Exact Mass: 256.0864412
Exact Mass Matches: 256.0864412
Found 500 metabolites which its exact mass value is equals to given mass value 256.0864412,
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].
Nicotinic acid ribonucleoside
C11H14NO6+ (256.08210840000004)
Nicotinic acid ribonucleoside (CAS: 17720-18-2) belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Nicotinic acid ribonucleoside is involved in the nicotinate and nicotinamide metabolism pathways. Nicotinic acid ribonucleoside can be reversibly converted into nicotinate and nicotinate D-ribonucleoside by purine-nucleoside phosphorylase (EC 2.4.2.1) and 5-nucleotidase (EC 3.1.3.5), respectively. Nicotinate D-ribonucleoside is involved in the nicotinate and nicotinamide metabolism pathways. Nicotinate D-ribonucleoside can be reversibly converted to nicotinate and nicotinate D-ribonucleoside by purine-nucleoside phosphorylase [EC:2.4.2.1] and 5-nucleotidase [EC:3.1.3.5], respectively. [HMDB] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Fluorofelbamate
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Deshydroxythienamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
N-Acetoxy-IQ
An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an acetoxyamino group at position 2. The active metabolite of the dietary carcinogen 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine (IQ).
Xylazine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Aryl beta-D-glucoside
Phenyl β-D-glucopyranoside has anti-cancer and anti-inflammatory activities. Phenyl β-D-glucopyranoside inhibits nitric oxide (NO) production, and the expression of iNOS and COX-2. Phenyl β-D-glucopyranoside also inhibits the nuclear translocation of NF-κB[1]. Phenyl β-D-glucopyranoside has anti-cancer and anti-inflammatory activities. Phenyl β-D-glucopyranoside inhibits nitric oxide (NO) production, and the expression of iNOS and COX-2. Phenyl β-D-glucopyranoside also inhibits the nuclear translocation of NF-κB[1].
Phenylglucoside
Phenyl β-D-glucopyranoside has anti-cancer and anti-inflammatory activities. Phenyl β-D-glucopyranoside inhibits nitric oxide (NO) production, and the expression of iNOS and COX-2. Phenyl β-D-glucopyranoside also inhibits the nuclear translocation of NF-κB[1]. Phenyl β-D-glucopyranoside has anti-cancer and anti-inflammatory activities. Phenyl β-D-glucopyranoside inhibits nitric oxide (NO) production, and the expression of iNOS and COX-2. Phenyl β-D-glucopyranoside also inhibits the nuclear translocation of NF-κB[1].
3-(2-methylprop-2-enylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
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
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.
2-(5-Chloro-2-methylanilino)-2-phenylacetonitrile
C15H13ClN2 (256.07672080000003)
Ethyl (3-cyano-1H-1,5-benzodiazepin-4-yl)carbamate
N-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)carbamimidothioic acid
1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
3-(4,7-dimethoxy-2H-benzo[d]1,3-dioxolan-5-yl)propane-1,2-diol
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
3-(9H-beta-carbolin-1-yl)-2-hydroxy-propionic acid|3-(9H-beta-Carbolin-1-yl)-2-hydroxy-propionsaeure|Picrasidine X
2-Hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]benzoic acid
3-carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid
(4-methoxybenzo[d][1,3]dioxol-5-yl)(phenyl)methanone
methyl (+)-rel-(1R,3S,4S,5R,8R,9R)-1,3,4,5,8,9-hexahydro-8-hydroxy-3-methoxy-2H-1a,2-dioxacyclopent[cd]indene-4-carboxylate|methyl rel-(2aR,4aR,5S,6S,7aR,7bR)-2a,4a,5,6,7a,7b-hexahydro-2a-hydroxy-6-methoxy-2H-1,7-dioxycyclopent[cd]indene-5-carboxylate
2-(1-Acetoxypentadiin-(2.4)-yl)-benzoesaeuremethylester|2-<1-Acetoxypentadiin-(2.4)-yl>-benzoesaeuremethylester
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.
8-O-acetylmultiplolide A|rel-(4R,6R,7S,8E)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl acetate
5-methoxy-7-hydroxy-9,10-dihydro-1,4-phenanthrenequinone
3-butyryl-6-[(1S*,2S*)-1,2-dihydroxypropyl]-4-hydroxy-2H-pyran-2-one
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
(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
2-Methyl-3-formyl-5-methoxycarbonyl-3,4-dihydro-2H-pyran-4-acetic acid methyl ester
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.
(+/-)-viridicatic acid|(-)-Viridicatic acid|(4-hexanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl)acetic acid|(??)-Viridicatic acid|4-Carboxymethyl-2-hexanoyl-3,4-dihydroxy-but-2-en-saeure-1,4-lacton|viridicatic acid
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
4-Methoxy-1-methoxycarbonyl-beta-carboline
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
4-(MORPHOLINE-4-SULFONYL)-BENZYLAMINE HYDROCHLORIDE
4-METHYL-(PHENYLSULFONYL) PROPANOIC ACID ETHYL ESTER
Propane,2-[[[(1,1-dimethylethyl)sulfonyl]methyl]sulfonyl]-2-methyl-
C9H20O4S2 (256.08029600000003)
4-(METHOXYCARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-(METHOXYCARBONYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-Amino-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester
3-Chloro-5-fluorobenzeneboronic acid pinacol ester
1-BENZYL-2-(CHLOROMETHYL)-1H-BENZO[D]IMIDAZOLE
C15H13ClN2 (256.07672080000003)
tert-Butyl (2-chloro-5-methylpyridin-3-yl)methylcarbamate
2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetic acid
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)
2-(3-Chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
METHYL 3-FORMYL-2-HYDROXY-[1,1-BIPHENYL]-3-CARBOXYLATE
Ethyl 5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylate
N-[2-(dimethylamino)ethyl]-4-formylbenzenesulfonamide
3-AMINO-1-BENZYLPYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
(2R,3R,4S)-5,5-bis(ethylsulfanyl)pentane-1,2,3,4-tetrol
C9H20O4S2 (256.08029600000003)
ozolinone
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Salicylidene salicylhydrazide
SCS (Salicylidene salicylhydrazide) is a potent, allosteric and selective inhibitor of β1-containing GABAA receptors with an IC50 of 32 nM against α2β1γ1θ by VIPR measurement. SCS is also a chelator of metal ions[1].
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
2-(5-CHLORO-2-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-[(2,4-Dimethylphenyl)sulfonyl]acetic acid ethyl ester
BENZYL 3-AMINOPYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE
1-(4-METHOXYPHENYL)-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
C12H11F3N2O (256.08234319999997)
Methanesulfonamide, N-[4-(1-aminocyclopropyl)-2-methoxyphenyl]
(3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzyl alcohol
C12H11F3N2O (256.08234319999997)
3-(METHOXYCARBONYL)[1,1-BIPHENYL]-4-CARBOXYLIC ACID
3-Morpholin-4-yl-5-trifluoromethyl-benzonitrile
C12H11F3N2O (256.08234319999997)
Ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
7-chloro-2-(3,4-diMethylphenyl)iMidazo[1,2-a]pyridine
C15H13ClN2 (256.07672080000003)
5-((TERT-BUTOXYCARBONYL)AMINO)-2-FLUOROISONICOTINIC ACID
6-Fluoro-3-(4-piperidine)-1,2-benzoisoxazole hydrochloride
ETHYL 5-(2-ACETOXYETHYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE
5-Methyl-2-(methylthio)-7-phenylimidazo[5,1-f][1,2,4]triazine
L-3-(3,4-Dimethoxyphenyl)-alpha-amino-2-methylpropionitrile hydrochloride
5-chloro-3-(2-pyridin-4-ylethyl)-1H-indole
C15H13ClN2 (256.07672080000003)
2-chloro-5-fluorobenzeneboronic acid pinacol ester
(3-hydroxycyclobutyl)methyl 4-methylbenzenesulfonate
1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
4-Chloro-2-fluorobenzeneboronic acid pinacol ester
((3aR,4S,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)Methyl acetate
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
Caldaret
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C93038 - Cation Channel Blocker
Hydrangeic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2,2,2-Trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide
C12H11F3N2O (256.08234319999997)
(E)-3-(1,3-benzodioxol-5-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
2-Hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid
1,1-Dichloro-1-trimethylsilyl-2-heptanol
C10H22Cl2OSi (256.08169019999997)
1,1-Dichloro-3-methyl-1-trimethylsilyl-2-hexanol
C10H22Cl2OSi (256.08169019999997)
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 5,6-dihydro-1-oxo-, methyl 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
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.
AIDS-186138
Phenyl β-D-glucopyranoside has anti-cancer and anti-inflammatory activities. Phenyl β-D-glucopyranoside inhibits nitric oxide (NO) production, and the expression of iNOS and COX-2. Phenyl β-D-glucopyranoside also inhibits the nuclear translocation of NF-κB[1]. Phenyl β-D-glucopyranoside has anti-cancer and anti-inflammatory activities. Phenyl β-D-glucopyranoside inhibits nitric oxide (NO) production, and the expression of iNOS and COX-2. Phenyl β-D-glucopyranoside also inhibits the nuclear translocation of NF-κB[1].
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.
5-Carboxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinolin-9-olate
5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoate
(2E)-2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetic acid
1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid
C11H14NO6+ (256.08210840000004)
N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzothiazol-2-amine
2-Hydroxy-N-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
6-methyl-3-(prop-2-enylthio)-5H-[1,2,4]triazino[5,6-b]indole
Pyroglutamylglutaminate
A peptide anion that is the conjugate base of pyroglutamylglutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
3-Hydroxy-3-(2,3,4-trimethoxyphenyl)propanoic acid
3-Hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid
(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
D-ribosylnicotinic acid
C11H14NO6+ (256.08210840000004)
A pyridine nucleoside consisting of nicotinic acid with a beta-D-ribofuranosyl moiety at the 1-position. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
8-Dehydroxythienamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)prop-2-en-1-one
1,6-dimethoxyphenazine N(5)-oxide
An N-oxide that is 1,6-dimethoxyphenazine carrying an oxido group at positions 5; Major microspecies at pH 7.3.
Eltoprazine (hydrochloride)
Eltoprazine (DU 28853) hydrochloride is a 5-HT1A/5-HT1B receptors agonist and a 5-HT2C receptor antagonist. Eltoprazine hydrochloride shows antiaggressive and anxiogenic effects[1][2].
methyl (2s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
(4s,5s,7z)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-yl acetate
(2e)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
(2r)-5,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2s,3r,5s,6r,10r,11r)-2,6,11-trihydroxy-10-propyl-4,9-dioxatricyclo[5.4.0.0³,⁵]undec-1(7)-en-8-one
6-hydroxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[1,2-b]furan-4,5-dione
7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-yl acetate
3-hydroxy-4-methoxy-2-[(2e)-3-phenylprop-2-enoyl]cyclopenta-2,4-dien-1-one
4-(dimethylamino)-6-(1h-indol-3-yl)-1,3,5-oxadiazin-2-one
2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]benzaldehyde
2,4-dihydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
(1s,4r,6r,7r,8e,10s)-6-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-7-yl acetate
4,8-dimethoxy-9h-pyrido[3,4-b]indole-1-carbaldehyde
1,4-dihydroxy-3-(hydroxymethyl)-9ah-anthracen-9-one
1-phenyl-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
(2R,3 R)-3,7-dihydroxyflavanone
{"Ingredient_id": "HBIN006405","Ingredient_name": "(2R,3 R)-3,7-dihydroxyflavanone","Alias": "(2R,3R)-3,7-dihydroxyflavanone","Ingredient_formula": "C15H12O4","Ingredient_Smile": "C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "256.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41729;42005","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14730799","DrugBank_id": "NA"}
3-hydroxydehydro-iso-α-lapachone
{"Ingredient_id": "HBIN008710","Ingredient_name": "3-hydroxydehydro-iso-\u03b1-lapachone","Alias": "NA","Ingredient_formula": "C15H12O4","Ingredient_Smile": "CC(=C)C1C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9972","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3S)-6,8-Dihydroxy-3-Phenyl-3,4-Dihydro-iso-coumarin
{"Ingredient_id": "HBIN009677","Ingredient_name": "(3S)-6,8-Dihydroxy-3-Phenyl-3,4-Dihydro-iso-coumarin","Alias": "NA","Ingredient_formula": "C15H12O4","Ingredient_Smile": "C1C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC=CC=C3","Ingredient_weight": "256.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41357","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10400162","DrugBank_id": "NA"}