Exact Mass: 272.0658
Exact Mass Matches: 272.0658
Found 500 metabolites which its exact mass value is equals to given mass value 272.0658,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Naringenin
Naringenin is a flavorless, colorless flavanone, a type of flavonoid. It is the predominant flavanone in grapefruit, and is found in a variety of fruits and herbs. Naringenin has the skeleton structure of a flavanone with three hydroxy groups at the 4, 5, and 7 carbons. It may be found both in the aglycol form, naringenin, or in its glycosidic form, naringin, which has the addition of the disaccharide neohesperidose attached via a glycosidic linkage at carbon 7. Naringenin (not to be confused with naringin) is a flavanone that is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, antiinflammatory, carbohydrate metabolism promoter, immunity system modulater. This substance has also been shown to repair DNA. Scientists exposed cells to 80 micomoles of naringenin per liter, for 24 hours, and found that the amount of hydroxyl damage to the DNA was reduced by 24 percent in that very short period of time. Unfortunately, this bioflavonoid is difficult to absorb on oral ingestion. Only 15\\\\\\\% of ingested naringenin will get absorbed, in the human gastrointestinal tract, in the best case scenario. A full glass of orange juice will supply about enough naringenin to achieve a concentration of about 0.5 micromoles per liter. Naringenin is a biomarker for the consumption of citrus fruits. (S)-naringenin is the (S)-enantiomer of naringenin. It has a role as an expectorant and a plant metabolite. It is a naringenin and a (2S)-flavan-4-one. It is a conjugate acid of a (S)-naringenin(1-). It is an enantiomer of a (R)-naringenin. Naringenin is a natural product found in Elaeodendron croceum, Garcinia multiflora, and other organisms with data available. See also: Naringin (related). Most widely distributed flavanone. Citrus fruits (grapefruit, oranges and pummelos) are especially good sources. Glycosides also widely distributed The (S)-enantiomer of naringenin. [Raw Data] CB070_Naringenin_pos_20eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_10eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_40eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_30eV_CB000030.txt [Raw Data] CB070_Naringenin_pos_50eV_CB000030.txt [Raw Data] CB070_Naringenin_neg_10eV_000021.txt [Raw Data] CB070_Naringenin_neg_30eV_000021.txt [Raw Data] CB070_Naringenin_neg_50eV_000021.txt [Raw Data] CB070_Naringenin_neg_20eV_000021.txt [Raw Data] CB070_Naringenin_neg_40eV_000021.txt (±)-Naringenin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=67604-48-2 (retrieved 2024-07-09) (CAS RN: 67604-48-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.
Chalconaringenin
2,4,4,6-tetrahydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2 ,4, 4, and 6 respectively. It has a role as a metabolite, an anti-allergic agent and an anti-inflammatory agent. It is a polyphenol and a member of chalcones. It is functionally related to a trans-chalcone. Naringenin chalcone is a natural product found in Populus koreana, Populus tremula, and other organisms with data available. Isolated from tomato fruit cuticles. Chalconaringenin is found in many foods, some of which are cherry tomato, lettuce, greenthread tea, and lemon. A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2 ,4, 4, and 6 respectively. Chalconaringenin is found in garden tomato. Chalconaringenin is isolated from tomato fruit cuticle Naringenin chalcone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5071-40-9 (retrieved 2024-07-12) (CAS RN: 25515-46-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Butein
Butein is a chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2, 3, 4 and 4. It has a role as a tyrosine kinase inhibitor, an antioxidant, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an antineoplastic agent, a geroprotector, a radiosensitizing agent, a hypoglycemic agent and a plant metabolite. It is a member of chalcones and a polyphenol. Butein is a natural product found in Dahlia pinnata, Calanticaria bicolor, and other organisms with data available. Butein is a flavonoid obtained from the seed of Cyclopia subternata. It is a specific protein tyrosine kinase inhibitor that induces apoptosis. (NCI) See also: Semecarpus anacardium juice (part of). A chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2, 3, 4 and 4. C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Butein, also known as 2,3,4,4-tetrahydroxychalcone, is a member of the class of compounds known as 2-hydroxychalcones. 2-hydroxychalcones are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2-position. Thus, butein is considered to be a flavonoid lipid molecule. Butein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Butein is a bitter tasting compound found in broad bean, which makes butein a potential biomarker for the consumption of this food product. Butein is a chalcone of the chalconoids. It can be found in Toxicodendron vernicifluum (or formerly Rhus verniciflua), Dahlia, Butea (Butea monosperma) and Coreopsis It has antioxidative, aldose reductase and advanced glycation endproducts inhibitory effects. It is also a sirtuin-activating compound, a chemical compound having an effect on sirtuins, a group of enzymes that use NAD+ to remove acetyl groups from proteins. It turned out that buteins possess a high ability to inhibit aromatase process in the human body, for this reason, the use of these compounds in the treatment of breast cancer on the estrogen ground has been taken into account. The first attempts of sport pro-hormone supplementation with the use of buteins took place in Poland . Butein is a cAMP-specific PDE inhibitor with an IC50 of 10.4 μM for PDE4[1]. Butein is a specific protein tyrosine kinase inhibitor with IC50s of 16 and 65 μM for EGFR and p60c-src in HepG2 cells[2]. Butein sensitizes HeLa cells to Cisplatin through AKT and ERK/p38 MAPK pathways by targeting FoxO3a[3]. Butein is a SIRT1 activator (STAC). Butein is a cAMP-specific PDE inhibitor with an IC50 of 10.4 μM for PDE4[1]. Butein is a specific protein tyrosine kinase inhibitor with IC50s of 16 and 65 μM for EGFR and p60c-src in HepG2 cells[2]. Butein sensitizes HeLa cells to Cisplatin through AKT and ERK/p38 MAPK pathways by targeting FoxO3a[3]. Butein is a SIRT1 activator (STAC).
Pinobanksin
Pinobanksin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. It has a role as an antimutagen, an antioxidant and a metabolite. It is a trihydroxyflavanone and a secondary alpha-hydroxy ketone. Pinobanksin is a natural product found in Populus koreana, Ozothamnus stirlingii, and other organisms with data available. Pinobanksin has apoptotic induction in a B-cell lymphoma cell line[1].
Garbanzol
Garbanzol is a member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4. It has a role as an antimutagen and a metabolite. It is a trihydroxyflavanone, a member of dihydroflavonols, a secondary alpha-hydroxy ketone and a member of 4-hydroxyflavanones. Garbanzol is a natural product found in Pterocarpus marsupium, Brucea javanica, and other organisms with data available. See also: Pterocarpus marsupium wood (part of). A member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4. Garbanzol is found in Cicer arietinum (chickpea) and Capsella bursa-pastoris (shepherds purse).
Butin_(molecule)
Butin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 4 and 7. It is found in Acacia mearnsii, Vernonia anthelmintica and Dalbergia odorifera and has a protective affect against oxidative stress-induced mitochondrial dysfunction. It has a role as an antioxidant, a protective agent and a metabolite. It is a trihydroxyflavanone and a member of 4-hydroxyflavanones. Butin is a natural product found in Dipteryx lacunifera, Acacia vestita, and other organisms with data available. A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 4 and 7. It is found in Acacia mearnsii, Vernonia anthelmintica and Dalbergia odorifera and has a protective affect against oxidative stress-induced mitochondrial dysfunction. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2]. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2].
Toralactone
Toralactone is an organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively. It has a role as a plant metabolite. It is an organic heterotricyclic compound, a lactone, a member of phenols, an aromatic ether, a polyketide and a naphtho-alpha-pyrone. It is functionally related to a nor-toralactone. Toralactone is a natural product found in Senna obtusifolia and Senna tora with data available. An organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively. Isolated from seeds of Cassia tora (charota). Toralactone is found in coffee and coffee products, herbs and spices, and pulses. Toralactone is found in coffee and coffee products. Toralactone is isolated from seeds of Cassia tora (charota). Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1]. Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1].
Rubrofusarin
A member of the class of benzochromenones that is benzo[g]chromen-4-one carrying two additional hydroxy substituents at positions 5 and 6 as well as methyl and methoxy substituents at positions 2 and 8 respectively. An orange polyketide pigment that is a common intermediate in many different fungal biosynthetic pathways. CONFIDENCE Culture of Fusarium graminearum from DAOM
Glycinol
Constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana). Glycinol is found in many foods, some of which are scarlet bean, soy bean, gram bean, and pulses. Glycinol is found in gram bean. Glycinol is a constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana).
(±)-2'-Hydroxydihydrodaidzein
(±)-2-hydroxydihydrodaidzein, also known as 2,4,7-trihydroxyisoflavanone, is a member of the class of compounds known as isoflavanones. Isoflavanones are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Thus, (±)-2-hydroxydihydrodaidzein is considered to be a flavonoid lipid molecule (±)-2-hydroxydihydrodaidzein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (±)-2-hydroxydihydrodaidzein can be found in green bean, pulses, and yellow wax bean, which makes (±)-2-hydroxydihydrodaidzein a potential biomarker for the consumption of these food products. (±)-2-Hydroxydihydrodaidzein is found in pulses. (±)-2-Hydroxydihydrodaidzein is isolated from pods of Phaseolus vulgaris (kidney bean) and also from Phaseolus coccineus (scarlet runner bean).
Dihydrogenistein
Dihydrogenistein is a metabolite of the soy isoflavone genistin (the glycoside conjugate of genistein) by intestinal bacteria. Isoflavones are one of the three major classes of phytoestrogens; phytoestrogens are a diverse group of plant-derived compounds that structurally and functionally mimic mammalian estrogen. The isoflavone genistin is one of the most prevalent in soy foods. They are biologically inactive; once ingested, they are cleaved by glucosidases to "aglycones", genistein. Epidemiological studies have associated high soy intake with a lowered risk for certain hormone-dependent disease. Many studies reveal that the incidence of prostate cancer and breast cancer is much lower in Asian people in comparison to people from the West and, and the prevailing contribution to this difference has been attributed to the diet. Soy foods and soy-derived products which contain abundant isoflavones are consumed in large quantities by Asian people. In vitro, isoflavone metabolites have dual functions: they can act as an estrogenic agonist or antagonist depending on the estrogen concentration. (PMID: 17499260, 16965913) [HMDB]. Dihydrogenistein is a biomarker for the consumption of soy beans and other soy products. Dihydrogenistein is a metabolite of the soy isoflavone genistin (the glycoside conjugate of genistein) by intestinal bacteria. Isoflavones are one of the three major classes of phytoestrogens; phytoestrogens are a diverse group of plant-derived compounds that structurally and functionally mimic mammalian estrogen. The isoflavone genistin is one of the most prevalent in soy foods. They are biologically inactive; once ingested, they are cleaved by glucosidases to "aglycones", genistein. Epidemiological studies have associated high soy intake with a lowered risk for certain hormone-dependent disease. Many studies reveal that the incidence of prostate cancer and breast cancer is much lower in Asian people in comparison to people from the West and, and the prevailing contribution to this difference has been attributed to the diet. Soy foods and soy-derived products which contain abundant isoflavones are consumed in large quantities by Asian people. In vitro, isoflavone metabolites have dual functions: they can act as an estrogenic agonist or antagonist depending on the estrogen concentration. (PMID: 17499260, 16965913). Dihydrogenistein is a biomarker for the consumption of soy beans and other soy products.
3-(Phenylsulfonyl)acrylophenone
A sulfone that is 1-phenyl-2-propenone with a phenylsulfonyl group at position 3.
2,7,4'-trihydroxyisoflavanone
2,7,4-trihydroxyisoflavanone is a member of the class of compounds known as isoflavanols. Isoflavanols are polycyclic compounds containing a hydroxylated isoflavan skeleton. 2,7,4-trihydroxyisoflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,7,4-trihydroxyisoflavanone can be found in a number of food items such as common mushroom, loganberry, sesbania flower, and allium (onion), which makes 2,7,4-trihydroxyisoflavanone a potential biomarker for the consumption of these food products.
(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1,6-dicarboxylate
Naringenin
Naringenin is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4. It is a trihydroxyflavanone and a member of 4-hydroxyflavanones. 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one is a natural product found in Prunus mume, Helichrysum cephaloideum, and other organisms with data available. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.
Dihydrobaicalein
Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1]. Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1].
Moracin J
Moracin J is found in fruits. Moracin J is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin J is found in fruits.
1-Hydroxy-3,7-dimethoxyxanthone
1-Hydroxy-3,7-dimethoxyxanthone is found in alcoholic beverages. 1-Hydroxy-3,7-dimethoxyxanthone is isolated from Gentiana lutea (yellow gentian
4',5,8-Trihydroxyflavanone
4,5,8-Trihydroxyflavanone is found in green vegetables. 4,5,8-Trihydroxyflavanone is a constituent of Spinacia oleracea (spinach) Constituent of Spinacia oleracea (spinach). 4,5,8-Trihydroxyflavanone is found in green vegetables and spinach.
Fukiic acid
Fukiic acid is found in green vegetables. Fukiic acid is a hydrolysis produced from Petasites japonicus (sweet coltsfoot
3,4,9-Trihydroxypterocarpan
3,4,9-Trihydroxypterocarpan is found in alfalfa. 3,4,9-Trihydroxypterocarpan is isolated from fungus-infected leaves of Melilotus alba (white melilot). Isolated from fungus-infected leaves of Melilotus alba (white melilot). 3,4,9-Trihydroxypterocarpan is found in alfalfa, herbs and spices, and pulses.
3'-Hydroxydihydrodaidzein
3-Hydroxydihydrodaidzein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-Hydroxydihydrodaidzein
6-Hydroxydihydrodaidzein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
8-Hydroxydihydrodaidzein
8-Hydroxydihydrodaidzein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5-Carboxy-2'-deoxyuridine
5-Carboxy-2-deoxyuridine is a metabolite of trifluridine. Trifluridine (also called trifluorothymidine or TFT) is an anti-herpesvirus antiviral drug, used primarily on the eye. It was sold under the trade name, Viroptic, by Glaxo Wellcome, now merged into GlaxoSmithKline. The brand is now owned by Monarch Pharmaceuticals, which is wholly owned by King Pharmaceuticals. (Wikipedia)
Pyridine N-oxide glucuronide
Pyridine N-oxide glucuronide is a metabolite of sorafenib. Sorafenib (co-developed and co-marketed by Bayer and Onyx Pharmaceuticals as Nexavar), is a drug approved for the treatment of primary kidney cancer and advanced primary liver cancer. (Wikipedia)
(+)-1-(9-Fluorenyl)ethyl chloroformate
(2R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
Isolated from Camellia sinensis (tea). Naringenin fructoside is found in tea.
Nimustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
Protosappanin A
(Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one
Dibenzo(b,f)thiepin-3-methanol, 5,5-dioxide
3,4',7-Trihydroxyflavanone
(2r,3r)-3,4,7-trihydroxyflavanone is a member of the class of compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively (2r,3r)-3,4,7-trihydroxyflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-3,4,7-trihydroxyflavanone can be found in chickpea, common bean, and lima bean, which makes (2r,3r)-3,4,7-trihydroxyflavanone a potential biomarker for the consumption of these food products.
8-Hydroxy-6-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4,9-dione
2-(1-hydroxyethyl)-6-methoxynaphtho[2,3-b]furan-4,9-dione
Butin
Butin, also known as (-)-butin or 7,3,4-trihydroxyflavanone, is a member of the class of compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. Thus, butin is considered to be a flavonoid lipid molecule. Butin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Butin can be found in mango, which makes butin a potential biomarker for the consumption of this food product. Butin may refer to: Butin is the mountain located in Pendro Butin (molecule), a flavanone Aleksandr Butin (born 1985), Russian professional football player Origny-le-Butin, a commune in the Orne department in northwestern France Butin, a village in Gătaia town, Timiş County, Romania . (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2]. (-)-Butin is the S enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1][2].
(±)-Naringenin
(±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1].
7,3,5-Trihydroxyflavanone
7,3,5-Trihydroxyflavanone is a natural product found in Glycyrrhiza inflata with data available.
Naringenin chalcone
Naringenin chalcone is an intermediate in flavonol biosynthesis and is spontaneously metabolized into naringenin (NAR) by chalcone isomerase. Naringenin chalcone has anti-inflammatory and antiallergic activities[1]. Naringenin chalcone is an intermediate in flavonol biosynthesis and is spontaneously metabolized into naringenin (NAR) by chalcone isomerase. Naringenin chalcone has anti-inflammatory and antiallergic activities[1].
Pinobanksin
Pinobanksin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. It has a role as an antimutagen, an antioxidant and a metabolite. It is a trihydroxyflavanone and a secondary alpha-hydroxy ketone. Pinobanksin is a natural product found in Populus koreana, Ozothamnus stirlingii, and other organisms with data available. A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. Pinobanksin has apoptotic induction in a B-cell lymphoma cell line[1].
Garbanzol
(2r,3r)-3,4,7-trihydroxyflavanone is a member of the class of compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively (2r,3r)-3,4,7-trihydroxyflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-3,4,7-trihydroxyflavanone can be found in chickpea, common bean, and lima bean, which makes (2r,3r)-3,4,7-trihydroxyflavanone a potential biomarker for the consumption of these food products.
2-Hydroxydihydrodaidzein
A hydroxyisoflavanone that is 2,3-dihydrodaidzein with an additonal hydroxy substituent at position 2.
Naringenin
Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.904 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.906 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.901 CONFIDENCE standard compound; ML_ID 50 (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.
1-(4-Chlorobenzyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one
[Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_50eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_40eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_30eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_20eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_neg_10eV_000030.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_50eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_40eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_30eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_20eV_CB000057.txt [Raw Data] CB152_3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one_pos_10eV_CB000057.txt
1-acetoxy-4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yn-2-ol|2-Hydroxy,1-Ac-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol
2-(1-Hydroxyethyl)-8-methoxynaphtho[2,3-b]furan-4,9-dione
Protosappanin A
Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1]. Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1].
5-hydroxy-2-hydroxyisopropylnaphtho<2,3-b>furan-4,9-quinone
1H-Naphtho(2,3-c)pyran-1-one, 3,4-dihydro-9,10-dihydroxy-7-methoxy-3-methylene-
1,6-dihydroxy-5,7-dimethoxy-9H-fluoren-9-one|dengibsinin
1,8-dihydroxy-3-methoxy-6-methylxanthone
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 8, a methoxy group at position 3 and a methyl group at position 6. It has been isolated from Microdiplodia species.
6-methoxy-12-hydroxy-3-methoxycarbonyl-beta-carboline|Methyl 8-hydroxy-4-methoxy-beta-carboline-1-carboxylate
(+)-matteucen A|(3S,4R)-3,4-dihydro-4,6,8-trihydroxy-3-phenyl-isochromen-1-one
2,5,7-trihydroxyflavanone dibenzoylmethane tautomer
8-hydroxy-2-hydroxyisopropylnaphtho<2,3-b>furan-4,9-quinone|avicequinone D
7-hydroxy-3-(hydroxymethyl)-1-methoxy-9h-xanthen-9-one
2-(prop-1-inyl)-5-(6-acetoxy-5-hydroxyhexa-1,3-diinyl)-thiophene
3-(beta-hydroxycinnamoyl)-4-hydroxy-6-methyl-2h-pyran-2-one
7-methanesulfonylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|alpha-<7-(1,3-Dimethylxanthinyl)>methylmethylsulfon
1-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-beta-D-ribo-1,5-dideoxy-hexofuranuronic acid|Uridin-7-carbonsaeure
nimustine hydrochloride
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
sappanol B
Protosappanin A is a member of catechols. It has a role as a metabolite. Protosappanin A is a natural product found in Alpinia japonica, Biancaea decapetala, and Biancaea sappan with data available. A natural product found in Caesalpinia sappan. Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1]. Protosappanin A (PTA), an immunosuppressive ingredient and major biphenyl compound isolated from Caesalpinia sappan L, suppresses JAK2/STAT3-dependent inflammation pathway through down-regulating the phosphorylation of JAK2 and STAT3[1].
2-Hydroxypinocembrin
2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one is a trihydroxyflavanone carrying the hydroxy groups at positions 2,5 and 7. It is a trihydroxyflavanone and a member of 2-hydroxyflavanones.
Thunberginol_C
Thunberginol C is a natural product found in Hydrangea macrophylla and Hydrangea serrata with data available.
(+)-Butin
(+)-Butin is the R enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1]. (+)-Butin is the R enantiomer of Butin. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities[1].
Djalonensone
Djalonensone is a benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins. It has a role as an antifungal agent, a fungal metabolite and a mycotoxin. It is a benzochromenone and an aromatic ether. It is functionally related to an alternariol. Alternariol monomethyl ether is a natural product found in Sonneratia alba, Talaromyces diversus, and other organisms with data available. Alternariol methyl ether is an altertoxin, which is a mycotoxin of Alternaria fungi. Altertoxins are important contaminants in cereals, vegetables, and fruits, as well as in the ground, on wood or walls. Studies have shown altertoxins to be toxic, genotoxic, mutagenic, and carcinogenic. In particular, they have been associated with esophageal cancer in humans. (A2977, A2979) A benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins.
3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one
1,6-dihydroxy-3-methoxy-8-methylxanthen-9-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one
6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
3,4,7-Trihydroxyflavanone
Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2]. Butin is a major biologically active flavonoid isolated from the heartwood of Dalbergia odorifera, with strong antioxidant, antiplatelet and anti-inflammatory activities. Butin significantly alleviates myocardial infarction and improves heart function, together with prevents diabetes-induced cardiac oxidative damage in rat[1][2].
3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one
7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one
7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one [IIN-based: Match]
7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one [IIN-based on: CCMSLIB00000846503]
3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one_major
Naringenin_pos
(±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1].
Dihydrobaicalein
Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1]. Dihydrobaicalein is a PLK1 Inhibitor with an IC50 of 6.3 μM. Dihydrobaicalein also inhibits VRK2 and PLK2. Dihydrobaicalein is a natural product that can be isolated from Scutellaria scandens[1].
Asahina
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. (±)-Naringenin is a naturally-occurring flavonoid. (±)-Naringenin displays vasorelaxant effect on endothelium-denuded vessels via the activation of BKCa channels in myocytes[1]. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity. Naringenin is the predominant flavanone in Citrus reticulata Blanco; displays strong anti-inflammatory and antioxidant activities. Naringenin has anti-dengue virus (DENV) activity.
Zolimidine
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
2,6-diamino-4-(2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile
(5-((TERT-BUTOXYCARBONYL)AMINO)-2-CHLOROPYRIDIN-4-YL)BORONIC ACID
2-(2,5-Dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde
1-BENZYL-3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
ETHYL 4-HYDROXY-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
[1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol 97
3-(BENZO[D][1,3]DIOXOL-5-YL)-5-METHOXYBENZOIC ACID
4,8-Ethenopyrrolo[3,4:3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-, (3aR,3bS,4R,4aR,7aS,8S,8aR,8bS)-rel-
5-carboxy-2-deoxyuridine
A nucleoside analogue that is 2-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group.
N-METHYL-N-([2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL]METHYL)AMINE
6-METHYL-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
2-(TERT-BUTOXYCARBONYLAMINO)-5-CHLOROPYRIDIN-4-YLBORONIC ACID
4-[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL-]BUTANOIC ACID
4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid
2-(3,4-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6-Methoxy-3a-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one
4- Methyl-1-(phenylsulfonyl)-1 H-pyrrolo[2,3-b]pyridine
2,6-diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile
6,6′-dimethyl-2,2′-bipyridine-4,4′-dicarboxylic acid
3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole
5-methyl-1-(phenylsulfonyl)-1H-Pyrrolo[2,3-b]pyridine
2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Nalidixate sodium
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors
5-tert-butoxycarbonylamino-2-chloro-nicotinic acid
Ethyl 4-hydroxy-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-1,8-naphthyridine-3-carboxylate
2-(4-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE
Ethyl 6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone
Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate
2-chloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[3-(2-methoxyphenyl)-2-propenylidene]-
1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
2-BENZYLSULFANYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL
(6E)-6-[(3-methoxyphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
6-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
(E)-1-(2,4-Dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)prop-2-en-1-one
N-ISOBUTYL-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]-AMINE
3-[2-(methylcarbamoyl)pyridin-4-yl]oxybenzoic acid
5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid
2-METHYL-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-D]pyrimidin-2-YL)-benzoic acid
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
(2R,3S)-2,4,7-trihydroxyisoflavanone
A hydroxyisoflavanones that is isoflavanone bearing hydroxy groups at the 2, 7 and 4 positions, with R and S configurations at C-2 and C-3 respectively.
6-Hydroxy-2-[hydroxy-(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
(Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one
2-Hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid
A monohydroxybenzoic acid that is 2-hydroxybenzoic acid substituted by a 2-(4-hydroxyphenyl)-2-oxoethyl group at position 6. It has been isolated from the roots of Scorzonera judaica.
Hydramacrophyllol A
An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (S)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica.
2-[2-(3-Methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzoic acid
N-(2,3-dihydroxybenzylidene)-2-hydroxybenzohydrazide
3-(2,6-Dihydroxyphenyl)-4-hydroxy-6-methylisobenzofuran-1(3H)-one
Toralactone
Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1]. Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1].
1-Phenyl-3-(2,4,6-trihydroxyphenyl)propane-1,3-dione
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate
3,8,9,10-Tetrahydroxy-6-methyl-1,4-dihydroanthracen-1-one
(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
Hydramacrophyllol B
An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (R)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica.
3-(2-Furanylmethyl)-5-(2-methoxyethyl)-1,3,5-thiadiazinane-2-thione
4b,9b-dihydroxy-7,8-dihydro-6H-indeno[1,2-b]benzofuran-9,10-dione
1,5-Dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl ester
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
4-[(5-Oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester
2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
1-[2-[(4-Chloro-1-naphthalenyl)oxy]ethyl]imidazole
3-Methoxycarbonylmethyl-1-(tetrahydrofuran-2-yl)-5-fluorouracil
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;chloride
(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid
A member of the class of phenazines that is 1,4,10,10a-tetrahydrophenazine substituted at positions 1 and 6 by carboxy groups (the 1R,10aS-diastereomer).
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.
Dihydrogenistein
A hydroxyisoflavanone comprising isoflavanone carrying three hydroxy substituents at positions 5, 7 and 4.
2,4,7-trihydroxyisoflavanone
A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 2, 7 and 4.
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
1,6-dimethoxyphenazine N(5),N(10)-dioxide
An N-oxide that is 1,6-dimethoxyphenazine carrying oxido groups at positions 5 and 10; Major microspecies at pH 7.3.
4-coumaroyltriacetic acid lactone
A polyketide that is 4-hydroxypyran-2-one carrying an additional 4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl group at position 6; produced due to derailment from the canonical 2,4,4,6-tetrahydroxychalcone-producing reaction pathway.
3,6,9-Trihydroxypterocarpan
A member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9.
adefovir(1-)
A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-(2,6-dihydroxyphenyl)-7-hydroxy-5-methyl-3h-2-benzofuran-1-one
5,11-dihydroxy-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid
4,6,8-trihydroxy-3-phenyl-3,4-dihydro-2-benzopyran-1-one
2-[(1r)-1-hydroxyethyl]-8-methoxynaphtho[2,3-b]furan-4,9-dione
5,8-dihydroxy-6-methoxy-2-methylbenzo[g]chromen-4-one
2-hydroxy-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-yl acetate
3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3a,7a-dihydro-2-benzofuran-1-one
2-[(1r)-1-hydroxyethyl]-6-methoxynaphtho[2,3-b]furan-4,9-dione
(2s)-2-[(4s)-4-[(1-hydroxyethylidene)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
1,3-dihydroxy-8-(hydroxymethyl)-6-methylxanthen-9-one
1-hydroxy-7-(hydroxymethyl)-6-methoxyxanthen-9-one
(2s)-5,7-dihydroxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione
1,6-dihydroxy-3-methoxy-8-methylxanthone
{"Ingredient_id": "HBIN001870","Ingredient_name": "1,6-dihydroxy-3-methoxy-8-methylxanthone","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5991","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-hydroxy-2,4-dimethoxyxanthone
{"Ingredient_id": "HBIN002618","Ingredient_name": "1-hydroxy-2,4-dimethoxyxanthone","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10043","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2, 4, 2′, 4′-tetrahydroxychalcone
{"Ingredient_id": "HBIN004190","Ingredient_name": "2, 4, 2\u2032, 4\u2032-tetrahydroxychalcone","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "C1=CC(=C(C=C1O)O)C=CC(=O)C2=C(C=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41084","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2',4',3,4,-tetrahydroxy-chalcone
{"Ingredient_id": "HBIN004205","Ingredient_name": "2',4',3,4,-tetrahydroxy-chalcone","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42002","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S)-dihydrobaicalein
{"Ingredient_id": "HBIN006798","Ingredient_name": "(2S)-dihydrobaicalein","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=CC=C3","Ingredient_weight": "272.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35695","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14135323","DrugBank_id": "NA"}
3,4,2',3 '-tetrahydroxychalcone
{"Ingredient_id": "HBIN007211","Ingredient_name": "3,4,2',3 '-tetrahydroxychalcone","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "C1=CC(=C(C(=C1)O)O)C(=O)C=CC2=CC(=C(C=C2)O)O","Ingredient_weight": "272.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41749","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "19107134","DrugBank_id": "NA"}
3,4-dihydro-4-(4'-hydroxyphenyl)-5,7-dihydroxycoumarin
{"Ingredient_id": "HBIN007352","Ingredient_name": "3,4-dihydro-4-(4'-hydroxyphenyl)-5,7-dihydroxycoumarin","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41936","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-acetoxy-8,9-epoxy-7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-2-ene
{"Ingredient_id": "HBIN010162","Ingredient_name": "4-acetoxy-8,9-epoxy-7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-2-ene","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "CC#CC#CC=C1C2C(O2)C3(O1)C(C=CO3)OC(=O)C","Ingredient_weight": "272.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7867","PubChem_id": "101586700","DrugBank_id": "NA"}
4-hydroxyhydrangenol
{"Ingredient_id": "HBIN010542","Ingredient_name": "4-hydroxyhydrangenol","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15847","TCMID_id": "10170","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-methoxy-6-(11,12-methylenedioxystyryl)-2-pyrone
{"Ingredient_id": "HBIN010619","Ingredient_name": "4-methoxy-6-(11,12-methylenedioxystyryl)-2-pyrone","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "COC1=CC(=O)OC(=C1)C=CC2=CC3=C(C=C2)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14014","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-1,7-dimethoxyxanthone
{"Ingredient_id": "HBIN012381","Ingredient_name": "6-hydroxy-1,7-dimethoxyxanthone","Alias": "NA","Ingredient_formula": "C15H12O5","Ingredient_Smile": "NA","Ingredient_weight": "272.25","OB_score": "NA","CAS_id": "145523-70-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7557","PubChem_id": "NA","DrugBank_id": "NA"}
