Exact Mass: 330.0950778
Exact Mass Matches: 330.0950778
Found 500 metabolites which its exact mass value is equals to given mass value 330.0950778,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aurantio-obtusin
Aurantio-obtusin is a trihydroxyanthraquinone that is 1,3,7-trihydroxy-9,10-anthraquinone which is by methoxy groups at positions 2 and 8, and by a methyl group at position 6. Aurantio-obtusin is a natural product found in Senna obtusifolia and Senna tora with data available. Aurantio-obtusin is an anthraquinone isolated from Semen Cassiae, with anti-Inflammatory, anti-oxidative, anti-coagulating and anti-hypertension activities[1][2][3]. Aurantio-obtusin relaxes systemic arteries through endothelial PI3K/AKT/eNOS-dependent signaling pathway in rats, thus acts as a new potential vasodilator[2]. Aurantio-obtusin inhibits allergic responses in IgE-mediated mast cells and anaphylactic models and is potential for treatment for allergy-related diseases[3]. Aurantio-obtusin is an anthraquinone isolated from Semen Cassiae, with anti-Inflammatory, anti-oxidative, anti-coagulating and anti-hypertension activities[1][2][3]. Aurantio-obtusin relaxes systemic arteries through endothelial PI3K/AKT/eNOS-dependent signaling pathway in rats, thus acts as a new potential vasodilator[2]. Aurantio-obtusin inhibits allergic responses in IgE-mediated mast cells and anaphylactic models and is potential for treatment for allergy-related diseases[3].
Acetylshikonin
Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. Acetylshikonin is a natural product found in Echium plantagineum, Lithospermum erythrorhizon, and other organisms with data available. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3]. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].
3,7-Dimethylquercetin
3,4,5-trihydroxy-3,7-dimethoxyflavone is a dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin. It has a role as an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and a metabolite. It is a trihydroxyflavone and a dimethoxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 3,4,5-trihydroxy-3,7-dimethoxyflavone(1-). 3,7-Di-O-methylquercetin is a natural product found in Wollastonia biflora, Psiadia viscosa, and other organisms with data available. 3,7-Dimethylquercetin is found in beer. 3,7-Dimethylquercetin is isolated from various plants including many Asteraceae [CCD Isolated from various plants including many Asteraceae [CCD]. 3,7-Dimethylquercetin is found in beer and grape wine. A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin.
Aflatoxin G2
Aflatoxin G2 is a minor mycotoxin produced by Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
Tricin
[Raw Data] CBA24_Tricin_neg_50eV_1-6_01_1424.txt [Raw Data] CBA24_Tricin_pos_50eV_1-6_01_1397.txt [Raw Data] CBA24_Tricin_neg_10eV_1-6_01_1368.txt [Raw Data] CBA24_Tricin_pos_40eV_1-6_01_1396.txt [Raw Data] CBA24_Tricin_pos_20eV_1-6_01_1394.txt [Raw Data] CBA24_Tricin_neg_30eV_1-6_01_1422.txt [Raw Data] CBA24_Tricin_neg_20eV_1-6_01_1421.txt [Raw Data] CBA24_Tricin_pos_10eV_1-6_01_1357.txt [Raw Data] CBA24_Tricin_pos_30eV_1-6_01_1488.txt [Raw Data] CBA24_Tricin_neg_40eV_1-6_01_1423.txt Tricin is a natural flavonoid present in large amounts in Triticum aestivum. Tricin can inhibit human cytomegalovirus (HCMV) replication by inhibiting CDK9. Tricin inhibits the proliferation and invasion of C6 glioma cells via the upregulation of focal-adhesion-finase (FAK)-targeting microRNA-7[1][2][3]. Tricin is a natural flavonoid present in large amounts in Triticum aestivum. Tricin can inhibit human cytomegalovirus (HCMV) replication by inhibiting CDK9. Tricin inhibits the proliferation and invasion of C6 glioma cells via the upregulation of focal-adhesion-finase (FAK)-targeting microRNA-7[1][2][3].
Vanilloyl glucose
Vanilloyl glucose is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanilloyl glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). Vanilloyl glucose can be found in a number of food items such as orange bell pepper, yellow bell pepper, pepper (c. annuum), and red bell pepper, which makes vanilloyl glucose a potential biomarker for the consumption of these food products.
Cirsiliol
Cirsiliol, also known as 3,4,5-trihydroxy-6,7-dimethoxyflavone or 6,7-dimethoxy-5,3,4-trihydroxyflavone, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, cirsiliol is considered to be a flavonoid lipid molecule. Cirsiliol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cirsiliol can be found in common sage and lemon verbena, which makes cirsiliol a potential biomarker for the consumption of these food products. Cirsiliol is a potent and selective 5-lipoxygenase inhibitor and a competitive low affinity benzodiazepine receptor ligand. Cirsiliol is a potent and selective 5-lipoxygenase inhibitor and a competitive low affinity benzodiazepine receptor ligand. Cirsiliol is a potent and selective 5-lipoxygenase inhibitor and a competitive low affinity benzodiazepine receptor ligand.
3,6-Dihydroxy-2,4,4-trimethoxy-chalcone
4-Hydroxy-5,6,7-trimethoxyflavanone
A methoxyflavanone that is flavanone substituted by methoxy groups at positions 5, 6 and 7 and a hydroxy group at position 4.
Halofenozide
C18H19ClN2O2 (330.11349839999997)
CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9143; ORIGINAL_PRECURSOR_SCAN_NO 9141 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4630; ORIGINAL_PRECURSOR_SCAN_NO 4626 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4611; ORIGINAL_PRECURSOR_SCAN_NO 4607 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4638; ORIGINAL_PRECURSOR_SCAN_NO 4635 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9111; ORIGINAL_PRECURSOR_SCAN_NO 9106 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4651; ORIGINAL_PRECURSOR_SCAN_NO 4647 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9131; ORIGINAL_PRECURSOR_SCAN_NO 9126 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9092; ORIGINAL_PRECURSOR_SCAN_NO 9088 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9065 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4674; ORIGINAL_PRECURSOR_SCAN_NO 4671 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9073; ORIGINAL_PRECURSOR_SCAN_NO 9068 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4661; ORIGINAL_PRECURSOR_SCAN_NO 4658 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
(+)-Sesamin dicatechol
A furofuran that is (+)-sesamin in which both of the methylene acetals groups have been hydrolysed to afford the corresponding bis-catechol. Found as a product of (+)-sesamin in rat liver homogenate and also produced from sesamin by an enzyme (SesA) found in Sinomonas species. no. 22 growing on sesamin.
Caryatin
Caryatin is a member of flavonoids and an ether. Caryatin is a natural product found in Aeonium decorum, Aeonium lindleyi, and other organisms with data available. Isolated from pecan nuts Carya pecan. 3,5-Dimethylquercetin is found in pecan nut and nuts. Caryatin is found in nuts. Caryatin is isolated from pecan nuts Carya pecan.
Prudomestin
Prudomestin is a hydroxyflavan. Prudomestin is a natural product found in Zanthoxylum acanthopodium and Prunus domestica with data available. Prudomestin is found in european plum. Prudomestin is isolated from heartwood of Prunus domestica (plum Isolated from heartwood of Prunus domestica (plum). Prudomestin is found in fruits and european plum. Prudomestin, isolated from the heartwood of Prunus domestica, shows potent xanthine oxidase (XO) inhibitory activity (IC50≈6?μM)[1][2].
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is found in herbs and spices. (R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is a constituent of Coriandrum sativum (coriander) (R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is a hydroxycinnamic acid.
Aflatoxin M2
Trace mycotoxin of Aspergillus flavus [CCD].Aflatoxins are naturally occurring mycotoxins that are produced by many species of Aspergillus, a fungus, most notably Aspergillus flavus and Aspergillus parasiticus. Aflatoxins are toxic and among the most carcinogenic substances known. Aflatoxin M2 is a metabolite of aflatoxin B2 in milk of cattle fed on contaminated foods. (Wikipedia) D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
Trifolian
Trifolian is found in herbs and spices. Trifolian is isolated from roots of Trifolium pratense (red clover). Isolated from roots of Trifolium pratense (red clover). Trifolian is found in tea and herbs and spices.
(±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin
(±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon. (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is isolated from bark of Chinese cinnamon (Cinnamomum cassia). Isolated from bark of Chinese cinnamon (Cinnamomum cassia). (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon and herbs and spices.
Americanol
Constituent of Phytolacca americana (pokeberry). Americanol is found in fruits and green vegetables. Americanol is found in fruits. Americanol is a constituent of Phytolacca americana (pokeberry).
Melilotocarpan C
Melilotocarpan C is found in herbs and spices. Melilotocarpan C is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan C is found in herbs and spices and pulses.
3',4'-Di-O-methylquercetin
3,4-Di-O-methylquercetin is found in beverages. 3,4-Di-O-methylquercetin is isolated from Dillenia indica (elephant apple). Isolated from Dillenia indica (elephant apple). 3,4-Dimethylquercetin is found in beverages and fruits.
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is found in herbs and spices. 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is isolated from Muscari comosum (tassel hyacinth). Isolated from Muscari comosum (tassel hyacinth). 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is found in herbs and spices.
3'-Glucosyl-2',4',6'-trihydroxyacetophenone
3-Glucosyl-2,4,6-trihydroxyacetophenone is found in herbs and spices. 3-Glucosyl-2,4,6-trihydroxyacetophenone is a constituent of the leaves of Syzygium aromaticum (clove). Constituent of the leaves of Syzygium aromaticum (clove). 3-Glucosylphloroacetophenone is found in herbs and spices.
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is found in herbs and spices. 7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is a constituent of Muscari species. Constituent of Muscari subspecies 7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is found in herbs and spices.
Demethoxysudachitin
Demethoxysudachitin is found in citrus. Demethoxysudachitin is isolated from Citrus sudachi and Mentha piperit
Pilosin
Pilosin is found in herbs and spices. Pilosin is a constituent of Ocimum americanum var. pilosum and Ocimum x citriodorum (lemon basil). Constituent of Ocimum americanum variety pilosum and Ocimum x citriodorum (lemon basil). Pilosin is found in herbs and spices. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3]. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3].
4-Hydroxy-2,3,9-trimethoxypterocarpan
4-Hydroxy-2,3,9-trimethoxypterocarpan is found in common pea. 4-Hydroxy-2,3,9-trimethoxypterocarpan is isolated from Pisum sativum (pea).
1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone
1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone is found in coffee and coffee products. 1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone is isolated from roots of Cassia tora (charota). Isolated from roots of Cassia tora (charota). 1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone is found in coffee and coffee products, herbs and spices, and pulses.
Cicerin
Cicerin is found in pulses. Cicerin is a constituent of Cicer arietinum (chickpea). Constituent of Cicer arietinum (chickpea). Cicerin is found in pulses.
Aflatoxin B2a
Aflatoxin B2a is a metabolite of Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). Metabolite of Aspergillus flavus
Isoamericanol A
Isoamericanol A is found in american pokeweed. Isoamericanol A is isolated from the seeds of Phytolacca americana (pokeberry). Isolated from the seeds of Phytolacca americana (pokeberry). Isoamericanol A is found in fruits and american pokeweed.
3,4-Dihydroxyphenacyl caffeate
3,4-Dihydroxyphenacyl caffeate is found in green vegetables. 3,4-Dihydroxyphenacyl caffeate is a constituent of the rhizomes of Petasites japonicus (sweet coltsfoot)
Cerasinone
Isolated from Prunus cerasus (cherry). Cerasinone is found in fruits and sour cherry. Cerasinone is found in fruits. Cerasinone is isolated from Prunus cerasus (cherry).
Aflatoxin B1 dialcohol
Aflatoxin B1 dialcohol is an aflatoxin B1 metabolite. Aflatoxins are naturally occurring mycotoxins that are produced by many species of Aspergillus, a fungus, most notably Aspergillus flavus and Aspergillus parasiticus. At least 13 different types of aflatoxin are produced in nature. Aflatoxin B1 is considered the most toxic and is produced by both Aspergillus flavus and Aspergillus parasiticus. The native habitat of Aspergillus is in soil, decaying vegetation, hay, and grains undergoing microbiological deterioration and it invades all types of organic substrates whenever conditions are favorable for its growth. Favorable conditions include high moisture content (at least 7\\%) and high temperature. Aflatoxins B1 (AFB1) are contaminants of improperly stored foods; they are potent genotoxic and carcinogenic compounds, exerting their effects through damage to DNA. They can also induce mutations that increase oxidative damage. (PMID: 17214555). Crops which are frequently affected by Aspergillus contamination include cereals (maize, sorghum, pearl millet, rice, wheat), oilseeds (peanut, soybean, sunflower, cotton), spices (chile peppers, black pepper, coriander, turmeric, ginger), and tree nuts (almond, pistachio, walnut, coconut, brazil nut). Aflatoxin B1 dialcohol is a derivative of aflatoxin B1 (AFB1) that is formed from AFB1-dihydrodiol (AFB1-dhd) by a novel aldehyde reductase (Aflatoxin B1 aldehyde reductase) (PMID: 1134261). Aflatoxin B1 aldehyde reductases (AFARs) are inducible members of the aldo-keto reductase superfamily. They convert aflatoxin B1 dialdehyde derived from the exo- and endo-8,9-epoxides into a number of reduced alcohol products that might be less capable of forming covalent adducts with proteins (PMID: 18266327). AFB1 dialdehyde does not bind to DNA but can react with protein lysine groups. There are two principal techniques that can be used to detect levels of aflatoxin in humans. One measures the AFB1-guanine adduct in the urine of subjects. The presence of this breakdown product indicates exposure to aflatoxin B1 in the past 24 hours. The second technique involves the measurement of the AFB1-albumin adduct level in the blood serum.
Americanol A
Americanol A is found in fruits. Americanol A is isolated from seeds of Phytolacca americana (pokeberry). Isolated from seeds of Phytolacca americana (pokeberry). Americanol A is found in fruits.
5,7-Dihydroxy-8,4'-dimethoxyisoflavone
5,7-Dihydroxy-8,4-dimethoxyisoflavone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Hydroxytyrosol 3'-glucuronide
Hydroxytyrosol 4'-glucuronide
1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
8-(3-Chlorostyryl)caffeine
Dimethyl 3,4-dimethoxy-6-phenylbenzene-1,2-dicarboxylate
Vanillic acid 4-beta-D-glucoside
Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-beta-D-glucoside, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products. Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-β-D-glucoside, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products.
Orsellinic acid 2-O-beta-D-glucoside
Orsellinic acid 2-o-beta-d-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Orsellinic acid 2-o-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Orsellinic acid 2-o-beta-d-glucoside can be found in cloves, which makes orsellinic acid 2-o-beta-d-glucoside a potential biomarker for the consumption of this food product.
6-Hydroxykaempferol 3,6-dimethylether
6-hydroxykaempferol 3,6-dimethylether, also known as 4,5,7-trihydroxy-3,6-dimethoxyflavone, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 6-hydroxykaempferol 3,6-dimethylether is considered to be a flavonoid lipid molecule. 6-hydroxykaempferol 3,6-dimethylether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxykaempferol 3,6-dimethylether can be found in sweet cherry, which makes 6-hydroxykaempferol 3,6-dimethylether a potential biomarker for the consumption of this food product.
3'-O-Methylviolanone
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5U4Y68G678
Jaceosidin is a trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4 and methoxy groups at positions 3 and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. It has a role as a metabolite, an anti-inflammatory agent, an apoptosis inducer, an anti-allergic agent and an antineoplastic agent. It is a trihydroxyflavone and a dimethoxyflavone. Jaceosidin is a natural product found in Eupatorium capillifolium, Eupatorium leucolepis, and other organisms with data available. A trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4 and methoxy groups at positions 3 and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3]. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3].
Iristectorigenin
Iristectorigenin B is a natural product found in Iris japonica, Sophora tomentosa, and other organisms with data available. Iristectorigenin B (Iristectrigenin B) is a liver X receptor (LXR) modulator. Iristectrigenin B stimulates the transcriptional activity of both LXR-α and LXR-β[1]. Iristectorigenin B (Iristectrigenin B) is a liver X receptor (LXR) modulator. Iristectrigenin B stimulates the transcriptional activity of both LXR-α and LXR-β[1]. Iristectorigenin B (Iristectrigenin B) is a liver X receptor (LXR) modulator. Iristectrigenin B stimulates the transcriptional activity of both LXR-α and LXR-β[1].
5,7,4-Trihydroxy-3-methoxy-6,8-di-C-methylflavanone
3-(3,4-Dimethoxybenzyl)-5-methoxy-7-hydroxyisobenzofuran-1(3H)-one
5-Methoxypeltogynone
Eriodictyol 7,3,4-trimethyl ether
2-(2,3-dimethoxy-5-methylbenzoyl)-4-hydroxy-6-methoxybenzaldehyde
1,3,5-trihydroxy-4-(3-hydroxy-3-methylbutyl)xanthone
3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one
5-Methoxymopanone
beta-Hydroxy-2,6-dimethoxy-3,4-methylenedioxydihydrochalcone
6-Hydroxyluteolin 7,3-dimethyl ether
Hypolaetin 8,3-dimethyl ether
6-Hydroxykaempferol 3,6-dimethylether
6-hydroxykaempferol 3,6-dimethylether, also known as 4,5,7-trihydroxy-3,6-dimethoxyflavone, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 6-hydroxykaempferol 3,6-dimethylether is considered to be a flavonoid lipid molecule. 6-hydroxykaempferol 3,6-dimethylether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxykaempferol 3,6-dimethylether can be found in sweet cherry, which makes 6-hydroxykaempferol 3,6-dimethylether a potential biomarker for the consumption of this food product.
6-Hydroxykaempferol 3,7-dimethyl ether
6-Hydroxykaempferol 5,6-dimethyl ether
3,5,6-Trihydroxy-7,4-dimethoxyflavone
Herbacetin 7,8-dimethyl ether
3,5,2-Trihydroxy-7,5-dimethoxyflavone
Quercetin 3,4-dimethyl ether
A dimethoxyflavone that is the 3,4-dimethyl ether derivative of quercetin. Isolated from Combretum quadrangulare, it exhibits antineoplastic activity.
Quercetin 5,3-dimethyl ether
Rhamnazin
Rhamnacene is a dimethoxyflavone that is quercetin in which the hydroxy groups at the 3 and 7 positions have been replaced by methoxy groups. It has a role as a plant metabolite and an antineoplastic agent. It is a dimethoxyflavone, a trihydroxyflavone, an aromatic ether and a member of phenols. It is functionally related to a quercetin. It is a conjugate acid of a rhamnacene-3-olate. Rhamnazin is a natural product found in Ammi visnaga, Nymphoides indica, and other organisms with data available. A dimethoxyflavone that is quercetin in which the hydroxy groups at the 3 and 7 positions have been replaced by methoxy groups. Rhamnazin, also known as 3,7-dimethylquercetin or 3,5,4-trihydroxy-7,3-dimethoxyflavone, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, rhamnazin is considered to be a flavonoid lipid molecule. Rhamnazin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rhamnazin can be synthesized from quercetin. Rhamnazin can also be synthesized into viscumneoside VII and viscumneoside IV. Rhamnazin can be found in lemon balm, which makes rhamnazin a potential biomarker for the consumption of this food product. Rhamnazin is an O-methylated flavonol, a type of chemical compound. It can be found in Rhamnus petiolaris, a buckthorn plant endemic to Sri Lanka .
Ombuin
Ombuin is a dimethoxyflavone that is quercetin in which the hydroxy groups at positions 7 and 4 are replaced by methoxy groups. Isolated from Cyperus teneriffae, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent and a plant metabolite. It is a trihydroxyflavone, a member of flavonols and a dimethoxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 7,4-O-dimethylquercetin 3-olate. Ombuin is a natural product found in Chromolaena odorata, Clausena dunniana, and other organisms with data available. A dimethoxyflavone that is quercetin in which the hydroxy groups at positions 7 and 4 are replaced by methoxy groups. Isolated from Cyperus teneriffae, it exhibits anti-inflammatory activity. Ombuin, isolated from Zanthoxylum armatum, displays broad spectrum antibacterial effect with MIC ranges from 125 to 500 μg/mL[1]. Ombuin, isolated from Zanthoxylum armatum, displays broad spectrum antibacterial effect with MIC ranges from 125 to 500 μg/mL[1].
7,8,4-Trihydroxy-3,3-dimethoxyflavone
5,7,2-Trihydroxy-6,8-dimethoxyflavone
Isothymusin
Isothymusin, also known as 6,7-dimethoxy-5,8,4-trihydroxyflavone, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, isothymusin is considered to be a flavonoid lipid molecule. Isothymusin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isothymusin can be found in sour cherry, which makes isothymusin a potential biomarker for the consumption of this food product. Isothymusin is a natural product found in Prunus cerasus, Ocimum americanum, and other organisms with data available.
5,6,7-Trihydroxy-8,4-dimethoxyflavone
5,4,5-Trihydroxy-6,2-dimethoxyflavone
6,7,4-Trihydroxy-3,5-dimethoxyflavone
6-Hydroxykaempferol 3,4-dimethyl ether
5,7,8-Trihydroxy-3,4-dimethoxyflavone
2,4-Dihydroxy-2,3,6-trimethoxychalcone
2,4-Dihydroxy-2,3,6-trimethoxychalcone is a natural product found in Scutellaria discolor and Scutellaria barbata with data available.
1,3,5-Trihydroxy-2-methoxy-6-(methoxymethyl)anthraquinone
Jaceosidin
Jaceosidin, also known as 4,5,7-trihydroxy-3,6-dimethoxyflavone, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, jaceosidin is considered to be a flavonoid lipid molecule. Jaceosidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Jaceosidin can be found in lemon verbena, which makes jaceosidin a potential biomarker for the consumption of this food product. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3]. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3].
7,3,4-Trihydroxy-3,8-dimethoxyflavone
A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 7, 3 and 4 and methoxy groups at positions 3 and 8. Isolated from Mimosa diplotricha, it exhibits cytotoxic activity against human cancer cell lines.
Iristectorigenin B
Iristectorigenin A is a natural product found in Iris japonica, Sophora tomentosa, and other organisms with data available. Iristectorigenin A is a natural isoflavone isolated from B. chinensis rhizomes. Iristectorigenin A shows antioxidant activity[1][2]. Iristectorigenin A is a natural isoflavone isolated from B. chinensis rhizomes. Iristectorigenin A shows antioxidant activity[1][2].
Cirsiliol
Cirsiliol is a dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3 and 4 respectively. It has a role as a plant metabolite. It is a trihydroxyflavone and a dimethoxyflavone. It is functionally related to a flavone. Cirsiliol is a natural product found in Teucrium montanum, Thymus herba-barona, and other organisms with data available. A dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3 and 4 respectively. Cirsiliol is a potent and selective 5-lipoxygenase inhibitor and a competitive low affinity benzodiazepine receptor ligand. Cirsiliol is a potent and selective 5-lipoxygenase inhibitor and a competitive low affinity benzodiazepine receptor ligand. Cirsiliol is a potent and selective 5-lipoxygenase inhibitor and a competitive low affinity benzodiazepine receptor ligand.
Prudomestin
Prudomestin, isolated from the heartwood of Prunus domestica, shows potent xanthine oxidase (XO) inhibitory activity (IC50≈6?μM)[1][2].
Quercetin 3,7-dimethyl ether
Remerin
Tricin
3,5-di-O-methyltricetin is the 3,5-di-O-methyl ether of tricetin. Known commonly as tricin, it is a constituent of rice bran and has been found to potently inhibit colon cancer cell growth. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a metabolite. It is a trihydroxyflavone, a dimethoxyflavone and a member of 3-methoxyflavones. It is functionally related to a tricetin. It is a conjugate acid of a 3,5-di-O-methyltricetin(1-). Tricin is a natural product found in Carex fraseriana, Smilax bracteata, and other organisms with data available. See also: Arnica montana Flower (part of); Elymus repens root (part of). The 3,5-di-O-methyl ether of tricetin. Known commonly as tricin, it is a constituent of rice bran and has been found to potently inhibit colon cancer cell growth. Isolated from Triticum dicoccum (emmer). Tricin 5-diglucoside is found in wheat and cereals and cereal products. From leaves of Oryza sativa (rice). 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4h-chromen-4-one, also known as 3,5-O-dimethyltricetin or 5,7,4-trihydroxy-3,5-dimethoxy-flavone, is a member of the class of compounds known as 3-o-methylated flavonoids. 3-o-methylated flavonoids are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Thus, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4h-chromen-4-one is considered to be a flavonoid lipid molecule. 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4h-chromen-4-one can be synthesized from tricetin. 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4h-chromen-4-one is also a parent compound for other transformation products, including but not limited to, tricin 7-O-glucoside, 4-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin, and tricin 7-O-(6-O-malonyl)-beta-D-glucopyranoside. 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4h-chromen-4-one can be found in barley, common wheat, oat, and rice, which makes 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4h-chromen-4-one a potential biomarker for the consumption of these food products. Tricin is a natural flavonoid present in large amounts in Triticum aestivum. Tricin can inhibit human cytomegalovirus (HCMV) replication by inhibiting CDK9. Tricin inhibits the proliferation and invasion of C6 glioma cells via the upregulation of focal-adhesion-finase (FAK)-targeting microRNA-7[1][2][3]. Tricin is a natural flavonoid present in large amounts in Triticum aestivum. Tricin can inhibit human cytomegalovirus (HCMV) replication by inhibiting CDK9. Tricin inhibits the proliferation and invasion of C6 glioma cells via the upregulation of focal-adhesion-finase (FAK)-targeting microRNA-7[1][2][3].
TGSH
CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4153; ORIGINAL_PRECURSOR_SCAN_NO 4149 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4136; ORIGINAL_PRECURSOR_SCAN_NO 4135 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4138 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4162; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8854; ORIGINAL_PRECURSOR_SCAN_NO 8852 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8857; ORIGINAL_PRECURSOR_SCAN_NO 8855 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8874; ORIGINAL_PRECURSOR_SCAN_NO 8873 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8918 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8885
7-(diethylamino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione
4,6-dihydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-benzofuranone
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
1,2,7-trihydroxy-6 ,8-dimethoxy-3-methylanthraqu inone
(10R)-10,11-dihydro-6,10-dihydroxy-1,4,9-trimethoxy-5H-dibenzo[a,d]cyclohepten-5-one|onosmone
(2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-2-propen-1-one|2,4-Dihydroxy-2,4,6-trimethoxy-chalcon|Cerasin
2 inverted exclamation marka,4-Dihydroxy-3 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-trimethoxychalcone
2-Propen-1-one,1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-,(E)-
3-(3-Hydroxy-4-methoxybenzyl)-5-hydroxy-7-methoxychroman-4-one
5-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxychroman-4-one
2-Methoxy-3,7-dihydroxy-8,8,10-trimethyl-6,7-dihydroanthracene-1,4,5(8H)-trione
7-Me ether-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-mentyl-4-chromanone
4,5,8-trihydroxy-3,7-dimethoxyflavone|5,8,4-trihydroxy-7,3-dimethoxyflavone
3-(4-Methoxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
4,4,6-Tri-Me ether-1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione
1,4-bis(2-hydroxy-4-methoxyphenyl)butanedione|1.4-Bis-(2-hydroxy-4-methoxy-phenyl)-butandion-(1.4)|1.4-Bis-<2-hydroxy-4-methoxy-phenyl>-butandion-(1.4)
6-Me ether-3-(3,4-Dihydroxybenzylidene)-5,6,7-trihydroxy-4-chromanone
7-methylcapillarisin|capillartemisin-7-methyl ether
4-Hydroxy-5-oxo-5,7,8,13-tetrahydrobenz[g]indolo[2,3-a]quinolizine-1-carbaldehyde
C20H14N2O3 (330.10043740000003)
Aflatoxin B2a
1,3,7-Trihydroxy-2-(3-hydroxy-3-methylbutyl)xanthone
2,7-dihydroxy-3-(3-methoxy-4-hydroxy)-5-methoxyisoflavone
maltol-(6-O-acetyl)-beta-D-glucopyranoside|Maltol-(6-O-acetyl)-??-D-glucopyranoside
9,10-Anthracenedione, 1,3,5-trihydroxy-4,7-dimethoxy-2-methyl-
9,10-dihydro-2,3,5,6-tetramethoxyphenanthrene-1,4-dione
6-Me ether,di-Ac-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
3,4-dihydroxybenzoic acid 4-O-(4-O-methyl)-beta-D-glucopyranoside
5-acetyloxy-12-hydroxy-3-methoxybibenzyl-6-carboxylic acid
2-formyl-4,4-dihydroxy-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin K
(2R)-trans-2,3-diacetoxy-1-[(benzoyloxy)methyl]cyclohexa-4,6-diene|trans-2,3-diacetoxy-1-[(benzoyloxy)methyl]-cyclohexa-4,6-diene
3-(beta-D-glucopyranosyloxy)-4-methoxybenzoic acid|3-hydroxy-4-methoxybenzoic acid 3-O-beta-D-glucopyranoside
pterolinus F
A benzoate ester that is methyl 2,5-dihydroxybenzoate substituted by a prop-2-en-1-yl group at position 4 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl substituent at position 1. It has been isolated from Pterocarpus santalinus.
3-methoxy-4,4,5-trihydroxy-7-oxo-9-nor-3,7-epoxy-8,2-neolignane
rel-(1aR,2R,3R,7bS)-1a,2,3,7b-tetrahydro-2,3-dihydroxy-5-[2-(4-methoxyphenyl)ethyl]-7H-oxireno[f][1]benzopyran-7-one
(3S)-3,5,7-trihydroxyl-6,8-dimethyl-3-(4-hydroxylbenzyl)chroman-4-one|polygonatone C
2,6-bis(3,4-dihydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
1-(2,5-dihydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-7-methoxybenzofuran-5-carboxylic acid
5,7-Dihydroxy-3-(3,4-dimethoxybenzyl)chroman-4-one
5,8-dihydroxy-6,10-dimethoxy-2-propyl-benzo[g]chromen-4-one
methyl 4-(beta-D-glucopyranosyloxy)-3-hydroxybenzoate
3-(3-Hydroxy-2,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
13-Sulfo-dihydrosantamarine|13-sulfodihydrosantamarine
C15H22O6S (330.11370320000003)
2-Hydroxy-2-(4-methoxybenzyl)-4,6-dimethoxybenzofuran-3(2H)-one
1beta-sulfate-5alpha,6betaH-eudesma-3-en-12,6alpha-olide|rel-(3R,3aR,5aS,6S,9aR,9bR)-3a,4,5,5a,6,7,9a,9b-octahydro-6-sulfate-3,5a,9-trimethyl-naphtho[1,2-b]furan-2-(3H)-one
C15H22O6S (330.11370320000003)
4,6-Dimethoxy-6-(1,1-dimethyl-2-propenyl)-5H-furo[3,2-g][1]benzopyran-5,7(6H)-dione
(3S)-2,4,5-trimethoxy-7-hydroxyisoflavanone|7-hydroxy-2,4,5-trimethoxyisoflavone
2,4,6-trihydroxy-3-methylbenzaldehyde 2-O-beta-D-glucopyranoside|eucalmainoside C|eucalmanioside C
3-(3-Methoxy-4-hydroxybenzyl)-5,7-dimethoxyisobenzofuran-1(3H)-one
3-(EC-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
2(S)-5,7,3-Trihydroxy-6,8-dimethyl-5-methoxy-flavanone
1-(3-O-beta-D-glucopyranosyl-4,5-dihydroxyphenyl)-ethanone|1-(3-O-??-D-Glucopyranosyl-4,5-dihydroxyphenyl)-ethanone
Phaseoloidin
Phaseoloidin is a natural product found in Entada pursaetha, Entada rheedei, and Entada phaseoloides with data available. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2]. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2].
Acetylalkannin
Acetylalkannin is a natural product found in Arnebia hispidissima, Alkanna cappadocica, and other organisms with data available. Acetylalkannin (Alkannin acetate) is an isohexenylnaphthazarin pigment isolated from Arnebia euchroma with antimicrobial and cytotoxic activities[1]. Acetylalkannin (Alkannin acetate) is an isohexenylnaphthazarin pigment isolated from Arnebia euchroma with antimicrobial and cytotoxic activities[1].
Myrciaphenone A
Myrciaphenone A is a natural product found in Curcuma comosa, Leontodon tuberosus, and Myrcia multiflora with data available.
7,3,4-Tri-O-methyleriodictyol
Eriodictyol 7,3,4-trimethyl ether is a natural product found in Piper umbellatum with data available.
Halofenozide
C18H19ClN2O2 (330.11349839999997)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
C19H14N4O2_Quinazolino[3,2:1,6]pyrido[2,3-b][1,4]benzodiazepine-9,16-dione, 6,7,7a,8-tetrahydro
C14H18O9_Ethanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]
C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid
Triallyl trimellitate
CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9826; ORIGINAL_PRECURSOR_SCAN_NO 9823 CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9848; ORIGINAL_PRECURSOR_SCAN_NO 9846 CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9835; ORIGINAL_PRECURSOR_SCAN_NO 9834
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone
7-O-Methyl-3,9-dihydropunctatin
3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
Americanol
Americanol A
Isoamericanol
2-((1-Methylpropyl)amino)ethanol
3-Hydroxy-5,7-dimethoxy-3,4-methylenedioxyflavan
7-AMINO-4-METHYL-3-COUMARINACETIC ACID N-SUCCINIMIDYL ESTER
3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one
3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid
acetic acid,4-chloro-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
C17H15ClN2O3 (330.07711500000005)
5-Methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-3H-imidazo[4,5-b]pyridine
C16H18N4O2S (330.11504080000003)
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
C17H15ClN2O3 (330.07711500000005)
3,6-diaminospiro[2-benzofuran-3,9-xanthene]-1-one
C20H14N2O3 (330.10043740000003)
2-[(4-PHENOXYPHENYL)AMINO]-4H-1-BENZOXAZIN-4-ONE
C20H14N2O3 (330.10043740000003)
[(2R,3S,5R)-3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
2-(3,5-DICHLORO-4-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C15H21BCl2O3 (330.09607260000007)
10,12-Dihydro-7H,11H-benz[de]imidazo[4,5:5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione
Warfarin sodium
C19H15NaO4 (330.08679900000004)
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
ETHYL 5-METHYL-8-NITRO-6-OXO-5,6-DIHYDRO-4H-BENZO[F]IMIDAZO[1,5-A][1,4]DIAZEPINE-3-CARBOXYLATE
(2-naphthalen-1-yl-5-nitroquinolin-6-yl)methanol
C20H14N2O3 (330.10043740000003)
2-BROMO-6-TERT-BUTYL-4-(1,1-DIMETHOXYETHYL)ANISOLE
C15H23BrO3 (330.08304680000003)
1,1-DIPHENYLTETRAHYDRO-1H-OXAZOLO[3,4-A]PYRAZIN-3(5H)-ONE HYDROCHLORIDE
C18H19ClN2O2 (330.11349839999997)
(R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl methanesulfonate
C15H22O6S (330.11370320000003)
3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
5-HydroxyMethyl-2,3-O-isopropylidene-2-thiouridine
4-METHYL-1-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERIDINE DIHYDROCHLORIDE
3-[(3-nitrophenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
1-Prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonyl-benzene
2-BENZYLSULFANYL-7-HYDROXY-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
Tasipimidine sulfate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Tasipimidine sulfate is an orally active and selective α2A-adrenoceptor agonist with a pEC50 of 7.57 against human α2A-adrenoceptor. Tasipimidine sulfate can be used for situational anxiety and fear research[1].
Methyl 2-(1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
5-Methoxycarbonylmethyl-2'-O-methyluridine is a thymidine analogue. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
8-(3-Chlorostyryl)caffeine
Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
C20H14N2O3 (330.10043740000003)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid
A natural product found in Carthamus oxyacantha.
But-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
C20H14N2O3 (330.10043740000003)
3-Methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione
C16H18N4O2S (330.11504080000003)
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester
4-Methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
N-(2-methyl-1,3-dioxo-5-isoindolyl)-1-naphthalenecarboxamide
C20H14N2O3 (330.10043740000003)
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
C14H19ClN2O3S (330.08048540000004)
5-methoxy-N-methyl-2-[2-(methylcarbamoyl)phenyl]sulanylbenzamide
3,6-Dihydroxy-2,4,4-trimethoxy-chalcone
(R)-3-(3-Oxo-1-phenylbutyl)-4-sodiooxy-2H-1-benzopyran-2-one
C19H15NaO4 (330.08679900000004)
7H-Furo[3,2-g][1]benzopyran-7-one, 5-[(1,1-dimethylallyl)oxy]-4,6-dimethoxy-
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
(3r)-3-(Fluoromethyl)-7-(Thiomorpholin-4-Ylsulfonyl)-1,2,3,4-Tetrahydroisoquinoline
Pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate
C10H15BN4O6S (330.08053200000006)
5-Chloro-N-{4-[(1r)-1,2-Dihydroxyethyl]phenyl}-1h-Indole-2-Carboxamide
C17H15ClN2O3 (330.07711500000005)
2-Hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester
2-(Butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
C11H23O9P (330.10796380000005)
5-(benzylsulfonyl)-1-(3-methoxyphenyl)-1H-tetrazole
(±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin
(±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon. (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is isolated from bark of Chinese cinnamon (Cinnamomum cassia). Isolated from bark of Chinese cinnamon (Cinnamomum cassia). (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon and herbs and spices.
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxypropanoate
(2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea
C16H18N4O2S (330.11504080000003)
5-Methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[4-(methylthio)phenyl]methyl]-1,2-dihydropyrazol-3-one
C16H18N4O2S (330.11504080000003)
1-(4-Hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
C12H12F6N2O2 (330.08029239999996)
4-phenyl-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
N-[3-[[2-(4-chlorophenyl)-1-oxoethyl]amino]phenyl]butanamide
C18H19ClN2O2 (330.11349839999997)
2-[(4-nitrobenzyl)sulfanyl]-N-[(E)-pyridin-3-ylmethylidene]acetohydrazide
N-(2-hydroxybenzylidene)-2-[(4-methoxybenzyl)thio]acetohydrazide
(5-chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
C17H15ClN2O3 (330.07711500000005)
2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile
C18H12N5O2+ (330.09909519999997)
N-(1-naphthalenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
C20H14N2O3 (330.10043740000003)
[(1S,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
2-Hydroxy-7,8-dihydropteroic acid
A member of the class of pteroic acids that is 7,8-dihydropteroic acid carrying a phenolic hydroxy substituent at the position ortho to the carboxylic acid function.
6-(5-Ethyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-Ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
9-methoxy-6-(2-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-ol
[5-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-hydroxyphenyl] hydrogen sulfate
4-amino-N-[2-(4-hydroxyphenyl)pyrazol-3-yl]benzenesulfonamide
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
C11H23O9P (330.10796380000005)
Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose
ARNEBIN-3
Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. Acetylshikonin is a natural product found in Echium plantagineum, Lithospermum erythrorhizon, and other organisms with data available. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3]. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].