Classification Term: 2095

Isoflavones (ontology term: CHEMONTID:0000494)

Polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom." []

found 63 associated metabolites at category metabolite taxonomy ontology rank level.

Ancestor: Isoflav-2-enes

Child Taxonomies: Isoflavonequinones, Isoflavone epoxides, 3'-prenylated isoflavones, 6-prenylated isoflavones, 8-prenylated isoflavones, 2'-prenylated isoflavones

Genistein

Genistein, Pharmaceutical Secondary Standard; Certified Reference Material

C15H10O5 (270.0528)


Genistein is a 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4. It is a phytoestrogenic isoflavone with antioxidant properties. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, a phytoestrogen, a plant metabolite, a geroprotector and a human urinary metabolite. It is a conjugate acid of a genistein(1-). An isoflavonoid derived from soy products. It inhibits protein-tyrosine kinase and topoisomerase-II (DNA topoisomerases, type II) activity and is used as an antineoplastic and antitumor agent. Experimentally, it has been shown to induce G2 phase arrest in human and murine cell lines. Additionally, genistein has antihelmintic activity. It has been determined to be the active ingredient in Felmingia vestita, which is a plant traditionally used against worms. It has shown to be effective in the treatment of common liver fluke, pork trematode and poultry cestode. Further, genistein is a phytoestrogen which has selective estrogen receptor modulator properties. It has been investigated in clinical trials as an alternative to classical hormone therapy to help prevent cardiovascular disease in postmenopausal women. Natural sources of genistein include tofu, fava beans, soybeans, kudzu, and lupin. Genistein is a natural product found in Pterocarpus indicus, Ficus septica, and other organisms with data available. Genistein is a soy-derived isoflavone and phytoestrogen with antineoplastic activity. Genistein binds to and inhibits protein-tyrosine kinase, thereby disrupting signal transduction and inducing cell differentiation. This agent also inhibits topoisomerase-II, leading to DNA fragmentation and apoptosis, and induces G2/M cell cycle arrest. Genistein exhibits antioxidant, antiangiogenic, and immunosuppressive activities. (NCI04) Genistein is one of several known isoflavones. Isoflavones compounds, such as genistein and daidzein, are found in a number of plants, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Genistein is a natural bioactive compound derived from legumes and has drawn because of its potentially beneficial effects on some human degenerative diseases. It has a weak estrogenic effect and is a well-known non-specific tyrosine kinase inhibitor at pharmacological doses. Epidemiological studies show that genistein intake is inversely associated with the risk of cardiovascular diseases. Data suggests a protective role of genistein in cardiovascular events. However, the mechanisms of the genistein action on vascular protective effects are unclear. Past extensive studies exploring its hypolipidemic effect resulted in contradictory data. Genistein also is a relatively poor antioxidant. However, genistein protects against pro-inflammatory factor-induced vascular endothelial barrier dysfunction and inhibits leukocyte-endothelium interaction, thereby modulating vascular inflammation, a major event in the pathogenesis of atherosclerosis. Genistein exerts a non-genomic action by targeting on important signaling molecules in vascular endothelial cells (ECs). Genistein rapidly activates endothelial nitric oxide synthase and production of nitric oxide in ECs. This genistein effect is novel since it is independent of its known effects, but mediated by the cyclic adenosine monophosphate/protein kinase A (cAMP/PKA) cascade. Genistein directly stimulates the plasma membrane-associated adenylate cyclases, leading to activation of the cAMP signaling pathway. In addition, genistein activates peroxisome proliferator-activated receptors, ligand-activated nuclear receptors important to normal vascular function. Furthermore, genistein reduces reactive oxygen species (ROS) by attenuating the expression of ROS-producing enzymes. These findings reveal the roles for genistein in the regulation of vascular function and provide a basis for further investigating its therapeutic potential f... Genistein is one of several known isoflavones. Isoflavones compounds, such as genistein and daidzein, are found in a number of plants, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Genistein is a natural bioactive compound derived from legumes and has drawn because of its potentially beneficial effects on some human degenerative diseases. It has a weak estrogenic effect and is a well-known non-specific tyrosine kinase inhibitor at pharmacological doses. Epidemiological studies show that genistein intake is inversely associated with the risk of cardiovascular diseases. Data suggests a protective role of genistein in cardiovascular events. However, the mechanisms of the genistein action on vascular protective effects are unclear. Past extensive studies exploring its hypolipidemic effect resulted in contradictory data. Genistein also is a relatively poor antioxidant. However, genistein protects against pro-inflammatory factor-induced vascular endothelial barrier dysfunction and inhibits leukocyte-endothelium interaction, thereby modulating vascular inflammation, a major event in the pathogenesis of atherosclerosis. Genistein exerts a non-genomic action by targeting on important signaling molecules in vascular endothelial cells (ECs). Genistein rapidly activates endothelial nitric oxide synthase and production of nitric oxide in ECs. This genistein effect is novel since it is independent of its known effects, but mediated by the cyclic adenosine monophosphate/protein kinase A (cAMP/PKA) cascade. Genistein directly stimulates the plasma membrane-associated adenylate cyclases, leading to activation of the cAMP signaling pathway. In addition, genistein activates peroxisome proliferator-activated receptors, ligand-activated nuclear receptors important to normal vascular function. Furthermore, genistein reduces reactive oxygen species (ROS) by attenuating the expression of ROS-producing enzymes. These findings reveal the roles for genistein in the regulation of vascular function and provide a basis for further investigating its therapeutic potential for inflammatory-related vascular disease. (PMID:17979711). Genistein is a biomarker for the consumption of soy beans and other soy products. Genistein is a phenolic compound belonging to the isoflavonoid group. Isoflavonoids are found mainly in soybean. Genistein and daidzein (an other isoflavonoid) represent the major phytochemicals found in this plant. Health benefits (e.g. reduced risk for certain cancers and diseases of old age) associated to soya products consumption have been observed in East Asian populations and several epidemiological studies. This association has been linked to the action of isoflavonoids. With a chemical structure similar to the hormone 17-b-estradiol, soy isoflavones are able to interact with the estrogen receptor. They also possess numerous biological activities. (PMID: 15540649). Genistein is a biomarker for the consumption of soy beans and other soy products. A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4. It is a phytoestrogenic isoflavone with antioxidant properties. C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D020011 - Protective Agents > D016588 - Anticarcinogenic Agents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5085; ORIGINAL_PRECURSOR_SCAN_NO 5082 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8554; ORIGINAL_PRECURSOR_SCAN_NO 8550 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5097; ORIGINAL_PRECURSOR_SCAN_NO 5094 ORIGINAL_ACQUISITION_NO 5097; CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 5094 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5104; ORIGINAL_PRECURSOR_SCAN_NO 5099 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8558; ORIGINAL_PRECURSOR_SCAN_NO 8556 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5082; ORIGINAL_PRECURSOR_SCAN_NO 5079 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8540; ORIGINAL_PRECURSOR_SCAN_NO 8539 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8556; ORIGINAL_PRECURSOR_SCAN_NO 8554 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8561; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5096; ORIGINAL_PRECURSOR_SCAN_NO 5093 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8572; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 765; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5090; ORIGINAL_PRECURSOR_SCAN_NO 5089 CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3265 IPB_RECORD: 441; CONFIDENCE confident structure CONFIDENCE standard compound; INTERNAL_ID 4238 CONFIDENCE standard compound; INTERNAL_ID 8827 CONFIDENCE standard compound; INTERNAL_ID 2419 CONFIDENCE standard compound; INTERNAL_ID 4162 CONFIDENCE standard compound; INTERNAL_ID 176 Genistein, a soy isoflavone, is a multiple tyrosine kinases (e.g., EGFR) inhibitor which acts as a chemotherapeutic agent against different types of cancer, mainly by altering apoptosis, the cell cycle, and angiogenesis and inhibiting metastasis. Genistein, a soy isoflavone, is a multiple tyrosine kinases (e.g., EGFR) inhibitor which acts as a chemotherapeutic agent against different types of cancer, mainly by altering apoptosis, the cell cycle, and angiogenesis and inhibiting metastasis.

   

2'-Hydroxydaidzein

2,4,7-Trihydroxyisoflavone; 2-Hydroxydaidzein; 7,2,4-Trihydroxyisoflavone

C15H10O5 (270.0528)


2-hydroxydaidzein is a hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 2. It has a role as an anti-inflammatory agent. It is functionally related to a daidzein. It is a conjugate acid of a 2-hydroxydaidzein(1-). 2-Hydroxydaidzein is a natural product found in Viola hondoensis, Crotalaria pallida, and other organisms with data available. Isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus lunatus (butter bean). 2-Hydroxydaidzein is found in many foods, some of which are butternut squash, ginger, summer grape, and yam. 2-Hydroxydaidzein is found in common bean. 2-Hydroxydaidzein is isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus lunatus (butter bean A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 2. 2′-Hydroxydaidzein is a metabolite. 2′-Hydroxydaidzein inhibits the release of chemical mediator from inflammatory cells. 2′-Hydroxydaidzein significantly inhibits lysozyme and β-glucuronidase release from rat neutrophils, which is stimulated with fMLP/CB, respectively[1].

   

Isoflavone

3-phenyl-4H-1-benzopyran-4-one

C15H10O2 (222.0681)


Isoflavones are a class of phytochemicals related to the isoflavonoids. Isoflavones are produced almost exclusively by the members of the Fabaceae (i.e., Leguminosae, or bean) family. Soy isoflavones consumption has been related to a lower incidence of breast cancer and other common cancers. [Wikipedia]. Isoflavones is found in soy bean. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].

   

Glycitein

7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

C16H12O5 (284.0685)


Glycitein is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4. It has been isolated from the mycelia of the fungus Cordyceps sinensis. It has a role as a plant metabolite, a phytoestrogen and a fungal metabolite. It is a methoxyisoflavone and a 7-hydroxyisoflavone. It is functionally related to an isoflavone. Glycitein is a natural product found in Psidium guajava, Ammopiptanthus mongolicus, and other organisms with data available. Glycitein is a soy isoflavone. It is a minor component in most soy products. Its role of reducing low-density lipoprotein cholesterol is not clear. Glycitein is metabolized by human gut microorganisms and may follow metabolic pathways similar to other soy isoflavones (PMID: 12011578; 16248547). Glycitein is a biomarker for the consumption of soy beans and other soy products. Isoflavone present in soya foods (inc. tofu, miso); potential nutriceutical [DFC]. Glycitein is a biomarker for the consumption of soy beans and other soy products. Glycitein is found in many foods, some of which are miso, soy bean, soy milk, and soy sauce. A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4. It has been isolated from the mycelia of the fungus Cordyceps sinensis. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Glycitein is a soy isoflavone used to study apoptosis and antioxidant. Glycitein is a soy isoflavone used to study apoptosis and antioxidant.

   

Daidzein

7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

C15H10O4 (254.0579)


Daidzein is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4. It has a role as an antineoplastic agent, a phytoestrogen, a plant metabolite, an EC 3.2.1.20 (alpha-glucosidase) inhibitor and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is a conjugate acid of a daidzein(1-). Daidzein is a natural product found in Pericopsis elata, Thermopsis lanceolata, and other organisms with data available. Daidzein is an isoflavone extract from soy, which is an inactive analog of the tyrosine kinase inhibitor genistein. It has antioxidant and phytoestrogenic properties. (NCI) Daidzein is one of several known isoflavones. Isoflavones compounds are found in a number of plants, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Up until recently, daidzein was considered to be one of the most important and most studied isoflavones, however more recently attention has shifted to isoflavone metabolites. Equol represents the main active product of daidzein metabolism, produced via specific microflora in the gut. The clinical effectiveness of soy isoflavones may be a function of the ability to biotransform soy isoflavones to the more potent estrogenic metabolite, equol, which may enhance the actions of soy isoflavones, owing to its greater affinity for estrogen receptors, unique antiandrogenic properties, and superior antioxidant activity. However, not all individuals consuming daidzein produce equol. Only approximately one-third to one-half of the population is able to metabolize daidzein to equol. This high variability in equol production is presumably attributable to interindividual differences in the composition of the intestinal microflora, which may play an important role in the mechanisms of action of isoflavones. But, the specific bacterial species in the colon involved in the production of equol are yet to be discovered. (A3191, A3189). See also: Trifolium pratense flower (part of). Daidzein is one of several known isoflavones. Isoflavones compounds are found in a number of plants, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Up until recently, daidzein was considered to be one of the most important and most studied isoflavones, however more recently attention has shifted to isoflavone metabolites. Equol represents the main active product of daidzein metabolism, produced via specific microflora in the gut. The clinical effectiveness of soy isoflavones may be a function of the ability to biotransform soy isoflavones to the more potent estrogenic metabolite, equol, which may enhance the actions of soy isoflavones, owing to its greater affinity for estrogen receptors, unique antiandrogenic properties, and superior antioxidant activity. However, not all individuals consuming daidzein produce equol. Only approximately one-third to one-half of the population is able to metabolize daidzein to equol. This high variability in equol production is presumably attributable to interindividual differences in the composition of the intestinal microflora, which may play an important role in the mechanisms of action of isoflavones. But, the specific bacterial species in the colon involved in the production of equol are yet to be discovered. (PMID:18045128, 17579894). Daidzein is a biomarker for the consumption of soy beans and other soy products. Widespread isoflavone in the Leguminosae, especies Phaseolus subspecies (broad beans, lima beans); also found in soy and soy products (tofu, miso), chick peas (Cicer arietinum) and peanuts (Arachis hypogaea). Nutriceutical with anticancer and bone protective props. A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4894; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3575; ORIGINAL_PRECURSOR_SCAN_NO 3572 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4858; ORIGINAL_PRECURSOR_SCAN_NO 4855 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7978; ORIGINAL_PRECURSOR_SCAN_NO 7973 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4898; ORIGINAL_PRECURSOR_SCAN_NO 4894 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4884; ORIGINAL_PRECURSOR_SCAN_NO 4881 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7989; ORIGINAL_PRECURSOR_SCAN_NO 7985 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7952; ORIGINAL_PRECURSOR_SCAN_NO 7950 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4852; ORIGINAL_PRECURSOR_SCAN_NO 4847 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7907; ORIGINAL_PRECURSOR_SCAN_NO 7904 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7956; ORIGINAL_PRECURSOR_SCAN_NO 7952 CONFIDENCE standard compound; INTERNAL_ID 937; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7917; ORIGINAL_PRECURSOR_SCAN_NO 7913 CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2315 IPB_RECORD: 1801; CONFIDENCE confident structure IPB_RECORD: 421; CONFIDENCE confident structure CONFIDENCE standard compound; INTERNAL_ID 8828 CONFIDENCE standard compound; INTERNAL_ID 2874 CONFIDENCE standard compound; INTERNAL_ID 4239 CONFIDENCE standard compound; INTERNAL_ID 4163 CONFIDENCE standard compound; INTERNAL_ID 181 Daidzein is a soy isoflavone, which acts as a PPAR activator. Daidzein is a soy isoflavone, which acts as a PPAR activator. Daidzein is a soy isoflavone, which acts as a PPAR activator.

   

Pseudobaptigenin

3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one, 9ci

C16H10O5 (282.0528)


Isolated from Pisum sativum (pea) and Trifolium pratense (red clover). Pseudobaptigenin is found in many foods, some of which are canada blueberry, oval-leaf huckleberry, radish, and lentils. Pseudobaptigenin is found in herbs and spices. Pseudobaptigenin is isolated from Pisum sativum (pea) and Trifolium pratense (red clover).

   

6-Hydroxydaidzein

6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI

C15H10O5 (270.0528)


6-Hydroxydaidzein is found in pulses. 6-Hydroxydaidzein is isolated from fermented soybeans (Glycine max Isolated from fermented soybeans (Glycine max). 6-Hydroxydaidzein is found in soy bean and pulses.

   

3'-Hydroxydaidzein

3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one

C15H10O5 (270.0528)


3-Hydroxydaidzein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer] 7,3',4'-Trihydroxyisoflavone, a major metabolite of Daidzein, is an ATP-competitive inhibitor of Cot (Tpl2/MAP3K8) and MKK4. 7,3',4'-Trihydroxyisoflavone has anticancer, anti-angiogenic, chemoprotective, and free radical scavenging activities[1][2].

   

Tectorigenin

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-

C16H12O6 (300.0634)


Tectorigenin is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4 respectively. It has a role as an anti-inflammatory agent and a plant metabolite. It is a member of 7-hydroxyisoflavones and a methoxyisoflavone. It is functionally related to an isoflavone. Tectorigenin is a natural product found in Iris milesii, Dalbergia sissoo, and other organisms with data available. Tectorigenin is an isoflavone from Pueraria thunbergiana, which induces differentiation and apoptosis in cancer cells. (NCI) Tectorigenin is an O-methylated isoflavone, a type of flavonoid. It can be isolated from leopard lily (Belamcanda chinensis) or Pueraria thunbergiana. A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4 respectively. C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor A polyphenol metabolite detected in biological fluids [PhenolExplorer] C471 - Enzyme Inhibitor > C1017 - Glucuronidase Inhibitor Tectorigenin is a plant isoflavonoid originally isolated from the dried flower of Pueraria lobate Benth. Tectorigenin is a plant isoflavonoid originally isolated from the dried flower of Pueraria lobate Benth.

   

Licoisoflavone A

[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI

C20H18O6 (354.1103)


Constituent of Phaseolus vulgaris (kidney bean). Licoisoflavone A is found in many foods, some of which are yellow wax bean, common bean, white lupine, and green bean. Licoisoflavone A is found in common bean. Licoisoflavone A is a constituent of Phaseolus vulgaris (kidney bean). Licoisoflavone A is an isoflavone[1]. Licoisoflavone A inhibits lipid peroxidation with an IC50 of 7.2 μM[1]. Licoisoflavone A is an isoflavone[1]. Licoisoflavone A inhibits lipid peroxidation with an IC50 of 7.2 μM[1].

   

2'-Hydroxygenistein

3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI

C15H10O6 (286.0477)


Isolated from Cajanus cajan (pigeon pea), Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus vulgaris (kidney bean) and Phaseolus coccineus (scarlet runner bean). 2-Hydroxygenistein is found in many foods, some of which are pulses, walnut, saskatoon berry, and garden tomato (variety). 2-Hydroxygenistein is found in adzuki bean. 2-Hydroxygenistein is isolated from Cajanus cajan (pigeon pea), Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus vulgaris (kidney bean) and Phaseolus coccineus (scarlet runner bean).

   

3'-Hydroxygenistein

4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

C15H10O6 (286.0477)


Orobol is a member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3 and 4. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as an anti-inflammatory agent, a radical scavenger, a plant metabolite and a fungal metabolite. It is functionally related to an isoflavone. Orobol is a natural product found in Tritirachium, Ammopiptanthus mongolicus, and other organisms with data available. A member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3 and 4. It has been isolated from the mycelia of Cordyceps sinensis. 3-Hydroxygenistein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

Betavulgarin

7-(2-hydroxyphenyl)-9-methoxy-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C17H12O6 (312.0634)


Betavulgarin, also known as 2-hydroxy-5-methoxy-6,7-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, betavulgarin is considered to be a flavonoid lipid molecule. Betavulgarin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Betavulgarin can be found in chickpea, common beet, and red beetroot, which makes betavulgarin a potential biomarker for the consumption of these food products.

   

Irilone

9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one, 9ci

C16H10O6 (298.0477)


Irilone is found in herbs and spices. Irilone is a constituent of Trifolium pratense (red clover). Constituent of Trifolium pratense (red clover). Irilone is found in tea and herbs and spices.

   

2',4',5,7-Tetrahydroxy-8-prenylisoflavone

4H-1-BENZOPYRAN-4-ONE, 3-(2,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-8-(3-METHYL-2-BUTEN-1-YL)-

C20H18O6 (354.1103)


Isolated from Phaseolus lunatus (butter bean) and Phaseolus vulgaris (kidney bean). 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is found in many foods, some of which are common bean, yellow wax bean, pulses, and lima bean. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is a member of isoflavones. 2,3-Dehydrokievitone is a natural product found in Erythrina sacleuxii, Lupinus luteus, and other organisms with data available. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is found in common bean. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is isolated from Phaseolus lunatus (butter bean) and Phaseolus vulgaris (kidney bean).

   

Lupiwighteone

5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one; 8-Prenylgenistein

C20H18O5 (338.1154)


Lupiwighteone is a member of isoflavones. Lupiwighteone is a natural product found in Anthyllis hermanniae, Erythrina sigmoidea, and other organisms with data available. Isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean). Lupiwighteone is found in herbs and spices, pulses, and adzuki bean. Lupiwighteone is found in adzuki bean. Lupiwighteone is isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean).

   

3'-(gamma,gamma-Dimethylallyl)genistein

5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9CI

C20H18O5 (338.1154)


Isowighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. It has a role as a plant metabolite. It is functionally related to an isoflavone. Isowighteone is a natural product found in Sophora tomentosa, Erythrina addisoniae, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea. 3-(gamma,gamma-Dimethylallyl)genistein is isolated from Cajanus cajan (pigeon pea). Isolated from Cajanus cajan (pigeon pea). 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea and pulses.

   

Glicoricone

3-[4,6-Dihydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-4H-1-benzopyran-4-one

C21H20O6 (368.126)


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.

   

Ipriflavone

7-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one

C18H16O3 (280.1099)


M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization Feed additive, catabolic agent. Feed additive, catabolic agent

   

5,7-Dihydroxyisoflavone

5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one, 9ci

C15H10O4 (254.0579)


5,7-Dihydroxyisoflavone is found in nuts. 5,7-Dihydroxyisoflavone is isolated from hydrolysed flour of Arachis hypogaea (peanut) Mefenamic acid, an anthranilic acid derivative, is a member of the fenamate group of nonsteroidal anti-inflammatory drugs (NSAIDs). It exhibits anti-inflammatory, analgesic, and antipyretic activities. Similar to other NSAIDs, mefenamic acid inhibits prostaglandin synthetase D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors Isolated from hydrolysed flour of Arachis hypogaea (peanut). 5,7-Dihydroxyisoflavone is found in peanut and nuts. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

8-Hydroxydaidzein

7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9ci

C15H10O5 (270.0528)


8-Hydroxydaidzein is found in pulses. 8-Hydroxydaidzein is isolated from Streptomyces sp. OH-1049 cultured on soybean meal. Isolated from Streptomyces species OH-1049 cultured on soybean meal. 8-Hydroxydaidzein is found in soy bean and pulses.

   

Gancaonin L

3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9ci

C20H18O6 (354.1103)


Gancaonin L is found in herbs and spices. Gancaonin L is isolated from the aerial parts of Glycyrrhiza uralensis (Chinese licorice). Isolated from the aerial parts of Glycyrrhiza uralensis (Chinese licorice). Gancaonin L is found in herbs and spices.

   

2,3-Dehydrokievitol

3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-4H-chromen-4-one

C20H18O7 (370.1052)


2,3-Dehydrokievitol is found in lima bean. 2,3-Dehydrokievitol is isolated from Phaseolus lunatus (butter bean) induced with aqueous CuCl2. Isolated from Phaseolus lunatus (butter bean) induced with aq. CuCl2. 2,3-Dehydrokievitol is found in pulses and lima bean.

   

5,6,7,4'-Tetrahydroxyisoflavone

5,6,7-trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

C15H10O6 (286.0477)


5,6,7,4-Tetrahydroxyisoflavone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

Glyzarin

8-Acetyl-7-hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9ci

C18H14O4 (294.0892)


Glyzarin is found in herbs and spices. Glyzarin is a constituent of Glycyrrhiza glabra (licorice)

   

Shoyuflavone A

2-hydroxy-3-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}butanedioic acid

C19H14O9 (386.0638)


Shoyuflavone A is found in herbs and spices. Shoyuflavone A is isolated from fermented soy sauce. Shoyuflavone A is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone A is found in herbs and spices.

   

2',4',5,7,8-Pentahydroxyisoflavone

3-(2,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4H-1-benzopyran-4-one, 9ci

C15H10O7 (302.0427)


2,4,5,7,8-Pentahydroxyisoflavone is found in lima bean. 2,4,5,7,8-Pentahydroxyisoflavone is a constituent of Phaseolus lunatus (butter bean). Constituent of Phaseolus lunatus (butter bean). 2,4,5,7,8-Pentahydroxyisoflavone is found in pulses and lima bean.

   

Shoyuflavone B

2-hydroxy-3-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}butanedioic acid

C19H14O10 (402.0587)


Shoyuflavone B is found in herbs and spices. Shoyuflavone B is isolated from fermented soy sauce. Shoyuflavone B is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone B is found in herbs and spices.

   

Gancaonin C

5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-3-(4-hydroxyphenyl)-4H-chromen-4-one

C20H18O6 (354.1103)


Gancaonin C is found in herbs and spices. Gancaonin C is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin C is found in herbs and spices.

   

7-Hydroxy-2-methylisoflavone

7-Hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9ci

C16H12O3 (252.0786)


7-Hydroxy-2-methylisoflavone is found in herbs and spices. 7-Hydroxy-2-methylisoflavone is isolated from roots of Glycyrrhiza glabra (licorice). Isolated from roots of Glycyrrhiza glabra (licorice). 7-Hydroxy-2-methylisoflavone is found in tea and herbs and spices.

   

7-Acetoxy-2-methylisoflavone

2-Methyl-4-oxo-3-phenyl-4H-chromen-7-yl acetic acid

C18H14O4 (294.0892)


7-Acetoxy-2-methylisoflavone is found in herbs and spices. 7-Acetoxy-2-methylisoflavone is isolated from Glycyrrhiza glabra (licorice

   

Barpisoflavone A

3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one

C16H12O6 (300.0634)


Barpisoflavone A is found in scarlet bean. Barpisoflavone A is a constituent of Phaseolus coccineus (scarlet runner bean) Constituent of Phaseolus coccineus (scarlet runner bean). Barpisoflavone A is found in scarlet bean.

   

Betavulgarin glucoside

9-methoxy-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C23H22O11 (474.1162)


Betavulgarin glucoside is found in root vegetables. Betavulgarin glucoside is isolated from Beta vulgaris (suger beet) infected with Rhizoctonia solani as a phytoalexin. Isolated from Beta vulgaris (suger beet) infected with Rhizoctonia solani as a phytoalexin. Betavulgarin glucoside is found in root vegetables.

   

Shoyuflavone C

2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-hydroxybutanedioic acid

C19H14O11 (418.0536)


Shoyuflavone C is found in herbs and spices. Shoyuflavone C is isolated from fermented soy sauce. Shoyuflavone C is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone C is found in herbs and spices.

   

3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one

3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one

C20H16O6 (352.0947)


3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is found in pulses. 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is isolated from seedlings of Cajanus cajan (pigeon pea). Isolated from seedlings of Cajanus cajan (pigeon pea). 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is found in pulses.

   

Dehydroneotenone

6-(6-methoxy-2H-1,3-benzodioxol-5-yl)-5H-furo[3,2-g]chromen-5-one

C19H12O6 (336.0634)


Dehydroneotenone is found in jicama. Dehydroneotenone is isolated from Pachyrrhizus erosus (yam bean). Isolated from Pachyrrhizus erosus (yam bean). Dehydroneotenone is found in jicama and pulses.

   

Glyurallin B

3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

C25H26O6 (422.1729)


Glyurallin B is found in herbs and spices. Glyurallin B is a constituent of Glycyrrhiza uralensis (Chinese licorice)

   

Glyzaglabrin

7-hydroxy-3-(4-hydroxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one

C16H10O6 (298.0477)


Glyzaglabrin is found in herbs and spices. Glyzaglabrin is isolated from root of Glycyrrhiza glabra (licorice). Isolated from root of Glycyrrhiza glabra (licorice). Glyzaglabrin is found in tea and herbs and spices.

   

Endomorphin-2

(2S)-2-({[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-N-[(1S)-1-(C-hydroxycarbonimidoyl)-2-phenylethyl]-3-phenylpropanimidate

C32H37N5O5 (571.2795)


Endomorphin-1 (H-Tyr-Pro-Trp-Phe-NH2) and endomorphin-2 (H-Tyr-Pro-Phe-Phe-NH2) are peptide amides with the highest known affinity and specificity for the mu-opioid receptor. [HMDB] Endomorphin-1 (H-Tyr-Pro-Trp-Phe-NH2) and endomorphin-2 (H-Tyr-Pro-Phe-Phe-NH2) are peptide amides with the highest known affinity and specificity for the mu-opioid receptor. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   

4',7-Dihydroxy-2',5-dimethoxyisoflavone

7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-4H-chromen-4-one

C17H14O6 (314.079)


4,7-Dihydroxy-2,5-dimethoxyisoflavone is found in pulses. 4,7-Dihydroxy-2,5-dimethoxyisoflavone is from Phaseolus coccineus (scarlet runner bean

   

Betavulgarin xyloside

9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C22H20O10 (444.1056)


Betavulgarin xyloside is found in root vegetables. Betavulgarin xyloside is a constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Betavulgarin xyloside is found in root vegetables.

   

4'-O-Methyldelphinidin 3-O-beta-D-glucoside

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C22H23O12 (479.1189)


4-O-Methyldelphinidin 3-O-beta-D-glucoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

5,6,7,3',4'-Pentahydroxyisoflavone

3-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one

C15H10O7 (302.0427)


5,6,7,3,4-Pentahydroxyisoflavone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

5,7,8,3',4'-Pentahydroxyisoflavone

3-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one

C15H10O7 (302.0427)


5,7,8,3,4-Pentahydroxyisoflavone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

7,8,3',4'-Tetrahydroxyisoflavone

3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one

C15H10O6 (286.0477)


7,8,3,4-Tetrahydroxyisoflavone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

Tectorigenin 4'-sulfate

[4-(5,7-Dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl)phenyl]oxidanesulphonic acid

C16H12O9S (380.0202)


Tectorigenin 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Tectorigenin 7-sulfate

[5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxidanesulphonic acid

C16H12O9S (380.0202)


Tectorigenin 7-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Genistein 7-sulfate

[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid

C15H10O8S (350.0096)


   

Daidzein 4'-sulfate

[4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl]oxidanesulfonic acid

C15H10O7S (334.0147)


   

Daidzein sulfate

7-hydroxy-12-(4-hydroxyphenyl)-2,4,13-trioxa-3lambda6-thiatricyclo[7.3.1.0^{5,10}]trideca-1(12),5,7,9-tetraene-3,3,11-trione

C15H8O8S (347.994)


   

Fibrinopeptide B

(4S)-4-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-2-phenylethyl]-C-hydroxycarbonimidoyl}-2-phenylethyl]-C-hydroxycarbonimidoyl}methyl)-C-hydroxycarbonimidoyl]-3-carboxypropyl]-C-hydroxycarbonimidoyl}-4-{[(2S)-2-{[(2S)-3-carboxy-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[1-hydroxy-2-({hydroxy[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene}amino)ethylidene]amino}-3-methylbutylidene]amino}-3-(C-hydroxycarbonimidoyl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}butanoic acid

C66H93N19O25 (1551.659)


   

2-[(4-Oxo-3-phenyl-4H-chromen-7-YL)oxy]propanoic acid

2-[(4-Oxo-3-phenyl-4H-chromen-7-YL)oxy]propanoic acid

C18H14O5 (310.0841)


   

Corylifol A

3-[3-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxyphenyl]-7-hydroxy-4H-chromen-4-one

C25H26O4 (390.1831)


   

Neobavaisoflavone

7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one

C20H18O4 (322.1205)


   

5-O-Methylgenistein

7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one

C16H12O5 (284.0685)


5-o-methylgenistein is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, 5-o-methylgenistein is considered to be a flavonoid lipid molecule. 5-o-methylgenistein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-o-methylgenistein can be found in scarlet bean, which makes 5-o-methylgenistein a potential biomarker for the consumption of this food product.

   

Dillanol

1,3-dihydroxy-10-methoxy-12H-5-oxatetraphen-12-one

C18H12O5 (308.0685)


Dillanol is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Dillanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dillanol can be found in dill, which makes dillanol a potential biomarker for the consumption of this food product.

   

Dillanoside

1-hydroxy-10-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12H-5-oxatetraphen-12-one

C24H22O10 (470.1213)


Dillanoside is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Dillanoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dillanoside can be found in dill, which makes dillanoside a potential biomarker for the consumption of this food product.

   

Irisone B

9-hydroxy-7-(2-hydroxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C16H10O6 (298.0477)


Irisone b, also known as 2,5-dihydroxy-6,7-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, irisone b is considered to be a flavonoid lipid molecule. Irisone b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Irisone b can be found in common beet, which makes irisone b a potential biomarker for the consumption of this food product.

   

8-Hydroxygenistein

5,7,8-trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

C15H10O6 (286.0477)


8-hydroxygenistein is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. 8-hydroxygenistein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-hydroxygenistein can be found in a number of food items such as scarlet bean, mung bean, lima bean, and adzuki bean, which makes 8-hydroxygenistein a potential biomarker for the consumption of these food products.

   

Isotectorigenin

5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-4H-chromen-4-one

C16H12O6 (300.0634)


Isolated from Dalbergia sissoo bark, Millettia auriculata seeds and metabolite of Aspergillus niger [CCD]. A polyphenol metabolite detected in biological fluids [PhenolExplorer] Isolated from Dalbergia sissoo bark, Millettia auriculata seeds and metabolite of Aspergillus niger [CCD]

   

2'-hydroxypseudobaptigenin

5,7-dihydroxy-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one

C16H10O7 (314.0427)


2-hydroxypseudobaptigenin is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. 2-hydroxypseudobaptigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxypseudobaptigenin can be found in a number of food items such as sorghum, cucurbita (gourd), rubus (blackberry, raspberry), and pineapple, which makes 2-hydroxypseudobaptigenin a potential biomarker for the consumption of these food products.

   

Isolupalbigenin

5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

C25H26O5 (406.178)


   

Umbralisib

2-[(1S)-1-{4-amino-3-[3-fluoro-4-(propan-2-yloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl]-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one

C31H24F3N5O3 (571.1831)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor