Exact Mass: 330.08273740000004
Exact Mass Matches: 330.08273740000004
Found 292 metabolites which its exact mass value is equals to given mass value 330.08273740000004,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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].
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].
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.
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].
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'-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.
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].
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
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)
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]
1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
8-(3-Chlorostyryl)caffeine
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.
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
4,6-dihydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-benzofuranone
1,2,7-trihydroxy-6 ,8-dimethoxy-3-methylanthraqu inone
4,5,8-trihydroxy-3,7-dimethoxyflavone|5,8,4-trihydroxy-7,3-dimethoxyflavone
6-Me ether-3-(3,4-Dihydroxybenzylidene)-5,6,7-trihydroxy-4-chromanone
7-methylcapillarisin|capillartemisin-7-methyl ether
Aflatoxin B2a
2,7-dihydroxy-3-(3-methoxy-4-hydroxy)-5-methoxyisoflavone
9,10-Anthracenedione, 1,3,5-trihydroxy-4,7-dimethoxy-2-methyl-
7,8,9-Trimethoxy-10H-1,3-dioxolo[4,5-b]xanthen-10-one
2-formyl-4,4-dihydroxy-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin K
(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
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-
3,5,6,7,8-Pentahydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
1,4,5,7-Tetrahydroxy-2-(1-hydroxypropyl)anthraquinone
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
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.
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.
(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.
5,7-Dihydroxy-8,4'-dimethoxyisoflavone
3-(1,2-Dihydroxypropyl)-1,6,8-trihydroxy-9,10-anthraquinone
7-AMINO-4-METHYL-3-COUMARINACETIC ACID N-SUCCINIMIDYL ESTER
acetic acid,4-chloro-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
C17H15ClN2O3 (330.07711500000005)
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
C17H15ClN2O3 (330.07711500000005)
[(2R,3S,5R)-3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
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
2-BROMO-6-TERT-BUTYL-4-(1,1-DIMETHOXYETHYL)ANISOLE
C15H23BrO3 (330.08304680000003)
5-HydroxyMethyl-2,3-O-isopropylidene-2-thiouridine
4-METHYL-1-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERIDINE DIHYDROCHLORIDE
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].
8-(3-Chlorostyryl)caffeine
Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
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.
4-Methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
C14H19ClN2O3S (330.08048540000004)
(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
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)
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
1,4,7-Trihydroxy-6,8-dimethoxy-2-methylanthraquinone
3,5-Dihydroxy-1,2,4-trimethoxyanthracene-9,10-dione
(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
1-(4-Hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
C12H12F6N2O2 (330.08029239999996)
2-[(4-nitrobenzyl)sulfanyl]-N-[(E)-pyridin-3-ylmethylidene]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
[5-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-hydroxyphenyl] hydrogen sulfate
4-amino-N-[2-(4-hydroxyphenyl)pyrazol-3-yl]benzenesulfonamide
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].