Exact Mass: 256.0459598
Exact Mass Matches: 256.0459598
Found 500 metabolites which its exact mass value is equals to given mass value 256.0459598,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isoliquiritigenin
Isoliquiritigenin is a member of the class of chalcones that is trans-chalcone hydroxylated at C-2, -4 and -4. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor, a biological pigment, a NMDA receptor antagonist, a GABA modulator, a metabolite, an antineoplastic agent and a geroprotector. It is functionally related to a trans-chalcone. It is a conjugate acid of an isoliquiritigenin(1-). Isoliquiritigenin is a precursor to several flavonones in many plants. Isoliquiritigenin is a natural product found in Pterocarpus indicus, Dracaena draco, and other organisms with data available. See also: Glycyrrhiza Glabra (part of); Glycyrrhiza uralensis Root (part of); Pterocarpus marsupium wood (part of). Isolated from Medicago subspecies Isoliquiritigenin is found in many foods, some of which are cocoa bean, purple mangosteen, blackcurrant, and chives. A member of the class of chalcones that is trans-chalcone hydroxylated at C-2, -4 and -4. Isoliquiritigenin is found in pulses. Isoliquiritigenin is isolated from Medicago specie D004791 - Enzyme Inhibitors Isoliquiritigenin is an anti-tumor flavonoid from the root of Glycyrrhiza uralensis Fisch., which inhibits aldose reductase with an IC50 of 320 nM. Isoliquiritigenin is a potent inhibitor of influenza virus replication with an EC50 of 24.7 μM. Isoliquiritigenin is an anti-tumor flavonoid from the root of Glycyrrhiza uralensis Fisch., which inhibits aldose reductase with an IC50 of 320 nM. Isoliquiritigenin is a potent inhibitor of influenza virus replication with an EC50 of 24.7 μM.
Pinocembrin
Pinocembrin is a dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. It has a role as an antioxidant, an antineoplastic agent, a vasodilator agent, a neuroprotective agent and a metabolite. It is a dihydroxyflavanone and a (2S)-flavan-4-one. Pinocembrin is a natural product found in Prunus leveilleana, Alpinia rafflesiana, and other organisms with data available. Pinocembrin is found in mexican oregano and is isolated from many plants including food plants. Pinocembrin belongs to the family of flavanones. These are compounds containing a flavan-3-one moiety, which structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. Isolated from many plants including food plants. (S)-Pinocembrin is found in mexican oregano and pine nut. (±)-Pinocembrin ((±)-5,7-Dihydroxyflavanone) is a GPR120 ligand able to promote wound healing in HaCaT cell line[1]. (±)-Pinocembrin ((±)-5,7-Dihydroxyflavanone) is a GPR120 ligand able to promote wound healing in HaCaT cell line[1]. Pinocembrin ((+)-Pinocoembrin) is a flavonoid found in propolis, acts as a competitive inhibitor of histidine decarboxylase, and is an effective anti-allergic agent, with antioxidant, antimicrobial and anti-inflammatory properties[1]. Pinocembrin ((+)-Pinocoembrin) is a flavonoid found in propolis, acts as a competitive inhibitor of histidine decarboxylase, and is an effective anti-allergic agent, with antioxidant, antimicrobial and anti-inflammatory properties[1].
Liquiritigenin
Liquiritigenin is a dihydroxyflavanone compound having the two hydroxy substituents at the 4- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta. It has a role as a hormone agonist and a plant metabolite. 5-deoxyflavanone is a solid. This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. MF101 is a novel estrogen receptor beta (ERβ) selective agonist and unlike currently available hormone therapies, does not activate the estrogen receptor alpha (ERα), known to be implicated in tumor formation. MF101 is an oral drug designed for the treatment of hot flashes and night sweats in peri-menopausal and menopausal women. Liquiritigenin is a natural product found in Dracaena draco, Pterocarpus marsupium, and other organisms with data available. See also: Glycyrrhiza Glabra (part of); Glycyrrhiza uralensis Root (part of); Pterocarpus marsupium wood (part of). Isolated from Glycyrrhiza, Medicago, Myroxylon, Cicer and all Leguminosae subspecies Several glycosides, particularly the rutinoside and neohesperidoside, are important in influencing citrus fruit flavour [DFC]. Liquiritigenin is found in many foods, some of which are sorrel, roselle, pepper (c. annuum), and black crowberry. Liquiritigenin is found in alfalfa. Liquiritigenin is isolated from Glycyrrhiza, Medicago, Myroxylon, Cicer, and all Leguminosae species. Several glycosides, particularly rutinoside and neohesperidoside, are important in influencing citrus fruit flavour. A dihydroxyflavanone compound having the two hydroxy substituents at the 4- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta. Liquiritigenin, a flavanone isolated from Glycyrrhiza uralensis, is a highly selective estrogen receptor β (ERβ) agonist with an EC50 of 36.5 nM for activation of the ERE tk-Luc. Liquiritigenin, a flavanone isolated from Glycyrrhiza uralensis, is a highly selective estrogen receptor β (ERβ) agonist with an EC50 of 36.5 nM for activation of the ERE tk-Luc.
Dihydrodaidzein
Dihydrodaidzein is one of the most prominent dietary phytoestrogens. Dietary phytoestrogens have been implicated in the prevention of chronic diseases (PMID:12270199). Dihydrodaidzein is a biomarker for the consumption of soy beans and other soy products. Dihydrodaidzein is a hydroxyisoflavanone that is isoflavanone carrying two hydroxy substituents located at positions 4 and 7. It has a role as a metabolite. A hydroxyisoflavanone that is isoflavanone carrying two hydroxy substituents located at positions 4 and 7. Dihydrodaidzein is one of the most prominent dietary phytoestrogens. S-Dihydrodaidzein is the (S)-enantiomer of dihydrodaidzein which is one of the most prominent dietary phytoestrogens[1][2].
Purpurin
CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4870; ORIGINAL_PRECURSOR_SCAN_NO 4868 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4852; ORIGINAL_PRECURSOR_SCAN_NO 4850 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4850; ORIGINAL_PRECURSOR_SCAN_NO 4849 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4850; ORIGINAL_PRECURSOR_SCAN_NO 4848 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4861; ORIGINAL_PRECURSOR_SCAN_NO 4860 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4843; ORIGINAL_PRECURSOR_SCAN_NO 4841 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8372 D004396 - Coloring Agents Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1]. Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1].
Hydrangenol
Hydrangenol is a member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity. It has a role as an anti-allergic agent and a plant metabolite. It is a member of phenols and a member of dihydroisocoumarins. It is functionally related to a 3,4-dihydroisocoumarin. Hydrangenol is a natural product found in Hydrangea febrifuga, Hydrangea macrophylla, and Hydrangea serrata with data available. A member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity.
Anthragallol
A trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 2 and 3.
Norbaeocystin
A tryptamine alkaloid that is tryptamine carrying an additional phosphoryloxy substituent at position 4.
Paraquat dichloride
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl dihydrogen phosphate
[(3S,4S,5S,6R)-3,4,5,6-tetrahydroxycyclohexen-1-yl]methyl dihydrogen phosphate
3-(2-methylprop-2-enylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
1,2,4-Trihydroxyanthraquinone
Purpurin is a trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. It has a role as a biological pigment, a histological dye and a plant metabolite. Purpurin is a natural product found in Rubia argyi, Cinchona calisaya, and other organisms with data available. See also: Rubia tinctorum root (part of). A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. D004396 - Coloring Agents Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1]. Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1].
Liquiritigenin
4,7-dihydroxyflavanone is a dihydroxyflavanone in which the two hydroxy substituents are located at positions 4 and 7. It has a role as a Brassica napus metabolite and a fungal xenobiotic metabolite. It is a dihydroxyflavanone, a polyphenol and a member of 4-hydroxyflavanones. It is functionally related to a flavanone. 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)- is a natural product found in Pterocarpus marsupium, Pterocarpus macrocarpus, and other organisms with data available. A dihydroxyflavanone in which the two hydroxy substituents are located at positions 4 and 7. (±)-Liquiritigenin ((±)-4',7-Dihydroxyflavanone) is isolated from Angelica keiskei, a hardy perennial herb of the Umbelliferae family. (±)-Liquiritigenin promotes cell proliferation, has cytoprotective activity and reduces cytotoxicity, and also has antioxidant stress effects[1]. (±)-Liquiritigenin ((±)-4',7-Dihydroxyflavanone) is isolated from Angelica keiskei, a hardy perennial herb of the Umbelliferae family. (±)-Liquiritigenin promotes cell proliferation, has cytoprotective activity and reduces cytotoxicity, and also has antioxidant stress effects[1].
Emodinanthranol
Emodin anthrone is a member of the class of anthracenones that is anthracen-9(10H)-one which carries a methyl group at position 6 and hydroxy groups at positions 1, 3 and 8, respectively. It is an intermediate precursor in the synthesis of hypericin. It has a role as a fungal metabolite. It is an anthracenone and a member of phenols. Emodin anthrone is a natural product found in Rhamnus prinoides, Paeonia emodi, and Rumex acetosa with data available. A member of the class of anthracenones that is anthracen-9(10H)-one which carries a methyl group at position 6 and hydroxy groups at positions 1, 3 and 8, respectively. It is an intermediate precursor in the synthesis of hypericin. Isolated from Hypericum perforatum (St. Johns wort). Emodinanthrone is found in many foods, some of which are alcoholic beverages, tea, herbs and spices, and garden rhubarb. Emodinanthranol is found in alcoholic beverages. Emodinanthranol is isolated from Hypericum perforatum (St. Johns wort).
Mono-benzyl phthalate
Mono-benzyl phthalate, also known as benzene-1,2-dicarboxylic acid, monobenzyl ester or benzyl hydrogen phthalate, is a metabolite of butyl benzyl phthalate (BBzP). It can be found in human biofluids. Phthalates are industrial chemicals that are added to plastics to impart flexibility and resilience and are often referred to as plasticizers. Phthalates also are used as solubilizing or stabilizing agents in other applications. There are numerous products that may contain phthalates: adhesives; automotive plastics; detergents; lubricating oils; some medical devices and pharmaceuticals; plastic raincoats; solvents; vinyl tiles and flooring; and personal-care products, such as soap, shampoo, deodorants, lotions, fragrances, hair spray, and nail polish. Phthalates are often used in polyvinyl chloride type plastics, such as plastic packaging film and sheet, garden hoses, inflatable recreational toys, blood product storage bags, intravenous medical tubing, and toys. Because they are not chemically bound to the plastics to which they are added, phthalates can be released into the environment during use or disposal of the product. People are exposed to phthalates through ingestion, inhalation, and, to a lesser extent, dermal contact with products that contain phthalates. Phthalates have low acute animal toxicity. In animals, phthalates produced anti-androgenic effects by reducing testosterone production and, at very high levels, reducing estrogen production, effects that may be mediated by inhibiting testicular and ovarian steroidogenesis. (ChemoSummarizer)
(2R,3S)-Piscidic acid
(2R,3S)-Piscidic acid is found in fruits. (2R,3S)-Piscidic acid is isolated from the famine food Agave americana and from Opuntia ficus-indica (Indian fig
7E-Mycosinyl acetate
7E-Mycosinyl acetate is found in herbs and spices. 7E-Mycosinyl acetate is from Chrysanthemum coronarium (chop-suey greens).
(E)-2,4,4'-Trihydroxychalcone
(E)-2,4,4-Trihydroxychalcone is found in herbs and spices. (E)-2,4,4-Trihydroxychalcone is a constituent of Glycyrrhiza glabra (licorice) roots
4'-Methoxybenzophenone-2-carboxylic acid
4-Methoxybenzophenone-2-carboxylic acid is used in Germany during the 1950s as an artificial sweetener. Sweetness 150 x sucros
2-Dehydro-O-desmethylangolensin
2-Dehydro-O-desmethylangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-
C11H9ClO5 (256.01384939999997)
D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenyl ester
Chlormidazole
C15H13ClN2 (256.07672080000003)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives C254 - Anti-Infective Agent > C514 - Antifungal Agent
Liquiritin rhamnoside
Isolated from Glycyrrhiza glabra (licorice). Liquiritin rhamnoside is found in tea and herbs and spices.
5-Hydroxytryptophol sulfate
C10H10NO5S- (256.02796700000005)
1,4-Epoxy-4-methyl-1,2,4,5-tetrahydronaphtho[2,3-d]oxepin-6,11-dione
4-Cyclopentene-1,3-dione, 2-(alpha-hydroxycinnamylidene)-4-methoxy- (8CI); (2Z)-2-[(2E)-1-Hydroxy-3-phenyl-2-propenylidene]-4-methoxy-4-cyclopentene-1,3-dione
Demethylmedicarpin
(6ar,11ar)-3,9-dihydroxypterocarpan is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, (6ar,11ar)-3,9-dihydroxypterocarpan is considered to be a flavonoid lipid molecule (6ar,11ar)-3,9-dihydroxypterocarpan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (6ar,11ar)-3,9-dihydroxypterocarpan can be found in a number of food items such as bayberry, sweet bay, agave, and red bell pepper, which makes (6ar,11ar)-3,9-dihydroxypterocarpan a potential biomarker for the consumption of these food products.
DihydroDaidzein
Dihydrodaidzein, also known as 7,4-dihydroxyisoflavanone, 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, dihydrodaidzein is considered to be a flavonoid lipid molecule. Dihydrodaidzein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrodaidzein can be found primarily in blood and urine. Within the cell, dihydrodaidzein is primarily located in the membrane (predicted from logP). Moreover, dihydrodaidzein is found to be associated with ileostomy. Dihydrodaidzein is one of the most prominent dietary phytoestrogens.
Liquiritigenin
Origin: Plant; Formula(Parent): C15H12O4; Bottle Name:Liquiritigenin; PRIME Parent Name:4,7-Dihydroxyflavanone; PRIME in-house No.:T0084, Pyrans Bottle Name:Liquiritigenin; Origin: Plant; Formula(Parent): C15H12O4; PRIME Parent Name:4,7-Dihydroxyflavanone; PRIME in-house No.:T0084, Pyrans Liquiritigenin, a flavanone isolated from Glycyrrhiza uralensis, is a highly selective estrogen receptor β (ERβ) agonist with an EC50 of 36.5 nM for activation of the ERE tk-Luc. Liquiritigenin, a flavanone isolated from Glycyrrhiza uralensis, is a highly selective estrogen receptor β (ERβ) agonist with an EC50 of 36.5 nM for activation of the ERE tk-Luc.
Lucidone
Lucidone is an olefinic compound. It is functionally related to a cinnamic acid. Lucidone is a natural product found in Lindera erythrocarpa with data available.
Ethofumesate-2-keto
A methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 3,3-dimethyl-2-oxo-2,3-dihydro-1-benzofuran-5-yl group. It is a metabolite of the herbicide ethofumesate. CONFIDENCE standard compound; EAWAG_UCHEM_ID 118 EAWAG_UCHEM_ID 118; CONFIDENCE standard compound
2-(5-Chloro-2-methylanilino)-2-phenylacetonitrile
C15H13ClN2 (256.07672080000003)
3-{[(Cyanoimino)(methylthio)methyl]imino}-1,2-dimethyl-5-(methylthio)-2,3-dihydro-1H-1,2,4-triazole
1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
3-(5-phenylthiophen-2-yl)prop-2-ynyl Acetate
C15H12O2S (256.05579720000003)
Gnetifolin M
2-(3-Hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol is a natural product found in Gnetum montanum with data available.
8-Hydroxy-2-isopropenylnaphtho[2,3-b]furan-4,9(2H,3H)-dione
2-Hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]benzoic acid
globosuxanthone D
A member of the class of xanthones that is 9H-xanthene substituted by a hydroxy group at position 8, an oxo group at position 9 and a carboxy group at position 1. It has been isolated from Chaetomium globosum.
4-Methylumbelliferyl phosphate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2-(Pentadiin-(1.3)-yl)-5-(4-acetoxy-butin-(1)-yl)-thiophen|2--5-<4-acetoxy-butin-(1)-yl>-thiophen
C15H12O2S (256.05579720000003)
(4-methoxybenzo[d][1,3]dioxol-5-yl)(phenyl)methanone
2-(1-Acetoxypentadiin-(2.4)-yl)-benzoesaeuremethylester|2-<1-Acetoxypentadiin-(2.4)-yl>-benzoesaeuremethylester
7-methanesulfinylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|alpha-<7-(1,3-Dimethylxanthinyl)>methylmethylsulfoxid
1-Hydroxy-2,3-methylendioxy-xanthon|1-Hydroxy-2,3-methylendioxyxanthon|1-hydroxy-2,3-methylenedioxyxanthone
7,8-DIHYDROXYFLAVANONE
A dihydroxyflavanone with hydroxy substituents at positions 7 and 8. Isolated from the seeds of Alpinia katsumadai, it acts as a an inhibitor for Jun-Fos-DNA complex formation and exhibits antineoplastic activity.
5-methoxy-7-hydroxy-9,10-dihydro-1,4-phenanthrenequinone
2-(3-hydroxy-5-methoxyphenyl)benzofuran-6-ol|6-Hydroxy-2-(3-hydroxy-5-methoxyphenyl)benzofuran|6-Hydroxy-2-(3-hydroxy-5-methoxyphenyl)benzo[b]furan|moracin B
2--5-<5-acetoxy-penten-(3)-in-(1)-yl>-thiophen|5-acetoxy-1-(5-but-3-en-1-ynyl-thiophen-2-yl)-pent-3-en-1-yne
C15H12O2S (256.05579720000003)
(4-hydroxybenzyl)-7-hydroxyphthalide|scorzoveratrin
(E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)-2-propen-1-one|(E)-3,2,4-trihydroxychalcone|3.2.4-trihydroxy-trans(?)-chalcone|3.2.4-Trihydroxy-trans(?)-chalkon
6-Methyl-anthracen-1,3,8,9-tetraol|6-methyl-anthracene-1,3,8,9-tetraol|emodin anthrone
afrostyraxthioside A|methylthiomethyl 1-thio-beta-D-glucopyranoside
BAUHINOXEPIN J
A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine-1,4-dione substituted by a methoxy group at position 2. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal and cytotoxic activities.
2-(1-Methyl-1-hydroxyethyl)naphtho[1,2-b]furan-4,5-dione
3,4-Dihydro-8-hydroxy-3(p-hydroxyphenyl)isocumarin
8-Methyl-9-hydroxy-10-(hydroxymethyl)-3H-naphtho[2,1-b]pyran-3-one
5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1h-2-benzopyran-1-one-7-carboxylic acid
C11H9ClO5 (256.01384939999997)
D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-8-hydroxy-
Dihydrodaidzein
Dihydrodaidzein is one of the most prominent dietary phytoestrogens. Dietary phytoestrogens have been implicated in the prevention of chronic diseases (PMID:12270199). Dihydrodaidzein is a biomarker for the consumption of soy beans and other soy products. Dihydrodaidzein is one of the most prominent dietary phytoestrogens.
2,2-dimethyl-2,3-dihydro-benzo[g]chromene-4,5,10-trione|4-keto-alpha-lapachone|4-Oxo-alpha-Lapachone|4-Oxo-alpha-lapadion
2-isopropenyl-9-methoxy-furo[3,2-g]chromen-7-one|Arnottiacoumarin|Arnottiacumarin
pinocembrine
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)- is a natural product found in Alpinia nutans, Alpinia zerumbet, and Boesenbergia rotunda with data available.
Pinocembrin
(2s)-pinocembrin, also known as 5,7-dihydroxyflavanone or dihydrochrysin, 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, (2s)-pinocembrin is considered to be a flavonoid lipid molecule (2s)-pinocembrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2s)-pinocembrin can be found in a number of food items such as acorn, lentils, mulberry, and sorghum, which makes (2s)-pinocembrin a potential biomarker for the consumption of these food products. (s)-pinocembrin, also known as 5,7-dihydroxyflavanone or dihydrochrysin, 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 (s)-pinocembrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-pinocembrin is a bitter tasting compound found in mexican oregano and tarragon, which makes (s)-pinocembrin a potential biomarker for the consumption of these food products. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.069 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.067 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.071 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.070 5,7-Dihydroxyflavanone is a natural product found in Pinus contorta var. latifolia, Piper nigrum, and other organisms with data available. (±)-Pinocembrin ((±)-5,7-Dihydroxyflavanone) is a GPR120 ligand able to promote wound healing in HaCaT cell line[1]. (±)-Pinocembrin ((±)-5,7-Dihydroxyflavanone) is a GPR120 ligand able to promote wound healing in HaCaT cell line[1]. Pinocembrin ((+)-Pinocoembrin) is a flavonoid found in propolis, acts as a competitive inhibitor of histidine decarboxylase, and is an effective anti-allergic agent, with antioxidant, antimicrobial and anti-inflammatory properties[1]. Pinocembrin ((+)-Pinocoembrin) is a flavonoid found in propolis, acts as a competitive inhibitor of histidine decarboxylase, and is an effective anti-allergic agent, with antioxidant, antimicrobial and anti-inflammatory properties[1].
S-Dihydrodaidzein
s-Dihydrodaidzein is a natural product found in Pericopsis mooniana and Glycyrrhiza uralensis with data available. S-Dihydrodaidzein is the (S)-enantiomer of dihydrodaidzein which is one of the most prominent dietary phytoestrogens[1][2].
Pinocembrinchalcone
Pinocembrin chalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2, 4 and 6 respectively. It has a role as a plant metabolite and an antifungal agent. It is functionally related to a trans-chalcone. Pinocembrin chalcone is a natural product found in Populus koreana, Populus laurifolia, and other organisms with data available. A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2, 4 and 6 respectively.
Monobenzyl phthalate
A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of benzyl alcohol. It is a major metabolite of the plasticiser butyl benzyl phthalate (BBP). CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4406; ORIGINAL_PRECURSOR_SCAN_NO 4401 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4408; ORIGINAL_PRECURSOR_SCAN_NO 4407 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4373; ORIGINAL_PRECURSOR_SCAN_NO 4371 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4400; ORIGINAL_PRECURSOR_SCAN_NO 4398 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4390; ORIGINAL_PRECURSOR_SCAN_NO 4386 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4386; ORIGINAL_PRECURSOR_SCAN_NO 4385 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8673; ORIGINAL_PRECURSOR_SCAN_NO 8669 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8702; ORIGINAL_PRECURSOR_SCAN_NO 8699 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8754; ORIGINAL_PRECURSOR_SCAN_NO 8751 CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8770; ORIGINAL_PRECURSOR_SCAN_NO 8765 CONFIDENCE standard compound; INTERNAL_ID 8231 CONFIDENCE standard compound; INTERNAL_ID 4204
2,6-Dihydroxyflavanone
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.922
Isoliquiritigenin
Isoliquiritigenin is an anti-tumor flavonoid from the root of Glycyrrhiza uralensis Fisch., which inhibits aldose reductase with an IC50 of 320 nM. Isoliquiritigenin is a potent inhibitor of influenza virus replication with an EC50 of 24.7 μM. Isoliquiritigenin is an anti-tumor flavonoid from the root of Glycyrrhiza uralensis Fisch., which inhibits aldose reductase with an IC50 of 320 nM. Isoliquiritigenin is a potent inhibitor of influenza virus replication with an EC50 of 24.7 μM.
5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Purpurin
D004396 - Coloring Agents Origin: Plant, Organic chemicals, Polycyclic compounds, Anthracenes Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1]. Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1].
3-(5-phenylthiophen-2-yl)prop-2-ynyl Acetate_38.6\\%
C15H12O2S (256.05579720000003)
4-METHYL-(PHENYLSULFONYL) PROPANOIC ACID ETHYL ESTER
METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER
4-(METHOXYCARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-(METHOXYCARBONYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
5-(4-TRIFLUOROMETHYL-PHENYL)-CYCLOHEXANE-1,3-DIONE
C13H11F3O2 (256.07111019999996)
ethyl 3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate
1-BENZYL-2-(CHLOROMETHYL)-1H-BENZO[D]IMIDAZOLE
C15H13ClN2 (256.07672080000003)
4-(CARBOXYMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
4-(CARBOXYMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
C15H13ClN2 (256.07672080000003)
METHYL 3-FORMYL-2-HYDROXY-[1,1-BIPHENYL]-3-CARBOXYLATE
TERT-BUTYL (2-CHLORO-3-FORMYLPYRIDIN-4-YL)CARBAMATE
5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE
C12H7F3O3 (256.03472680000004)
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1h-pyrazole
ethyl 8-(chloromethyl)benzo-1,3-dioxan-6-carboxylate
9-(4-nitrophenyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine
C11H8N6O2 (256.07087079999997)
2,2-Difluoro-2-(2-(trifluoromethoxy)phenyl)acetic acid
(2-(4-METHOXYPHENYL)THIAZOL-4-YL)METHANAMINE HYDROCHLORIDE
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
2-[(2,4-diaminophenyl)thio]ethanol dihydrochloride
1-(2-chloro-6-fluorophenyl)cyclohexanecarboxylic acid
ethyl 2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate
4-AZIDO-2,3,5,6-TETRAFLUOROBENZYL AMINE HYDROCHLORIDE
5-(4-(TRIFLUOROMETHYL)PHENYL)FURAN-2-CARBOXYLIC ACID
C12H7F3O3 (256.03472680000004)
Dimethyl [6-(methylsulfanyl)-4-pyrimidinyl]malonate
4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOIC ACID
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
4-(5-chlorothiazolo[4,5-d]pyrimidin-7-yl)morpholine
2-[(2,4-Dimethylphenyl)sulfonyl]acetic acid ethyl ester
2’-O,4’-C-Methyleneuridine
2’-O,4’-C-Methyleneuridine (Compound 15a) is a bicyclic nucleoside.
Clorindione
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
N-(5-BROMO-PYRIDIN-3-YL)-2,2-DIMETHYL-PROPIONAMIDE
5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC
C12H7F3O3 (256.03472680000004)
6-(4-NITROPHENYL)-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE
3-(2-CHLORO-3,4-DIMETHOXYPHENYL)PROP-2-ENOHYDRAZIDE
N-(5-bromo-pyridin-2-yl)-2,2-dimethyl-propionamide
(3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
1-(2-PYRIDIN-3-YLPHENYL)METHANAMINE DIHYDROCHLORIDE
3-(METHOXYCARBONYL)[1,1-BIPHENYL]-4-CARBOXYLIC ACID
tert-Butyl (6-chloro-2-formylpyridin-3-yl)carbamate
4-amino-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
7-chloro-2-(3,4-diMethylphenyl)iMidazo[1,2-a]pyridine
C15H13ClN2 (256.07672080000003)
3-(3-Chloro-6-ethoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
3-(4-TRIFLUOROMETHYLBENZOYL)THIOPHENE
C12H7F3OS (256.01696880000003)
5-(2-TRIFLUOROMETHYL-PHENYL)-CYCLOHEXANE-1,3-DIONE
C13H11F3O2 (256.07111019999996)
2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
3-(4-trifluoromethyl-phenyl)-1h-pyrazole-4-carboxylic acid
6-Fluoro-3-(4-piperidine)-1,2-benzoisoxazole hydrochloride
b-D-erythro-Pentofuranuronic acid,1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
ETHYL 5-(2-ACETOXYETHYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE
5-Methyl-2-(methylthio)-7-phenylimidazo[5,1-f][1,2,4]triazine
2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]pyridine
5-[3-(TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE
C12H7F3O3 (256.03472680000004)
5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde
C12H7F3O3 (256.03472680000004)
3-FURANCARBOXYLIC ACID, 5-PHENYL-2-(TRIFLUOROMETHYL)-
C12H7F3O3 (256.03472680000004)
3-(2-Amino-thiazol-4-yl)-5-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester
5-[3-(trifluoromethyl)phenyl]-2-furoic acid
C12H7F3O3 (256.03472680000004)
5-chloro-3-(2-pyridin-4-ylethyl)-1H-indole
C15H13ClN2 (256.07672080000003)
Boronic acid, [8-(trifluoromethoxy)-2-naphthalenyl]- (9CI)
1-METHANESULFONYL-4-PHENYLETHYNYL-BENZENE
C15H12O2S (256.05579720000003)
5-(4-(TRIFLUOROMETHYL)PHENYL)THIOPHENE-2-CARBALDEHYDE
C12H7F3OS (256.01696880000003)
3-(1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
2-(4-Methoxyphenyl)benzothiophene-6-ol
C15H12O2S (256.05579720000003)
(3-hydroxycyclobutyl)methyl 4-methylbenzenesulfonate
Acetic acid, 2-chloro-2-[2-(3-Methoxyphenyl)hydrazinylidene]-, ethyl ester
4-(2-methylimidazol-1-yl)benzoic acid,hydrochloride
potassium (2-ethoxycarbonylphenyl)trifluoroborate
C9H9BF3KO2 (256.02847399999996)
5-(3-TRIFLUOROMETHYL-PHENYL)-THIOPHENE-2-CARBALDEHYDE
C12H7F3OS (256.01696880000003)
3-Benzyl-4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine
C15H13ClN2 (256.07672080000003)
4-AMINO-2-(4-METHYLPHENYL)-6-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE
3-AMINO-3-(4-HYDROXY-3-METHOXY-5-NITRO-PHENYL)-PROPIONIC ACID
1-(2-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
3-(4-Chlorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
(N-methyl-(11c))2-(4-methylaminophenyl)-6-hydroxybenzothiazole
alpha-Ochratoxin
C11H9ClO5 (256.01384939999997)
D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-methyl-N-(4-methyl-5-oxo-dithiolo[4,3-b]pyrrol-6-yl)propanamide
Hydrangeic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Acetic acid, ((diethoxyphosphinothioyl)oxy)-, ethyl ester (9CI)
Methylglyoxal bis(guanylhydrazone) dihydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C2090 - S-Adenosyl-Methionine Decarboxylase Inhibitor
5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione
C13H11F3O2 (256.07111019999996)
6-(2-Methyl-3-benzofuranyl)-2,3-dihydroimidazo[2,1-b]thiazole
2-Amino-3-(oxindol-3-yl)propionic acid hydrochloride
(E)-3-(1,3-benzodioxol-5-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
Chlormidazole
C15H13ClN2 (256.07672080000003)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives C254 - Anti-Infective Agent > C514 - Antifungal Agent
Liquiritigenin
Liquiritigenin, a flavanone isolated from Glycyrrhiza uralensis, is a highly selective estrogen receptor β (ERβ) agonist with an EC50 of 36.5 nM for activation of the ERE tk-Luc. Liquiritigenin, a flavanone isolated from Glycyrrhiza uralensis, is a highly selective estrogen receptor β (ERβ) agonist with an EC50 of 36.5 nM for activation of the ERE tk-Luc.
7E-Mycosinyl acetate
7E-Mycosinyl acetate is found in herbs and spices. 7E-Mycosinyl acetate is from Chrysanthemum coronarium (chop-suey greens). Isol. Chrysanthemum coronarium (chop-suey greens). 7Z-Mycosinyl acetate is found in herbs and spices.
Butanedioic acid, 2,3-dihydroxy-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-
N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)butanamide
1H-Indol-5-ol, 3-(2-aminoethyl)-, hydrogen sulfate (ester)
2-[2-[4-(Trifluoromethoxy)phenyl]hydrazinyl]propanedinitrile
N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzothiazol-2-amine
6-methyl-3-(prop-2-enylthio)-5H-[1,2,4]triazino[5,6-b]indole
5,7-Dichloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
N-[bis(methylthio)methylideneamino]-4-hydroxybenzamide
5-phenyl-3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-6-one
3-(4-Methylpyrimidin-2-yl)sulanyl-1-phenylprop-2-en-1-one
2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]acetic acid
(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
5-(Methylthio)salicylic acid, trimethylsilyl ester
3-[(3,6-Dioxo-1,4-cyclohexadienyl)methyl]-p-tropoquinone
1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)prop-2-en-1-one
Ochratoxin alpha
C11H9ClO5 (256.01384939999997)
A member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. A non-toxic metabolite of the mycotoxin ochratoxin A.
NMDAR/TRPM4-IN-2 (free base)
NMDAR/TRPM4-IN-2 free base (compound 8) is a potent NMDAR/TRPM4 interaction interface inhibitor. NMDAR/TRPM4-IN-2 free base shows neuroprotective activity. NMDAR/TRPM4-IN-2 free base prevents NMDA-induced cell death and mitochondrial dysfunction in hippocampal neurons, with an IC50 of 2.1 μM. NMDAR/TRPM4-IN-2 free base protects mice from MCAO-induced brain damage and NMDA-induced retinal ganglion cell loss[1]. NMDAR/TRPM4-IN-2 free base (compound 8) is a potent NMDAR/TRPM4 interaction interface inhibitor. NMDAR/TRPM4-IN-2 free base shows neuroprotective activity. NMDAR/TRPM4-IN-2 free base prevents NMDA-induced cell death and mitochondrial dysfunction in hippocampal neurons, with an IC50 of 2.1 μM. NMDAR/TRPM4-IN-2 free base protects mice from MCAO-induced brain damage and NMDA-induced retinal ganglion cell loss[1].