Exact Mass: 330.0739494
Exact Mass Matches: 330.0739494
Found 500 metabolites which its exact mass value is equals to given mass value 330.0739494,
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.
N-(3-(Trifluoromethyl)phenyl)-N'-(2-hydroxy-5-chlorophenyl)urea
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.
Aluminium acetoacetate
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02A - Antacids > A02AB - Aluminium compounds
(+)-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.
almecillin
A penicillin where the side-chain N-acyl group is specified as allylmercaptoacetyl. Antibiotic isolated from Penicillium chrysogenum. C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
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
2,3-Di-O-methylellagic acid
2,3-Di-O-methylellagic acid is found in fats and oils. 2,3-Di-O-methylellagic acid is a constituent of the Chinese tallowtree (Sapium sebiferum). Constituent of the Chinese tallowtree (Sapium sebiferum). 2,3-Dimethylellagic acid is found in fats and oils.
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)
Blighinone
Blighinone is found in fruits. Quinone from the fruit pulp of Blighia sapida (akee apple
2,8-Di-O-methylellagic acid
2,8-Di-O-methylellagic acid is found in fruits. 2,8-Di-O-methylellagic acid is a constituent of the Java plum (Eugenia jambolana). Constituent of the Java plum (Eugenia jambolana). 2,8-Dimethylellagic acid 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]
5-Hydroxydantrolene
5-Hydroxydantrolene is a metabolite of dantrolene. Dantrolene sodium is a muscle relaxant that acts by abolishing excitation-contraction coupling in muscle cells, probably by action on the ryanodine receptor. It is the only specific and effective treatment for malignant hyperthermia, a rare, life-threatening disorder triggered by general anesthesia. (Wikipedia)
6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(2-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(2-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(3-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(3-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,5-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(3-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(3-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,3-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(2-carboxy-6-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(2-carboxy-6-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,3-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(3-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(3-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,5-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(2-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(2-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,5-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Hydroxytyrosol 3'-glucuronide
Hydroxytyrosol 4'-glucuronide
1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
5-Hydroxy Dantrolene
8-(3-Chlorostyryl)caffeine
Almecillin
Pirazolac
C17H12ClFN2O2 (330.05712939999995)
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.
Oprea1_264874
3,3-Di-O-methylellagic acid is a natural product found in Kunzea ambigua, Lagerstroemia speciosa, and other organisms with data available.
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-Methoxypeltogynone
5-Methoxymopanone
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
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
1,2,7-trihydroxy-6 ,8-dimethoxy-3-methylanthraqu inone
(+)-(6S,8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro<5.5>undec-3-en-2-one|(+)-(6S,8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-one|(8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro<5.5>undec-3-en-2-one|(8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-one
C15H20BrClO (330.03859600000004)
4,5,8-trihydroxy-3,7-dimethoxyflavone|5,8,4-trihydroxy-7,3-dimethoxyflavone
Hurgadenyne|Hurgadenyne (rel.(1S,3R,4S)-4-(1-bromonona-3,6-cis,cis-dien-8-ynyl)-2-chloro-3-ethyl-1,2,3,4-tetrahydrofuran)|Hurgadenyne [rel.(1S,3R,4S)-4-(1-bromonona-3,6-cis,cis-dien-8-ynyl)-2-chloro-3-ethyl-1,2,3,4-tetrahydrofuran]
C15H20BrClO (330.03859600000004)
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
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-
2,2-Dimethoxy-3,3-dihydroxy-5,5-oxygen-6,6-biphenylformic anhydride
7,8,9-Trimethoxy-10H-1,3-dioxolo[4,5-b]xanthen-10-one
3,4-dihydroxybenzoic acid 4-O-(4-O-methyl)-beta-D-glucopyranoside
2-formyl-4,4-dihydroxy-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin K
3-(beta-D-glucopyranosyloxy)-4-methoxybenzoic acid|3-hydroxy-4-methoxybenzoic acid 3-O-beta-D-glucopyranoside
(3R,4S)-3-acetyl-5,7-dihydroxy-4-(3,4-dihydroxyphenyl)-3,4-dihydroisocoumarin|phayomphenol B1
COC1=CC(OC)=C2C(=O)C(=COC2=C1)C1=CC(O)=C(O)C(O)=C1
4,8-Dihydroxy-6-(2-hydroxyethyl)-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one|loasin A
C1=CC(OC)=CC=C1CCC1=CC(=O)C2=CC(O)=CC(Cl)=C2O1
C18H15ClO4 (330.06588200000004)
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-
1-Methyl-3,6,7,8-tetrahydroxy-anthrachinon-2-carbonsaeure (Ceroalbolinsaeure)|Ceroalbolinsaeure
methyl 4-(beta-D-glucopyranosyloxy)-3-hydroxybenzoate
3,5,6,7,8-Pentahydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
1,4,5,7-Tetrahydroxy-2-(1-hydroxypropyl)anthraquinone
2,4,6-trihydroxy-3-methylbenzaldehyde 2-O-beta-D-glucopyranoside|eucalmainoside C|eucalmanioside C
7-Me ether-3-(3,4-Dihydroxybenzylidene)-5,7,8-trihydroxy-4-chromanone
1,2-Dimethoxy-3,5,8-trihydroxy-6-methyl-9,10-anthraquinone
3,4,10-trihydroxy-8-methoxy-6,12-dioxab enz[a)anthracen-7(5h,6h,12ah)-one
1,5,7-Trihydroxy-2-methyl-4,6-dimethoxyanthracene-9,10-dione
3-(EC-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
1-(3-O-beta-D-glucopyranosyl-4,5-dihydroxyphenyl)-ethanone|1-(3-O-??-D-Glucopyranosyl-4,5-dihydroxyphenyl)-ethanone
O=C1C(C=CC=CC(C)=O)=C(O)C(=O)C2=C(O)C(OC)=CC(O)=C21
NCI60_032209
Desmethoxycentaureidin is a natural product found in Centaurea bracteata, Centaurea cineraria, and other organisms with data available.
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].
Myrciaphenone A
Myrciaphenone A is a natural product found in Curcuma comosa, Leontodon tuberosus, and Myrcia multiflora with data available.
3,3-Dimethylquercetin
3,3-dimethylquercetin is a dimethoxyflavone that is quercetin in which the hydroxy groups at position 3 and 3 have been replaced by methoxy groups. It has been isolated from several plant species and exhibits anti-bacterial and anti-cancer properties. It has a role as a plant metabolite, an antibacterial agent, an antineoplastic agent and an apoptosis inducer. It is a trihydroxyflavone, a dimethoxyflavone and a member of 3-methoxyflavones. It is functionally related to a quercetin. Quercetin 3,3-dimethyl ether is a natural product found in Psiadia viscosa, Cleome amblyocarpa, and other organisms with data available. A dimethoxyflavone that is quercetin in which the hydroxy groups at position 3 and 3 have been replaced by methoxy groups. It has been isolated from several plant species and exhibits anti-bacterial and anti-cancer properties.
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
Aflatoxin G2
Aflatoxin G2 is a natural product found in Aspergillus nomiae, Glycyrrhiza uralensis, and other organisms, and is a very light and fluffy crystalline solid. Exhibits green-blue fluorescence. (NTP, 1992) National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
C14H18O9_Ethanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]
C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid
(2Z)-4,6-dihydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
3-(1,2-dihydroxypropyl)-1,6,8-trihydroxyanthracene-9,10-dione
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxy-4H-chromen-4-one
AFLATOXIN M2
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone
pilosin
A dimethoxyflavone that is flavone carrying hydroxy groups at positions 5, 7, and 8, and methoxy groups at positions 4 and 6.
2-((1-Methylpropyl)amino)ethanol
2,3-Di-O-methylellagic acid
2,8-Di-O-methylellagic acid
5,7-Dihydroxy-8,4'-dimethoxyisoflavone
3-(1,2-Dihydroxypropyl)-1,6,8-trihydroxy-9,10-anthraquinone
METHYL 1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
C16H14N2O4S (330.06742440000005)
methyl 1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine-2-carboxylate
C16H14N2O4S (330.06742440000005)
7-AMINO-4-METHYL-3-COUMARINACETIC ACID N-SUCCINIMIDYL ESTER
3-allyl-5-(4-methoxyphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3h)-one
4-[(2-chloro-5-(trifluoromethyl)phenoxy)methyl]phenylboronic acid
3-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenylboronic acid
3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one
tris(trimethylsiloxy)chlorosilane
C9H27ClO3Si4 (330.07257419999996)
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)
N-[1-(2-HYDROXY-2-PHENYL-ETHYL)-PIPERIDIN-4-YL]-N-PHENYL-PROPIONAMIDE
1-(3-Chlorobenzyl)-1,2,3,4-tetrahydroquinoxaline
C15H17Cl3N2 (330.04572520000005)
4-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
C15H17Cl3N2 (330.04572520000005)
ETHYL 1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
C16H14N2O4S (330.06742440000005)
sodium,[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] sulfate
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)
Triethoxy(pentafluorophenyl)silane
C12H15F5O3Si (330.07105799999994)
[(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)
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
C16H14N2O4S (330.06742440000005)
1-(3,4-DIMETHYLPHENYL)-3-METHYL-3-PYRAZOLIN-5-ONE
C15H8F6N2 (330.05916399999995)
calcium,5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
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
ETHYL 6,6-DIMETHYL-3-(METHYLSULFONYL)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
ethyl 3-[1-(3-chlorophenyl)-2-ethoxy-2-oxoethyl]sulfanylpropanoate
C15H19ClO4S (330.06925240000004)
2-BENZYLAMINO-5-TRIFLUOROMETHYL-BENZENESULFONAMIDE
Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
C15H17Cl3N2 (330.04572520000005)
ETHYL 5-METHYL-8-NITRO-6-OXO-5,6-DIHYDRO-4H-BENZO[F]IMIDAZO[1,5-A][1,4]DIAZEPINE-3-CARBOXYLATE
2-(4-Bromo-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Pirazolac
C17H12ClFN2O2 (330.05712939999995)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
6-Chloro-5-(2-methoxyphenoxy)-2,2-bipyrimidin-4(5H)-one
ethyl 3-[1-(2-chlorophenyl)-2-ethoxy-2-oxoethyl]sulfanylpropanoate
C15H19ClO4S (330.06925240000004)
(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)
((2-bromo-5-methoxybenzyl)oxy)(tert-butyl)dimethylsilane
3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
5-HydroxyMethyl-2,3-O-isopropylidene-2-thiouridine
2-(6-BROMO-2-FLUORO-3-METHOXYPHENYL)-1,3,2-DIOXABOROLANE
4-METHYL-1-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERIDINE DIHYDROCHLORIDE
(2-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenyl)boronic acid
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].
Kermesic Acid
A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by methyl and carboxy groups at positions 1 and 2 respectively. It is a natural dye isolated from the insect species Kermes ilices.
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.
cyathusal A
An organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 9 and 10, methoxy group at position 8, oxo group at position 1 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities.
But-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
Methyl 2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
C16H14N2O4S (330.06742440000005)
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)
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)
1-[(2-Chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamide
5-methoxy-N-methyl-2-[2-(methylcarbamoyl)phenyl]sulanylbenzamide
(R)-3-(3-Oxo-1-phenylbutyl)-4-sodiooxy-2H-1-benzopyran-2-one
C19H15NaO4 (330.08679900000004)
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
(3r)-3-(Fluoromethyl)-7-(Thiomorpholin-4-Ylsulfonyl)-1,2,3,4-Tetrahydroisoquinoline
6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one
C17H12ClFN2O2 (330.05712939999995)
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-(Butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
C11H23O9P (330.10796380000005)
CHEBI:37386
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].
5-(benzylsulfonyl)-1-(3-methoxyphenyl)-1H-tetrazole
3,5-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
1,4,7-Trihydroxy-6,8-dimethoxy-2-methylanthraquinone
3,5-Dihydroxy-1,2,4-trimethoxyanthracene-9,10-dione
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxypropanoate
(3R)-5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
2-(3,4-Dihydroxy-5-methoxyphenyl)-3-hydroxy-5-methoxychromen-7-one
4-[(4-chlorobenzyl)amino]-3-nitro-2H-chromen-2-one
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
3-amino-4,6-dimethyl-N-(2-thienylmethylene)thieno[2,3-b]pyridine-2-carbohydrazide
N-[4-(6-chloro-5-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester
N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
1-(4-Hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
C12H12F6N2O2 (330.08029239999996)
N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
4-phenyl-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
2-[(4-nitrobenzyl)sulfanyl]-N-[(E)-pyridin-3-ylmethylidene]acetohydrazide
5-[(4,7-dihydroxy-2-oxochromen-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid
C15H10N2O7 (330.04879900000003)
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)
methyl 2-[(3S)-9,10-dihydroxy-7-methoxy-1-oxo-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate
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-(2-Formyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
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
[5-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-hydroxyphenyl] hydrogen sulfate
4-amino-N-[2-(4-hydroxyphenyl)pyrazol-3-yl]benzenesulfonamide
[2-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropyl] acetate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
C11H23O9P (330.10796380000005)
Phosphoric acid bis(2-acetoxy-3-hydroxypropyl) ester
Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose
4-[(3,3-Dimethoxy-4,7-dioxo-1,5-cycloheptadienyl)methyl]cyclohepta-3,6-diene-1,2,5-trione
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].
3,4-Dihydroxybenzoic acid 3-O-beta-D-glucuronide
C13H14O10 (330.05869440000004)
6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
6-(3-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H14O10 (330.05869440000004)
cacibiocin A
C15H10N2O7 (330.04879900000003)
An aminocoumarin resulting from the formal condensation of one of the carboxy groups of pyrrole-2,5-dicarboxylic acid with the amino group of 3-amino-4,7-dihydroxycoumarin. It is a natural product isolated from Catenulispora acidiphila that doesnt exhibit an antimicrobial activity contrary to most aminocoumarins.