilization of Nrf2 protein through Keap1 cysteine modification. Curcumin (Diferuloylmethane), a natural phenolic compound, is a p300/CREB-binding protein-specific inhibitor of acetyltransferase, represses the acetylation of histone/nonhistone proteins and histone acetyltransferase-dependent chromatin transcription. Curcumin shows inhibitory effects on NF-κB and MAPKs, and has diverse pharmacologic effects including anti-inflammatory, antioxidant, antiproliferative and antiangiogenic activities. Curcumin induces stabilization of Nrf2 protein through Keap1 cysteine modification.
Averufin
CONFIDENCE isolated standard
[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]alanine
C16H20N2O6S (368.10420200000004)
7-O-Methylluteone
A hydroxyisoflavone that is luteone in which the hydroxy group at position 7 is replaced by a methoxy group.
5-Demethoxydeoxypodophyllotoxin
D009676 - Noxae > D003603 - Cytotoxins D000970 - Antineoplastic Agents
PD116740
12-Deoxynogalonic acid
A member of the class of anthraquinones that is 10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid bearing two additional hydroxy substituents at positions 4 and 5. An intermediate in the biosynthesis of nogalamycin.
Pyritinol
C16H20N2O4S2 (368.08644400000003)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Velloquercetin
An extended flavonoid that consists of quercetin substituted by a 2-isopropenyldihydrofuran ring across positions 6 and 7.
Curcumin
Curcumin appears as orange-yellow needles. (NTP, 1992) Curcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. It has a role as a metabolite, an anti-inflammatory agent, an antineoplastic agent, a hepatoprotective agent, a flavouring agent, a biological pigment, a nutraceutical, an antifungal agent, a dye, a lipoxygenase inhibitor, a ligand, a radical scavenger, a contraceptive drug, an EC 3.5.1.98 (histone deacetylase) inhibitor, an immunomodulator, an iron chelator, a neuroprotective agent, a food colouring, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor, an EC 1.1.1.205 (IMP dehydrogenase) inhibitor, an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor, an EC 1.8.1.9 (thioredoxin reductase) inhibitor, an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor and a geroprotector. It is a polyphenol, a beta-diketone, an enone, a diarylheptanoid and an aromatic ether. It is functionally related to a ferulic acid. Curcumin, also known as diferuloylmethane, is an active component in the golden spice turmeric (Curcuma longa) and in [Curcuma xanthorrhiza oil]. It is a highly pleiotropic molecule that exhibits antibacterial, anti-inflammatory, hypoglycemic, antioxidant, wound-healing, and antimicrobial activities. Due to these properties, curcumin has been investigated for the treatment and supportive care of clinical conditions including proteinuria, breast cancer, multiple myeloma, depression, and Non Small Cell Lung Cancer (NSCLC). Despite proven efficacy against numerous experimental models, poor bioavailability due to poor absorption, rapid metabolism, and rapid systemic elimination have been shown to limit the therapeutic efficacy of curcumin. Curcumin is under investigation for the treatment and supportive care of various clinical conditions including mucositis, rectal cancer, prostate cancer, chronic schizophrenia, and Mild Cognitive Impairment (MCI). curcumin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Curcumin is a natural product found in Strychnos angustiflora, Curcuma amada, and other organisms with data available. Curcumin is a phytopolylphenol pigment isolated from the plant Curcuma longa, commonly known as turmeric, with a variety of pharmacologic properties. Curcumin blocks the formation of reactive-oxygen species, possesses anti-inflammatory properties as a result of inhibition of cyclooxygenases (COX) and other enzymes involved in inflammation; and disrupts cell signal transduction by various mechanisms including inhibition of protein kinase C. These effects may play a role in the agents observed antineoplastic properties, which include inhibition of tumor cell proliferation and suppression of chemically induced carcinogenesis and tumor growth in animal models of cancer. (NCI04) A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes. See also: ... View More ... Curcumin is a natural component of the rhizome of turmeric (Curcuma longa) and one of the most powerful chemopreventive and anticancer agents. Its biological effects range from antioxidant, anti-inflammatory to inhibition of angiogenesis and is also shown to possess specific antitumoral activity. The molecular mechanism of its varied cellular effects has been studied in some details and it has been shown to have multiple targets and interacting macromolecules within the cell. Curcumin has been shown to possess anti-angiogenic properties and the angioinhibitory effects of curcumin manifest due to down regulation of proangiogenic genes such as VEGF and angiopoitin and a decrease in migration and invasion of endothelial cells. One of the important factors implicated in chemoresistance and induced chemosensitivity is NFkB and curcumin has been shown to down regulate NFkB and inhibit IKB kinase thereby suppressing proliferation and inducing apoptosis. Cell lines that are resistant to certain apoptotic inducers and radiation become susceptible to apoptosis when treated in conjunction with curcumin. Besides this it can also act as a chemopreventive agent in cancers of colon, stomach and skin by suppressing colonic aberrant crypt foci formation and DNA adduct formation. This review focuses on the various aspects of curcumin as a potential drug for cancer treatment and its implications in a variety of biological and cellular processes vis-à-vis its mechanism of action (PMID: 16712454). Turmeric (Zingiberaceae family) rhizomes, has been widely used for centuries in indigenous medicine for the treatment of a variety of inflammatory conditions and other diseases. Its medicinal properties have been attributed mainly to the curcuminoids and the main component present in the rhizome is curcumin. Curcumin has been shown to possess wide range of pharmacological activities including anti-inflammatory, anti-cancer, anti-oxidant, wound healing and anti-microbial effects. Recently, curcumin treatment has been shown to correct defects associated with cystic fibrosis in homozygous DeltaF508 cystic fibrosis transmembrane conductance regulator (CFTR) knock out mice. In vivo and in vitro studies have demonstrated curcumins ability to inhibit carcinogenesis at three stages: tumor promotion, angiogenesis and tumor growth. Curcumin suppresses mitogen-induced proliferation of blood mononuclear cells, inhibits neutrophil activation and mixed lymphocyte reaction and also inhibits both serum-induced and platelet derived growth factor (PDGF)-dependent mitogenesis of smooth muscle cells. It has also been reported to be a partial inhibitor of protein kinase. The other salient feature of turmeric/curcumin is that despite being consumed daily for centuries in Asian countries, it has not been shown to cause any toxicity (PMID: 16413584). Isolated from Curcuma zedoaria (zedoary) and other Curcuma subspecies flavouring ingredient. Natural colouring matter used extensively in Indian curries etc. Nutriceutical with anticancer and antiinflammatory props. Curcumin is found in many foods, some of which are asian pear, leek, chayote, and coconut. A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Curcumin (Diferuloylmethane), a natural phenolic compound, is a p300/CREB-binding protein-specific inhibitor of acetyltransferase, represses the acetylation of histone/nonhistone proteins and histone acetyltransferase-dependent chromatin transcription. Curcumin shows inhibitory effects on NF-κB and MAPKs, and has diverse pharmacologic effects including anti-inflammatory, antioxidant, antiproliferative and antiangiogenic activities. Curcumin induces stabilization of Nrf2 protein through Keap1 cysteine modification. Curcumin (Diferuloylmethane), a natural phenolic compound, is a p300/CREB-binding protein-specific inhibitor of acetyltransferase, represses the acetylation of histone/nonhistone proteins and histone acetyltransferase-dependent chromatin transcription. Curcumin shows inhibitory effects on NF-κB and MAPKs, and has diverse pharmacologic effects including anti-inflammatory, antioxidant, antiproliferative and antiangiogenic activities. Curcumin induces stabilization of Nrf2 protein through Keap1 cysteine modification.
Glycycoumarin
Glycycoumarin is a member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antispasmodic activity. It has a role as an antispasmodic drug and a plant metabolite. It is a member of coumarins, an aromatic ether and a member of resorcinols. Glycycoumarin is a natural product found in Glycyrrhiza glabra, Glycyrrhiza uralensis, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of). A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antispasmodic activity. Glycycoumarin is found in root vegetables. Glycycoumarin is from licorice (Glycyrrhiza glabra From licorice (Glycyrrhiza glabra). Glycycoumarin is found in root vegetables. Glycycoumarin is a potent antispasmodic agent. Glycycoumarin is a major bioactive coumarin of licorice and exhibits antispasmodic activity. Glycycoumarin also has hepatoprotective effect. Glycycoumarin can be used for the research of abdominal pain and liver diseases[1][2]. Glycycoumarin is a potent antispasmodic agent. Glycycoumarin is a major bioactive coumarin of licorice and exhibits antispasmodic activity. Glycycoumarin also has hepatoprotective effect. Glycycoumarin can be used for the research of abdominal pain and liver diseases[1][2]. Glycycoumarin is a potent antispasmodic agent. Glycycoumarin is a major bioactive coumarin of licorice and exhibits antispasmodic activity. Glycycoumarin also has hepatoprotective effect. Glycycoumarin can be used for the research of abdominal pain and liver diseases[1][2].
Isoglycycoumarin
Isoglycycoumarin is an organic hydroxy compound and an isoflavonoid. Isoglycycoumarin is a natural product found in Glycyrrhiza glabra, Glycyrrhiza uralensis, and Glycyrrhiza inflata with data available. Isoglycycoumarin is found in herbs and spices. Isoglycycoumarin is isolated from Glycyrrhiza glabra (licorice) and Glycyrrhiza uralensis (Chinese licorice). Isolated from Glycyrrhiza glabra (licorice) and Glycyrrhiza uralensis (Chinese licorice). Isoglycycoumarin is found in tea and herbs and spices.
5-Feruloylquinic acid
5-Feruloylquinic acid (5-FQA) (CAS: 40242-06-6) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 5-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 3-feruloylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-feruloylquinic acid can be found in a number of food items such as carrot, peach (variety), apricot, and pear, which makes 3-feruloylquinic acid a potential biomarker for the consumption of these food products. . 3-Feruloylquinic acid is a quinic acid. 3-Feruloylquinic acid is a natural product found in Astragalus onobrychis, Coffea, and other organisms with data available. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1]. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1].
Cyclocurcumin
Cyclocurcumin is found in herbs and spices. Cyclocurcumin is a constituent of the rhizome of Curcuma longa (turmeric). Constituent of the rhizome of Curcuma longa (turmeric). Cyclocurcumin is found in turmeric and herbs and spices. Cyclocurcumin is a diarylheptanoid.
Glicoricone
Glicoricone is a member of isoflavones. Glicoricone is a natural product found in Glycyrrhiza and Glycyrrhiza uralensis with data available. Glicoricone is found in herbs and spices. Glicoricone is a constituent of Glycyrrhiza sp Constituent of Glycyrrhiza species Glicoricone is found in herbs and spices.
Ketazolam
C20H17ClN2O3 (368.09276420000003)
Ketazolam is only found in individuals that have used or taken this drug. It is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Ketazolam is not approved for sale in the United States or Canada. Benzodiazepines share a similar chemical structure and their effects in humans are mainly produced by the allosteric modification of a specific kind of neurotransmitter receptor, the GABAA receptor, which increases the conductance of this inhibitory channel; this results in the various therapeutic effects as well as adverse effects of benzodiazepines. Binding of benzodiazepines to this receptor complex promotes binding of GABA, which in turn increases the conduction of chloride ions across the neuronal cell membrane. This increased conductance raises the membrane potential of the neuron resulting in inhibition of neuronal firing. In addition, different GABAA receptor subtypes have varying distributions within different regions of the brain and therefore control distinct neuronal circuits. Hence, activation of different GABAA receptor subtypes by benzodiazepines may result in distinct pharmacological actions. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
3-O-Caffeoyl-4-O-methylquinic acid
3-O-Caffeoyl-4-O-methylquinic acid is found in green vegetables. It is a constituent of Phyllostachys edulis (moso bamboo). Constituent of Phyllostachys edulis (moso bamboo). 3-O-Caffeoyl-4-O-methylquinic acid is found in green vegetables. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
9-O-Methylglyceofuran
9-O-Methylglyceofuran is found in pulses. 9-O-Methylglyceofuran is from Glycine max (soy bean). From Glycine max (soy bean). 9-O-Methylglyceofuran is found in soy bean and pulses.
3-O-Caffeoyl-1-O-methylquinic acid
3-O-Caffeoyl-1-O-methylquinic acid is found in green vegetables. It is a constituent of Phyllostachys edulis (moso bamboo). Constituent of Phyllostachys edulis (moso bamboo). 3-O-Caffeoyl-1-O-methylquinic acid is found in green vegetables.
Gancaonin B
Gancaonin B is found in herbs and spices. Gancaonin B is isolated from Glycyrrhiza uralensis (Chinese licorice). Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin B is found in herbs and spices.
Glycyrrhizaisoflavone C
Glycyrrhizaisoflavone C is found in herbs and spices. Glycyrrhizaisoflavone C is a constituent of licorice (Glycyrrhiza sp.) Constituent of licorice (Glycyrrhiza species). Glycyrrhizaisoflavone C is found in tea and herbs and spices.
Integrin
Integrin is found in fruits. Integrin is a constituent of heartwood of Artocarpus integer (champeduk)
Mollicellin H
Mollicellin H is produced by Chaetomium species and mutagenic mycotoxin. Production by Chaetomium subspecies and mutagenic mycotoxin.
Gancaonin N
Gancaonin N is found in herbs and spices. Gancaonin N is isolated from Glycyrrhiza uralensis (Chinese licorice). Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin N is found in herbs and spices.
3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-5,13,14-triol
12alpha-Hydroxyerosone
12alpha-Hydroxyerosone is found in jicama. 12alpha-Hydroxyerosone is a constituent of Pachyrrhizus erosus (yam bean). Constituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxyerosone is found in jicama and pulses.
Artocarpetin A
Artocarpetin A is found in fruits. Artocarpetin A is a constituent of Artocarpus heterophyllus (jackfruit)
Cyclointegrin
Cyclointegrin is found in fruits. Cyclointegrin is isolated from heartwood of Artocarpus integer (champedak
trans-3-Hydroxycotinine glucuronide
3-Hydroxycotinine (3HC) is the main nicotine metabolite detected in smokers urine. It is also excreted as a glucuronide conjugate (3HC-Gluc). 3HC and 3HC-Gluc account for 40-60\\% of the nicotine dose in urine. [HMDB] 3-Hydroxycotinine (3HC) is the main nicotine metabolite detected in smokers urine. It is also excreted as a glucuronide conjugate (3HC-Gluc). 3HC and 3HC-Gluc account for 40-60\\% of the nicotine dose in urine.
4-Feruloylquinic acid
4-Feruloylquinic acid (4-FQA) (CAS: 2613-86-7) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 4-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 4-feruloylquinic acid, also known as O-feruloylquinate, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-feruloylquinic acid can be found in a number of food items such as european plum, peach (variety), jostaberry, and apricot, which makes 4-feruloylquinic acid a potential biomarker for the consumption of these food products.
5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glucuronide
5-(4’-hydroxyphenyl)-γ-valerolactone 4'-glucuronide
(1E,6E)-1,7-Bis(3-methoxy-4-hydroxyphenyl)-5-hydroxy-1,4,6-heptatriene-3-one
3-Hydroxycotinine glucuronide
Benzamide, N-(2-chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)-
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
Lactate carbon
C13H20O12 (368.09547200000003)
1-(5-Cyanopyridin-2-yl)-3-((1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl)urea
Phenoxomethylpenicilloyl
C16H20N2O6S (368.10420200000004)
Pyrithioxin
C16H20N2O4S2 (368.08644400000003)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Feruloylquinic acid
Feruloylquinic acid is also known as feruloylquinate. Feruloylquinic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Feruloylquinic acid can be found in barley and corn, which makes feruloylquinic acid a potential biomarker for the consumption of these food products.
E6GC3KV7JK
3-O-caffeoylquinic acid methyl ester is a quinic acid. Methyl chlorogenate is a natural product found in Centaurea bracteata, Lonicera japonica, and other organisms with data available. See also: Manilkara zapota fruit (part of). 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
Icartin
Icaritin has been used in trials studying the treatment of Solid Tumors, Metastatic Breast Cancer, and Hepatocellular Carcinoma (HCC). Icaritin is a natural product found in Epimedium diphyllum, Epimedium wushanense, and other organisms with data available. Icaritin (Anhydroicaritin) is a prenylflavonoid derivative from Epimedium brevicornuMaxim. and potently inhibits proliferation of K562 cells (IC50 of 8 μM) and primary CML cells (IC50 of 13.4 μM for CML-CP and 18 μM for CML-BC). Icaritin can regulate MAPK/ERK/JNK and JAK2/STAT3 /AKT signalings, also enhances osteogenesis[1][2][3. Icaritin (Anhydroicaritin) is a prenylflavonoid derivative from Epimedium brevicornuMaxim. and potently inhibits proliferation of K562 cells (IC50 of 8 μM) and primary CML cells (IC50 of 13.4 μM for CML-CP and 18 μM for CML-BC). Icaritin can regulate MAPK/ERK/JNK and JAK2/STAT3 /AKT signalings, also enhances osteogenesis[1][2][3.
Sophoflavescenol
Sophoflavescenol is a natural product found in Albizia julibrissin and Sophora flavescens with data available.
Isoanhydroicaritin
Isoanhydroicaritin is a natural product found in Sophora flavescens with data available.
Anhydroicaritin
beta-Anhydroicaritin is a natural product found in Epimedium brevicornu with data available. β-Anhydroicaritin is isolated from Boswellia carterii Birdware, has important biological and pharmacological effects, such as antiosteoporosis, estrogen regulation and antitumor properties[1]. β-Anhydroicaritin ameliorates the degradation of periodontal tissue and inhibits the synthesis and secretion of TNF-α and MMP-3 in diabetic rats[2]. β-Anhydroicaritin decreases the overproduction of NO, IL-10, TNF-α, MCP-1 and IL-6 in inperitonitis mice. β-Anhydroicaritin inhibits the elevation of intracellular Ca2+, and markedly decreases iNOS protein expression[3]. β-Anhydroicaritin is isolated from Boswellia carterii Birdware, has important biological and pharmacological effects, such as antiosteoporosis, estrogen regulation and antitumor properties[1]. β-Anhydroicaritin ameliorates the degradation of periodontal tissue and inhibits the synthesis and secretion of TNF-α and MMP-3 in diabetic rats[2]. β-Anhydroicaritin decreases the overproduction of NO, IL-10, TNF-α, MCP-1 and IL-6 in inperitonitis mice. β-Anhydroicaritin inhibits the elevation of intracellular Ca2+, and markedly decreases iNOS protein expression[3].
Glycyrrhisoflavanone
Leiocinol
Kaerophyllin
Kaerophyllin is a natural product found in Montrouziera sphaeroidea, Bupleurum salicifolium, and other organisms with data available.
5,4-Dihydroxy-5-(1-hydroxy-1-methylethyl)-4-methoxyfurano[2,3:7,6]isoflavone
4,5-dihydro-6,8,10-trihydroxy-2-methyl-2,5-ethanoanthra[2,3-d]-1,3-dioxepin-7,12-dione
Ugonin C
Malaccol
Candidusin B 2,2-Epoxy-3,6-dimethoxy-1,1,4,1-terphenyl-3,4,4,5-tetrol
4-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone
Artoindonesianin P
An extended flavonoid that is 5a,6-dihydro-5H,7H-[1]benzofuro[3,4-bc]xanthen-7-one substituted by hydroxy groups at positions 1, 3, 8 and 10 and geminal methyl groups at position 5. It is isolated from the tree barks of Artocarpus lanceifolius and exhibits cytotoxicity against human murine leukemia cells.
Corylidin
3,4-Methylenedioxy-2-hydroxy-3,6-dimethoxy-[2,3:4,5]-furanochalcone
Cyclochampedol
3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
Canniflavone
Topazolin
Ciliatin B
UCT 1O72M3
(2S)-5,3-Dihydroxy-4-methoxy-6,6-dimethylpyrano[2,3:7,8]flavanone
(2S)-4,5-Dihydroxy-8-hydroxymethyl-6,6-dimethylpyrano[2,3:7,6]flavanone
5,7,4-trihydroxy-3-(3-methylbut-2-enyl)-3-methoxy flavone
Kwakhurin
Licoarylcoumarin
A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a 2-methylbut-3-en-2yl group at position 8 and a 2,4-dihydroxyphenyl group at position 3. It has been isolated from Glycyrrhiza uralensis.
12-Hydroxyerosone
Cyclointegrin
Isoglycycoumarin
Glycycoumarin
Glycycoumarin is a potent antispasmodic agent. Glycycoumarin is a major bioactive coumarin of licorice and exhibits antispasmodic activity. Glycycoumarin also has hepatoprotective effect. Glycycoumarin can be used for the research of abdominal pain and liver diseases[1][2]. Glycycoumarin is a potent antispasmodic agent. Glycycoumarin is a major bioactive coumarin of licorice and exhibits antispasmodic activity. Glycycoumarin also has hepatoprotective effect. Glycycoumarin can be used for the research of abdominal pain and liver diseases[1][2]. Glycycoumarin is a potent antispasmodic agent. Glycycoumarin is a major bioactive coumarin of licorice and exhibits antispasmodic activity. Glycycoumarin also has hepatoprotective effect. Glycycoumarin can be used for the research of abdominal pain and liver diseases[1][2].
Integrin
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
2-(4-Hydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-benzo[1,2-b:3,4-b]dipyran-4,10-dione
C1=C2C(=O)C3=CC(OC)=CC(OC)=C3C(=O)C2=C(O)C2=C1OC1OCCC12
beta-(trans-3,4-methylenedioxybenzylidene)-alpha-(3,4-dimethoxybenzyl)-gamma-butyrolactone
5,7-dihydroxy-3-ethylchromone-7-O-beta-D-glucoside|takanechromone B
6-Methoxy-7-O-??-D-(4-methoxy) glucopyranosyl coumarin
(+/-)-jatrophan|(3E)-<3,4-(methylenedioxy)benzylidene>-4-(3,4-dimethoxybenzyl)-gamma-butyrolactone|(E)-alpha-(3,4-methylenedioxybenzylidene)-beta-(3,4-dimethoxybenzyl)-gamma-butyrolactone|(S,E)-4-(3,4-Dimethoxybenzyl)-4,5-dihydro-3-(3,4-methylenedioxybenzylidene)-2(3H)-furanone|alpha-(trans-3,4-methylenedioxybenzylidene)-beta-(3,4-dimethoxybenzyl)-gamma-butyrolactone|jatrophan|succilactone|suchilactone
4,5-di-O-acetylprunetin|5,4-diacetoxy-7-methoxyisoflavone|5-Acetoxy-3-(4-acetoxy-phenyl)-7-methoxy-chromen-4-on|5-acetoxy-3-(4-acetoxy-phenyl)-7-methoxy-chromen-4-one|prunetin diacetate
(-)-(2S)-5,3-dihydroxy-4-methoxy-6,6-dimethylchromeno-(7,8,2,3)-flavanone
7-allyl-5-methoxy-2-(7-methoxy-benzo[1,3]dioxol-5-yl)-3-methyl-benzofuran-6-ol
4,4-dimethoxypulvinic acid|4,4-dimethoxyvulpinic acid
2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-3-methyl-4-hydroxy-7-(4-hydroxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
4,5-dihydroxy-8-hydroxymethyl-6,6-dimethylpyrano[2,3:7,6]flavanone
Egonol Acetate
An acetate ester of egonol isolated from the fruits of Styrax agrestis.
2-hydroxy-3-O-trans-feruloyl-1,2-propanedicarboxylic acid dimethyl ester
3,7-di-O-acetylcalycosin|3,7-Diacetoxy-4-methoxyisoflavon|3-Hydroxy-formomonetin-diacetat|7,3-Diacetoxy-4-methoxy-isoflavon|7-acetoxy-3-(3-acetoxy-4-methoxy-phenyl)-chromen-4-one
2-hydroxy-6,7-dimethoxy-2,3-dimethyl-4-piperonyltetralin-3-en-1-one
3-(3-methyl-1-butenyl)-6-methoxy-5,7,4-trihydroxy flavone|ovalifolin
Phenanthrenequinone, 1,4,8-trihydroxy-2-methyl-3-(4-methylvaleryl)-
(+)-aptosimon|(-)-Aptosimon|(1S,2R,5R,6R)-(-)-aptosimon|Genkdaphin
9-(3,4-dihydroxy-5-methoxy-phenyl)-7-hydroxy-6-methoxy-3H-naphtho[2,3-c]furan-1-one|Plicatinaphthalin|Plicatinaphthalin, 6-Hydroxy-2-(hydroxymethyl)-7-methoxy-4-(3,4-dihydroxy-5-methoxy-phenyl)-3-naphthalincarbonsaeurelacton
feruloylquinic acid
4-Feruloylquinic acid may be a potential biomarker for food products[1].
(-)-3-hydroxy-4-[(E)-2-hydroxymethyl-2-buten-4-yl]-8,9-methylenedioxypterocarpan|(-)-cabenergin A-I|cabenegrin A-I
2-(2,4-Dihydroxyphenyl)-3,5-dihydroxy-8,8-dimethyl-8H-benzo[1,2-b:3,4-b]dipyran-4-one
9-O-[6-O-acetyl-beta-D-glucopyranosyl]-4-hydroxycinnamic acid
2-O-methylalbanin A|5,7,4-trihydroxy-2-methoxy-3-(gamma,gamma-dimethylallyl)flavone
3(S)-5,7-dihydroxy-2-methoxy-[2,2-dimethyl-3,4-dehydro-pyrano-(1,4:-4,5)]isoflavanone|Erythraddison IV
2-(4-Methoxyphenyl)-3,5-dihydroxy-7-(prenyloxy)-4H-1-benzopyran-4-one
3-[2,6-Dihydroxy-3-(3-methyl-2-butenyl)-4-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one
(3R,4aR,13bS)-rel-(+)-1,2,3,4,4a,13b-Hexahydro-3,9,11,13-tetrahydroxy-anthra[2,3-b]benzofuran-7,12-dione
(-)-(2S)-7,8-(2,3,3-trimethyl-2,3-dihydrofuran)kaempferide
5,4-dihydroxy-7-methoxy-3-(3-methyl-2-hydroxybuten-3-yl)isoflavone
2-O-(4-Methoxyphenyl)-2,5,7-Trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
3-hydroxy-8,9-methylenedioxy-[2,2-dimethyl-3,4-dihydropyrano-(5,6:1,2)][6aR,11aR]pterocarpan|maackiapterocarpan A
4,5-dihydroxy-6-methoxy-4,4-dimethyl-4,5-dihydro-6H-pyrano[2,3:7,8]-isoflavone
4-O-beta-D-Glucopyranoside-6-(2,4-Dihydroxyphenyl)-5,6-dihydro-2H-pyran-2-one
(6aR,11aR)-2-(4-hydroxy-1-isopentenyl)-3-hydroxy-8,9-methylenedioxypterocarpan
1,3-Dihydroxy-6,8-dimethoxy-2-isoprenylanthraquinone|6,8-Di-Me ether-1,3,6,8-Tetrahydroxy-2-(3-methyl-2-butenyl)anthaquinone
(3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)dihydro-4-hydroxyfuran-2(3H)-one
(4-Methoxybenzofuran-5-yl)(6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-yl) ketone
butyl 2-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]acetate
5-(3,4-Dimethoxyphenyl)naphtho[2,3-d]-1,3-dioxole-6,7-bismethanol
2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,8,8-trimethyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-4(3H)-one
4-hydroxy-6,7-dimethoxy-2,3-dimethyl-4-piperonyltetralin-2-en-1-one
8-beta-D-glucopyranosyloxy-4-methoxy-5-methylcoumarin
3-(1,3-benzodioxol-5-yl)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
4-Methoxy-2,5,7-trihydroxy-5-(3-methyl-2-butenyl)isoflavone
O-Feruloylquinate
4-O-feruloylquinic acid is an organic molecular entity. 4-O-feruloyl-D-quinic acid is a natural product found in Coptis japonica and Coffea canephora with data available. 4-Feruloylquinic acid may be a potential biomarker for food products[1].
Diclofenac Diethylamine
C18H22Cl2N2O2 (368.10582519999997)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5-O-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
5,7-dihydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
Tricresylphosphate
C21H21O4P (368.11773960000005)
CONFIDENCE standard compound; INTERNAL_ID 2476 CONFIDENCE standard compound; INTERNAL_ID 8832
3-Feruloylquinic acids
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
3-O-Feruloylquinic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
4-Feruloylquinic acid
4-Feruloylquinic acid may be a potential biomarker for food products[1].
5-O-Feruloylquinic acid
5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1]. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1].
3-Feruloylquinic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
C17H20O9_(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
C17H20O9_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)
C17H20O9_Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1alpha,3alpha,4alpha,5beta)
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Feruloyl quinic acid (isomer of 887, 888)
Annotation level-3
Feruloyl quinic acid (isomer of 886, 888)
Annotation level-2
Feruloyl quinic acid (isomer of 886, 887)
Annotation level-3
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847875]
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_major
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_21.8\\%
Cys Cys Gly Ser
Cys Cys Ser Gly
Cys Gly Cys Ser
Cys Gly Ser Cys
Cys Ser Cys Gly
Cys Ser Gly Cys
Gly Cys Cys Ser
Gly Cys Ser Cys
Gly Ser Cys Cys
Ser Cys Cys Gly
Ser Cys Gly Cys
Ser Gly Cys Cys
Artocarpetin A
3-Ferulylquinic acid
Cyclocurcumin
mollicellin H
A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity.
Anseren
C20H17ClN2O3 (368.09276420000003)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Glycyrrhizaisoflavone C
3-O-Caffeoyl-1-O-methylquinic acid
3-O-Caffeoyl-4-O-methylquinic acid
1,3,5-Trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
4-acetoxy-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate
(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
C14H29IOSi (368.10323339999997)
Methyl 6-(benzyloxy)-4-hydroxy-5,7-dimethoxy-2-naphthoate
1-BOC-2-[(4-BROMO-PHENYLAMINO)-METHYL]-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-(3-BROMO-BENZYLAMINO)-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-(4-BROMO-BENZYLAMINO)-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[(2-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[(2-BROMO-PHENYLAMINO)-METHYL]-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[(3-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[(3-BROMO-PHENYLAMINO)-METHYL]-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[(4-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[(4-BROMO-PHENYLAMINO)-METHYL]-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-([2-(4-BROMO-PHENYL)-ETHYLAMINO]-METHYL)-AZETIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[2-(3-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-[2-(4-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-4-(2-BROMO-BENZYLAMINO)-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
C.I.solvent yellow 160:1
C20H17ClN2O3 (368.09276420000003)
1-Methyl-2-phenyl-3-(benzothiazol-2-ylazo)-1H-indole
Benzenesulfonamide,N,N-1,2-ethanediylbis[4-methyl-
C16H20N2O4S2 (368.08644400000003)
4-(3-CHLORO-4-FLUOROPHENYL)-1,2-DIMETHYL-5-(QUINOXALIN-6-YL)-1H-PYRAZOL-3(2H)-ONE
carbanide,hafnium(4+),5-methylcyclopenta-1,3-diene
N-[6-(1H-indol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-[6-(1H-indol-5-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-[6-(1H-indol-6-yl)naphthalen-2-yl]thiophene-3-carboxamide
4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylic acid
4-Aminomethyl-4-(4-bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
C17H25BrN2O2 (368.10992899999997)
2-[(2-PHENYL-QUINOLINE-4-CARBONYL)-AMINO]-BENZOIC ACID
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,furan-2,5-dione
1-BOC-2-[(2-BROMO-PHENYLAMINO)-METHYL]-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-2-[(3-BROMO-PHENYLAMINO)-METHYL]-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
1-BOC-3-(2-BROMO-BENZYLAMINO)-PIPERIDINE
C17H25BrN2O2 (368.10992899999997)
2-Quinolinecarboxylic acid, 7-chloro-1,2,3,4-tetrahydro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-, (2R,4E)-
C20H17ClN2O3 (368.09276420000003)
Vapitadine dihydrochloride
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
3-(4-propan-2-ylphenyl)sulfonyl-1H-triazolo[1,5-a]quinazolin-5-one
3-(4-methoxyphenyl)-4-oxo-4H-chromene-5,7-diyl diacetate
Methyl 5-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxymethyl]furan-2-carboxylate
5-Methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid
1-allyl-N-(4-chlorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
C20H17ClN2O3 (368.09276420000003)
N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxy-1-oxoethyl)amino]-2-benzofurancarboxamide
(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
C16H20N2O6S (368.10420200000004)
4-(1,3-Benzodioxol-5-YL)-5-(5-ethyl-2,4-dihydroxyphenyl)-2H-pyrazole-3-carboxylic acid
N-Hydroxy-5-[(3-Phenyl-5,6-Dihydroimidazo[1,2-A]pyrazin-7(8h)-Yl)carbonyl]thiophene-2-Carboxamide
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidothioate
C16H20N2O6S (368.10420200000004)
S-[[1,7-Dioxo-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-3-yl]methyl]-L-Cys-Gly-OH
C15H20N4O5S (368.11543500000005)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3R,5S)-1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl]oxyoxane-2-carboxylic acid
5-(4-Hydroxyphenyl)-gamma-valerolactone 4-glucuronide
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
Maackiapterocarpan A
A member of the class of pterocarpans that is pterocarpan substituted by a hydroxy group at position 3, a methylenedioxy group across positions 8 and 9 and a 2,2-dimethyltetrahydro-2H-pyran ring fused across positions 1 and 2 (the 8aR,14aR stereoisomer). Isolated from the stem barks of Maackia amurensis,it exhibits cytotoxicity against human cancer cell lines.
(-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one
A natural product found in Conoideocrella tenuis.
3-[(4-methoxyphenoxy)methyl]-N-(4-nitro-1-pyrazolyl)benzamide
N-(2-furanylmethyl)-5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxamide
1,3-bis(butylsulfonyl)-3a,4,6,6a-tetrahydro-2H-imidazo[4,5-d]imidazol-5-one
Indolylmethyl-desulfoglucosinolate
C16H20N2O6S (368.10420200000004)
(1E,6E)-1-(3-hydroxy-2-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
5-[[(5-Ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester
N-[4-[[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide
8-(2-fluorobenzylidene)-4-(2-fluorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
C21H18F2N2S (368.11586919999996)
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
C19H16N2O4S (368.08307360000003)
3-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-5-methyl-7-triazolo[4,5-d]pyrimidinamine
8-allyl-9-(propylthio)-5,8-dihydronaphtho[2,1:4,5]thieno[2,3-d]pyrimidin-7(6H)-one
(3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl ester
C17H21ClN2O5 (368.11389260000004)
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester
N-[3,5-dicyano-1-(4-methylphenyl)-6-oxo-4-phenyl-2-pyridinyl]acetamide
C22H16N4O2 (368.12731959999996)
(2S,3R,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-[4-[(E)-2-phenylethenyl]phenyl]azetidine-2-carbonitrile
1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
2-(3-Nitrophenyl)-4,5-dioxo-1-phenyl-3-pyrrolidinecarboxylic acid ethyl ester
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
2-butan-2-yl-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
Methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
[2-[(E)-3-(1-Benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] benzoate
methyl 2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]sulfanyl]acetate
5-O-(E)-FeruloylquinicAcid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
(E)-3-(3,4-Dihydroxyphenyl)acrylic acid (1R,2R,3R)-2,3,5-trihydroxy-5-(methoxycarbonyl)cyclohexyl ester
(1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
(5R,6R)-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
(1S,5S)-averufin
An organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione substituted at position 2 by a methyl group and at positions 7, 9 and 11 by hydroxy groups (the S,S-diastereomer)
ochratoxin B(1-)
A monocarboxylic acid anion that is the conjugate base of ochratoxin B resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
Norsolorinate(2-)
An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of norsolorinic acid.
5-(3-hydroxyphenyl)-gamma-valerolactone-3-O-beta-D-glucuronide
A butan-4-olide that is 5-(3-hydroxyphenyl)-gamma-valerolactone in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue
1-(3-hydroxy-2-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
trans-3-hydroxycotinine beta-D-glucuronide
A beta-D-glucosiduronic acid that is trans-3-hydroxycotinine in which the hydroxy hydrogen is replaced by a beta-D-glucuronyl residue.
8-(1,1-Dimethylallyl)kaempferide
A 7-hydroxyflavonol that is kaempferide substituted by a 1,1-dimethylallyl group at position 8.
4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
C21H18F2N2S (368.11586919999996)
versicolorone tetracyclic form
The tetracyclic anthrafuran form of versicolorone.
3-O-feruloyl-D-quinic acid
A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid.
2-hydroxy-11-(2-methylprop-1-en-1-yl)-10-oxapentacyclo[10.8.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3(8),4,6,9(21),11,14,16,18-nonaene-13,20-dione
(1s,13s)-10-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
methyl (1s,4s,8r,10s,11e,14s)-11-[(4-hydroxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
4-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-2,3-dimethylnaphthalen-1-one
(3e,4s)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
methyl (1r,3s,4s,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
1-hydroxy-3-(4-hydroxyphenyl)-4-methoxy-6-(4-methoxyphenyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
(1r,13r)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
1,4-dimethyl (2s)-2-hydroxy-2-({[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate
(2r,3r)-5-hydroxy-2-(2-hydroxyphenyl)-3-methoxy-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one
(1r,6s,14r)-7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²¹]tetracosa-2(11),3,9,15,17(21),22-hexaen-6-ol
6-{[2-(2,4-dihydroxy-6-methylbenzoyl)-3-hydroxyphenyl]methyl}-4-hydroxypyran-2-one
(17s)-7,20-dihydroxy-17-(2-hydroxypropan-2-yl)-10,12,16-trioxapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-2-one
3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16(23),17,19-hexaene-5,7,15-triol
6-[(3r)-6-hydroxy-8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl]-2h-1,3-benzodioxol-5-ol
(1r,2s,6br,12bs)-1,2,4,6b,10-pentahydroxy-2,7,8,12b-tetrahydro-1h-perylene-3,9-dione
1,3,7,8-tetrahydroxy-11-(2-methylprop-1-en-1-yl)-11h-5,10-dioxatetraphen-12-one
(2s)-5-hydroxy-10-(hydroxymethyl)-2-(4-hydroxyphenyl)-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one
(8e)-14-chloro-5,11,13-trihydroxy-4,5,9-trimethyl-1,4,6,7-tetrahydro-3-benzoxacyclododecine-2,10-dione
C18H21ClO6 (368.10265960000004)