Exact Mass: 292.0670882
Exact Mass Matches: 292.0670882
Found 500 metabolites which its exact mass value is equals to given mass value 292.0670882,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Picrotoxinin
Picrotoxinin belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Picrotoxinin is soluble (in water) and a very weakly acidic compound (based on its pKa). D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Picrotoxinin is a picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has a role as a plant metabolite, a GABA antagonist and a serotonergic antagonist. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone and a picrotoxane sesquiterpenoid. Picrotoxinin is a natural product found in Picrodendron baccatum and Anamirta cocculus with data available. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
Edetic Acid
Edetic Acid is only found in individuals that have used or taken this drug. It is a chelating agent (chelating agents) that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. [PubChem]The pharmacologic effects of edetate calcium disodium are due to the formation of chelates with divalent and trivalent metals. A stable chelate will form with any metal that has the ability to displace calcium from the molecule, a feature shared by lead, zinc, cadmium, manganese, iron and mercury. The amounts of manganese and iron metabolized are not significant. Copper is not mobilized and mercury is unavailable for chelation because it is too tightly bound to body ligands or it is stored in inaccessible body compartments. The excretion of calcium by the body is not increased following intravenous administration of edetate calcium disodium, but the excretion of zinc is considerably increased. D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D000074385 - Food Ingredients > D005503 - Food Additives D006401 - Hematologic Agents > D000925 - Anticoagulants
Coumatetralyl
CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9425; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4993; ORIGINAL_PRECURSOR_SCAN_NO 4992 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9475; ORIGINAL_PRECURSOR_SCAN_NO 9473 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9525; ORIGINAL_PRECURSOR_SCAN_NO 9523 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4997; ORIGINAL_PRECURSOR_SCAN_NO 4994 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9510 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9466; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4985; ORIGINAL_PRECURSOR_SCAN_NO 4984 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9526; ORIGINAL_PRECURSOR_SCAN_NO 9525 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4976; ORIGINAL_PRECURSOR_SCAN_NO 4974 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4948; ORIGINAL_PRECURSOR_SCAN_NO 4946 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4987; ORIGINAL_PRECURSOR_SCAN_NO 4984 D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
2-hydroxyflutamide
2-hydroxyflutamide is a metabolite of flutamide. Flutamide is an oral nonsteroidal antiandrogen drug primarily used to treat prostate cancer. It competes with testosterone and its powerful metabolite, dihydrotestosterone (DHT) for binding to androgen receptors in the prostate gland. By doing so, it prevents them from stimulating the prostate cancer cells to grow. Flutamide has been largely replaced by a newer member of this class, bicalutamide, due to a better side-effect profile. (Wikipedia) CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4455; ORIGINAL_PRECURSOR_SCAN_NO 4452 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4545; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4476; ORIGINAL_PRECURSOR_SCAN_NO 4471 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4446; ORIGINAL_PRECURSOR_SCAN_NO 4442 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4449; ORIGINAL_PRECURSOR_SCAN_NO 4447 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
1,8-DINITROPYRENE
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens CONFIDENCE standard compound; INTERNAL_ID 35
Etrimfos
C10H17N2O4PS (292.06466120000005)
Etrimfos is an Agricultural insecticid
clofop
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites
1,3-DINITROPYRENE
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(1R,5aS,6R)-4a-Hydroxy-1,4,4a,5,5a,6,9,10a-octahydrophenazine-1,6-dicarboxylate
(S)-Angelicain
(S)-Angelicain is found in fats and oils. (S)-Angelicain is a constituent of Angelica archangelica (angelica) (S)-Angelicain is an organic heterotricyclic compound and an oxacycle. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1]. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1].
Karanjin
Karanjin is an extended flavonoid. Karanjin is a natural product found in Fordia cauliflora, Millettia pulchra, and other organisms with data available. Karanjin is an orally active furanoflavonoid which can be isolated from several Leguminosae. Karanjin exhibits evident anti-diabetic, anti-cancer, anti-inflammatory, antioxidant, anticolitis, anti-ulcer, anti-Alzheimer properties and multiple insect repellent/insecticidal, acaricide properties, suggesting the potential of Karanjin to be applied to relevant research[1]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2].
Chlorosesamone
Chlorosesamone is found in fats and oils. Chlorosesamone is a constituent of the roots of Sesamum indicum (sesame) Constituent of the roots of Sesamum indicum (sesame). Chlorosesamone is found in fats and oils.
(2S,4S)-Monatin
(2S,4S)-Monatin is a constituent of the roots of Schlerochiton ilicifolius. High intensity sweetener. Constituent of the roots of Schlerochiton ilicifolius. High intensity sweetener
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is found in herbs and spices. (all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). (all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is found in herbs and spices.
Cordeauxione
Cordeauxione is found in nuts. Cordeauxione is isolated from leaf hairs of Cordeauxia edulis (yehib Isolated from leaf hairs of Cordeauxia edulis (yehib). Cordeauxione is found in nuts.
N-gamma-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
Isolated from garlic (Allium sativum) and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-propylcysteine is found in many foods, some of which are garlic, chives, soft-necked garlic, and onion-family vegetables. N-gamma-Glutamyl-S-propylcysteine is found in chives. N-gamma-Glutamyl-S-propylcysteine is isolated from garlic (Allium sativum) and chives (Allium schoenoprasum).
trans-Grandmarin
cis-Grandmarin is found in citrus. cis-Grandmarin is a constituent of Citrus natsudaidai. Constituent of Citrus hybrids. trans-Grandmarin is found in citrus.
3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits. 3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is isolated from Musa acuminata infected with Colletotrichum musae. Isolated from Musa acuminata infected with Colletotrichum musae. 3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits.
Citreovirone
Citreovirone is a mycotoxin produced by the rice storage mould Penicillium citreo-viride. Mycotoxin production by the rice storage mould Penicillium citreo-viride.
Canavaninosuccinate
C9H16N4O7 (292.10189460000004)
Canavaninosuccinate is formed from ureidohomoserine and aspartate by a human or bovine liver extract that had high argininosuccinate synthetase (EC 6.3.4.5) activity, and the subsequent formation of guanidinosuccinate is done by reductive cleavage. In the presence of ATP the optimum pH for the synthetic reaction is 8.4. This reaction can be carried out in either a tris(hydroxymethyl)aminomethane or borate buffer. Subsequent addition of dithiothreitol in the presence of Fe2+ resulted in the cleavage of some of the synthesized canavaninosuccinate to form guanidinosuccinate and homoserine. Synthesis of canavaninosuccinate was strongly inhibited by added argininosuccinate, less so by canavaninosuccinate, arginine, canavanine, glycine, or 2,3-dimercaptopropanol. All the reactions, starting with canavaninosuccinate and down to the formation of guanidinoacetate and guanidinosuccinate have been demonstrated in human tissue ( (PMID: 241511) [HMDB]. Canavaninosuccinate is found in many foods, some of which are common grape, guava, bamboo shoots, and cabbage. Canavaninosuccinate is formed from ureidohomoserine and aspartate by a human or bovine liver extract that had high argininosuccinate synthetase (EC 6.3.4.5) activity, and the subsequent formation of guanidinosuccinate is done by reductive cleavage. In the presence of ATP the optimum pH for the synthetic reaction is 8.4. This reaction can be carried out in either a tris(hydroxymethyl)aminomethane or borate buffer. Subsequent addition of dithiothreitol in the presence of Fe2+ resulted in the cleavage of some of the synthesized canavaninosuccinate to form guanidinosuccinate and homoserine. Synthesis of canavaninosuccinate was strongly inhibited by added argininosuccinate, less so by canavaninosuccinate, arginine, canavanine, glycine, or 2,3-dimercaptopropanol. All the reactions, starting with canavaninosuccinate and down to the formation of guanidinoacetate and guanidinosuccinate have been demonstrated in human tissue ( (PMID: 241511).
2-Hydroxychlorpropamide
2-Hydroxychlorpropamide is a metabolite of Chlorpropamide. 2-hydroxychlorpropamide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
3-Hydroxychlorpropamide
3-Hydroxychlorpropamide is only found in individuals that have used or taken Chlorpropamide. 3-Hydroxychlorpropamide is a metabolite of Chlorpropamide. 3-hydroxychlorpropamide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits. 3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is isolated from Musa acuminata infected with Colletotrichum musae. Isolated from Musa acuminata infected with Colletotrichum musae. 3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits.
S-methylazathioprine
S-methylazathioprine is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia)
(+-)-(4Ar*,10R*,10aS*)-8-Chloro-1,2,3,4,10,10a-hexahydro-2-methyl-4a,10-(iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridin-12-one
(5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Karanjin
Karanjin is an orally active furanoflavonoid which can be isolated from several Leguminosae. Karanjin exhibits evident anti-diabetic, anti-cancer, anti-inflammatory, antioxidant, anticolitis, anti-ulcer, anti-Alzheimer properties and multiple insect repellent/insecticidal, acaricide properties, suggesting the potential of Karanjin to be applied to relevant research[1]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2].
1-Galactopyranosyl-5-fluorouracil
Tanshinol A
Vulgarol
Vulgarol, also known as 2,5-dihydroxy-3,6-diphenyl-1,4-benzoquinone, is a member of the class of compounds known as P-benzoquinones. P-benzoquinones are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. Vulgarol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Vulgarol can be found in mugwort, which makes vulgarol a potential biomarker for the consumption of this food product.
Brevifolincarboxylic acid
Brevifolincarboxylic acid belongs to isocoumarins and derivatives class of compounds. Those are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Brevifolincarboxylic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Brevifolincarboxylic acid can be found in pomegranate, which makes brevifolincarboxylic acid a potential biomarker for the consumption of this food product. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Brevifolincarboxylic acid
Brevifolincarboxylic acid is a natural product found in Melaleuca leucadendra, Euphorbia maculata, and other organisms with data available. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Brevifolincarboxylic
Brevifolincarboxylic acid is a natural product found in Melaleuca leucadendra, Euphorbia maculata, and other organisms with data available. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Xerulinic acid
7-Methoxy-2-phenyl-4H-furo[2,3-f][1]benzopyran-9-one
Karanjin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.329 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.324 Karanjin is an orally active furanoflavonoid which can be isolated from several Leguminosae. Karanjin exhibits evident anti-diabetic, anti-cancer, anti-inflammatory, antioxidant, anticolitis, anti-ulcer, anti-Alzheimer properties and multiple insect repellent/insecticidal, acaricide properties, suggesting the potential of Karanjin to be applied to relevant research[1]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2].
9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
N(4)-Acetylsulfadiazine
A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Climbazole
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 8183
2-({2-[Benzyl(2-cyanoethyl)amino]-2-oxoethyl}sulfanyl)acetic acid
C14H16N2O3S (292.08815860000004)
Benzyldiphenylphosphine oxide
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 13
plectranthon C|Plectranthon C ( = 3-Hydroxy-7,8-dimethyl-2-(prop-2-enyl)phenanthren-1,4-dion)|Plectranthone C
(3R,4S,4aR)-3,4,7-trihydroxy-9-methoxy-1-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one|Neoaltenuene
(3S)-2,2-dimethyl-3,5-dihydroxy-8-hydroxymethyl-3,4-dihydro-2H,6H-benzo<1,2-b:5,4-b>dipyran-6-one|(3S)-2,2-dimethyl-3,5-dihydroxy-8-hydroxymethyl-3,4-dihydro-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
3-(1-Hydroxy-1-methylethyl)-5-methoxy-2,3-dihydro-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one
(+)-7-(3-methyl-4-carboxybutanoxy)umbelliferone methyl ester
5,7-dihydroxy-2-hydroxy-methyl-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-4H-1-benzopyran-4-one
4H-Furo(2,3-h)-1-benzopyran-4-one, 2-(2-methoxyphenyl)-
2-Oxo-3-(alpha,3,4-trihydroxyphenethyl)-2H-pyran-6-carboxylic acid
5,8-dihydroxy-7-(2-hydroxypropyl)-2-methoxy-6-methylnaphthalene-1,4-dione
threo-(1Z)-(-)-5-(2,3-Dihydroxy-1-methoxy-3-phenylpropylidene)-4-methoxy-2(5H)-furanone
(Z)-6-acetyl-3-(1,2-dihydroxypropylidene)-5-hydroxy-8-methylchroman-2-one
1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-propan-1,2,3-triol
5-(3-carboxy-3-methyl-2E-allyloxy)-3-methoxy-4-methylphthalide
(2S,3aR,9aS)-3a,8,9a-trihydroxy-2,3,3-trimethyl-2,3,3a,9a-tetrahydronaphtho[2,3-b]furan-4,9-dione|chiritalone A
3-(1-Hydroxy-3-oxobutyl)-4-oxo-7-hydroxy-4H-1-benzopyran-5-carboxylic acid
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
C11H14Cl2N2O3 (292.03814339999997)
1-Oxo-2-phenyl-pent-2-en-1,3,5-tricarbonsaeure|1-oxo-2-phenyl-pent-2-ene-1,3,5-tricarboxylic acid
2-Methyl-4-oxo-8,9-dihydroxy-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-10-carboxylic acid
3,4-dihydroxy-6-methoxy-7-(3,3-dimethylallyloxy)-coumarin
4-methoxyfuran-2(5H)-one 5-O-(beta-D-glucoside)|narthesid|Nartheside A|O-beta-D-(R)-Glucopyranoside 5-Hydroxy-4-methoxy-2(5H)-furanone
(E)-4-[(1,3-dihydro-7-hydroxy-4,6-dimethyl-1-oxo-5-isobenzofuranyl)oxy]-2-methyl-2-butenoic acid|(E)-5-(3-carboxy-2-butenyloxy)-7-hydroxy-4,6-dimethylphthalide
1-Alcohol,Me ester-Aipha-Oxo-5-(1-propynyl)[2,2-bithiophene]-5-acetic acid
(+)-fatouain C|(+)-threo-6-(1,2-dihydroxy-3-methylbut-3-enyl)-8-hydroxy-7-methoxy-[2H]-chromen-2-one
3-Hydroxy-1,4-diphenyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
2,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthoquinone|6-Me ether-2,5,6,8-Tetrahydroxy-3-(2-oxopropyl)-1,4-naphthoquinone
8-(1,2-dihydroxy-1-methylethyl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one|hedyotiscone C
2-acetoxy-4-[2,2]bithiophenyl-5-yl-but-3-yn-1-ol|5-(3-acetoxy-4-hydroxy-1-butynyl)-2,2-bithiophene|5-(4-Hydroxy-3-acetoxybutin-1-yl)-bithienyl-2,2
2-(trans-1,4-dihydroxycyclohexyl)-5,7-dihydroxychromone
3,7,10a-trimethoxy-1,4,4a,10a-tetrahydrodibenzo-p-dioxin-1-one
(2beta,4alpha,5beta,6alpha,8alpha)-4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradiene-12,8:14,2-diolide
(1E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
2-(trans-1,4-Dihydroxy-cyclohexyl)-5,7-dihydroxy-chromone
2-(1,4-Dihydroxycyclohexyl)-5,7-dihydroxychromen-4-one is a natural product found in Macrothelypteris torresiana with data available.
N4-Acetylsulfadiazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 248 CONFIDENCE standard compound; INTERNAL_ID 2013
Climbazol
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2364 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2739
Picrotoxinin
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists relative retention time with respect to 9-anthracene Carboxylic Acid is 0.577 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.570 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.573 Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-2-methyl-2H-furan-5-one
5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one
C15H16O6_(2S,3S,4aS)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one
C15H16O6_6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl
methyl (1S,4S,8R,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one
4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-2-methyl-2H-furan-5-one
Altenuene
A benzochromenone mycotoxin isolated from the fungus Allernaria tenuis. CONFIDENCE Reference Standard (Level 1)
COUMATETRALYL
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848722]
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one [IIN-based: Match]
4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-2-methyl-2H-furan-5-one_major
methyl (1S,4S,8R,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹?.0?,¹?]tetradeca-2,5-diene-5-carboxylate
4-Chloro-N-[(2-hydroxypropyl)carbamoyl]benzenesulfonamide
3-(2-chloro-10H-phenothiazin-10-yl)propan-1-amine
C15H13D2ClN2S (292.07699635600005)
NSC 652287
RITA is an inhibitor of p53-HDM-2 interaction, binds to p53dN, with a Kd of 1.5 nM, and also induces DNA-DNA cross-links.
Angelicain
Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1]. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1].
trans-Grandmarin
N-g-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
4-(2-METHOXY-BENZENESULFONYL)-PIPERAZINE HYDROCHLORIDE
C11H17ClN2O3S (292.06483620000006)
beta-Alanine, N-(2-aminoethyl)-N-[2-(2-carboxyethoxy)ethyl]-, N-coco acyl derivs., disodium salts
2-(chloromethyl)oxirane,2-[(2-hydroxyphenyl)methyl]phenol
4-Thiazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-
C14H16N2OS2 (292.07040059999997)
2,5-Cyclohexadiene-1,4-dione,1-[2-(2,4-dinitrophenyl)hydrazone]
C12H12N4O5 (292.08076619999997)
2-ETHOXY-5-(3-METHYL-UREIDO)-BENZENESULFONYL CHLORIDE
2-(3-METHYL-4-NITRO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
ETHYL 1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLATE
N-tert-Butoxycarbonyl-S-acetamidomethyl-D-cysteine
C11H20N2O5S (292.10928700000005)
5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
C11H8ClF3N2O2 (292.02263739999995)
3-ALLYL-2-MERCAPTO-7-METHYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
C14H16N2OS2 (292.07040059999997)
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
3-CHLORO-3,5-DIMETHOXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2-(chloromethyl)oxirane,N,N-dimethylpropane-1,3-diamine,sulfuric acid
4-(N-Ethyl-N-2-hydroxyethyl)-2-methylphenylenediamine sulfate
C11H20N2O5S (292.10928700000005)
1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid,dihydrochloride
2-CHLORO-N-(5-CYCLOBUTYL-[1,3,4]THIADIAZOL-2-YL)-ACETAMIDE
5-bromo-3-((1-Methylpyrrolidin-2-yl)Methyl)-1H-indole
8-(1-butoxyethenyl)-7-chloro-2-methoxy-1,5-naphthyridine
Phosphoric acid,(1-methylethyl)phenyl diphenyl ester
O,O-diethyl O-[4-(methylthio)phenyl] thiophosphate
tert-Butyl 4-(2-bromoethyl)piperazine-1-carboxylate
4-((4-Isopropoxyphenyl)sulfonyl)phenol
C15H16O4S (292.07692560000004)
2-(2-Amino-phenylsulfanyl)-N-(2-chloro-phenyl)-acetamide
C14H13ClN2OS (292.04370780000005)
TRI(2-METHOXYCARBONYLETHYL)PHOSPHINE
C12H21O6P (292.10756960000003)
2-Hydroxy-2-phenylethyl 4-methylbenzenesulfonate
C15H16O4S (292.07692560000004)
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
C14H16N2O3S (292.08815860000004)
3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
1-(AMINOMETHYL)-3,4-DIHYDRO-6,7-DIMETHOXY-ISOQUINOLINE DIHYDROCHLORIDE
Ethyl 2-[(4-methoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
C14H16N2O3S (292.08815860000004)
((4-((4-FLUOROPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIMETHYLSILANE
(4-(BENZYLOXY)-3-CHLORO-5-METHOXYPHENYL)BORONIC ACID
C14H14BClO4 (292.06736240000004)
Monastrol
C14H16N2O3S (292.08815860000004)
D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators D004791 - Enzyme Inhibitors
3-THIOPHENECARBOXYLIC ACID-5-METHYL-2-{2-(NITROPHENYL)AMINO}METHYL ESTER
(R)-5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
ETHYL 5-CHLORO-2-METHYL-4-SULFAMOYLPHENYLCARBAMATE
Ethyl {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate
Ethyl 4-hydroxy-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
(2,3,4,5,6-pentafluorophenyl) 2-methylpyrazole-3-carboxylate
1-ETHYL-2-METHYL-5-[(TRIFLUOROMETHYL)SULFONYL]-1H-BENZIMIDAZOLE
Carbamic acid, N-[(6-hydroxybenzo[b]thien-2-yl)iminomethyl]-, 1,1-dimethylethyl ester
C14H16N2O3S (292.08815860000004)
2-(4-AMINO-3-CHLORO-PHENYL)-4-CHLORO-3H-BENZOIMIDAZOL-5-YLAMINE
ETHYL 5-CYANAMIDE-4-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
alpha-N-Dichloroacetyl-P-aminophenylserinol
C11H14Cl2N2O3 (292.03814339999997)
dimethyl 3-(4-chlorophenoxy)-2-oxopropylphosphonate
ethyl 2-[(1-chloro-3,4-dihydronaphthalen-2-yl)-hydroxymethyl]prop-2-enoate
Dimethyl [3-(3-chlorophenoxy)-2-oxopropyl]phosphonate
Tetraethylphosphonium hexafluorophosphate
C8H20F6P2 (292.09443719999996)
3-AMINO-5-(3-NITRO-PHENYL)-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
3-Fluoro-4-(4-methoxybenzylthio)phenylboronic acid
C14H14BFO3S (292.07406960000003)
N-(2-CHLORO-3-PHENYLIMINO-1-PROPEN-1-YL)-ANILINE HYDROCHLORIDE
Ethyl 5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,4-oxadiazole -3-carboxylate
Pyrimido[1,2-a]benzimidazol-4-amine, N-(3-fluorophenyl)-2-methyl- (9CI)
3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]propanoic acid
guaneran
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite
6-(cyclopentylamino)-5-nitro-2-(trifluoromethyl)-1H-pyrimidin-4-one
5-tert-butylsulfonyl-2-pyridin-4-ylpyrimidin-4-amine
BENZYL 4-(AMINOMETHYL)PHENYL CARBAMATE HYDROCHLORIDE
2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
7-Amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Ethyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate
1-Benzyl-3-methoxy-piperidin-4-ylamine dihydrochloride
7,8,10,11,13,14-Hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4(3H)-one
5-[(DIMETHYLAMINO)METHYL]-3-(1-METHYL-1H-INDOL-3-YL)-1,2,4-OXADIAZOLEHCL
ethyl 6-chloro-2-(trifluoroMethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
C11H8ClF3N2O2 (292.02263739999995)
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid
C14H17BO6 (292.11181320000003)
TRIETHYLSILYL 2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETATE
methyl 3-amino-5-(benzylamino)-6-chloropyrazine-2-carboxylate
5-(3-Borono-2,4,6-trifluorophenoxy)pentanoic acid
C11H12BF3O5 (292.07298480000003)
(2-(TRIETHYLSILYL)BENZO[B]THIOPHEN-7-YL)BORONIC ACID
C14H21BO2SSi (292.11245160000004)
2,2-Bithiophene-5-boronic Acid Pinacol Ester
C14H17BO2S2 (292.07629720000006)
5,6-Dihydro-5-oxoindolo[1,2-a]quinazoline-7-acetic acid
diethoxyphosphorylmethylsulfonylbenzene
C11H17O5PS (292.05342820000004)
(2-morpholin-4-ylsulfonylphenyl)methanamine,hydrochloride
C11H17ClN2O3S (292.06483620000006)
(S)-(+)-1-PHENYL-1,2-ETHANEDIOL 2-TOSYLATE
C15H16O4S (292.07692560000004)
4-[2-(methylaminomethyl)phenoxy]benzenesulfonamide
C14H16N2O3S (292.08815860000004)
5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
C16H9FN4O (292.07603559999995)
Tolbutamide Sodium
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
N-((4-Aminophenyl)sulfonyl)-N-(pyrimidin-2-yl)acetamide
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-(3-pyridinyl)-, (5R,6S)-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
C16H12N4S (292.07826320000004)
4-Sulfanilamidobenzoic acid
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
3-amino-6-chloro-5-(dimethylamino)-N-(pyridin-3-yl)pyrazine-2-carboxamide
(3,5-Dichloro-2,4,6-trihydroxyphenyl)hexan-1-one
An aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by chlorines while the third has been replaced by a hexanoyl group. It is the immediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1). DIF-1 is released by developing Dictyostelium amoebae, inducing them to differentiate into stalk cells.
2-chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
3-(4-methylphenyl)-1H-benzofuro[3,2-d]pyrimidine-2,4-dione
1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
A differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells.
2-chloro-1-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one
(4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid
2-[7-(Carboxymethoxy)-4-methyl-2-oxo-1-benzopyran-3-yl]acetic acid
(S)-Monastrol
C14H16N2O3S (292.08815860000004)
D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators D004791 - Enzyme Inhibitors
1-({2-[2-(4-Chlorophenyl)ethyl]-1,3-Dioxolan-2-Yl}methyl)-1h-Imidazole
4-[4-(2,5-Dioxo-pyrrolidin-1-YL)-phenylamino]-4-hydroxy-butyric acid
6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2R,3R,4aR)-rel-
7-methyl-N-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrimidin-5-amine
2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose
2-[2-(1,3-Dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
C14H16N2O3S (292.08815860000004)
4-[(4E,6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]cyclohexa-3,5-diene-1,2-dione
3,5,8-Trihydroxy-2-(2-oxopropyl)-7-methoxynaphthalene-1,4-dione
2-[[amino-[[(3S)-3-amino-3-carboxypropoxy]amino]methylidene]amino]butanedioic acid
C9H16N4O7 (292.10189460000004)
(1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
RITA (NSC 652287)
RITA is an inhibitor of p53-HDM-2 interaction, binds to p53dN, with a Kd of 1.5 nM, and also induces DNA-DNA cross-links.
(2E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-2,4,6-trien-1-one
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
C14H16N2O3S (292.08815860000004)
4-(1-Imidazolyl)-3,5-dinitrobenzoic acid methyl ester
1-[(1,3-Benzothiazol-2-ylthio)methyl]-2-azepanone
C14H16N2OS2 (292.07040059999997)
(S)-climbazole
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
azanigerone F
An azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and acetoxy substituents at position 7.
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide
C14H16N2O3S (292.08815860000004)
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one
1-[2-(2-Chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene
4-[[(2,4-Difluoroanilino)-oxomethyl]amino]benzoic acid
C14H10F2N2O3 (292.06594540000003)
2-[(4-Chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
C14H13ClN2OS (292.04370780000005)
6-Chloro-2-[N-(2-nitro-benzylidene)-hydrazino]-pyrimidin-4-ylamine
6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4-thiane]carbonitrile
N-(3,4-Dimethoxybenzylidene)-3-(ethylthio)-4H-1,2,4-triazol-4-amine
1-(3,5-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol
3-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
C14H16N2O3S (292.08815860000004)
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide
1-(4-Chlorophenyl)sulfonyl-3-(3-hydroxypropyl)urea
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
Methyl 2-hydroxy-3-(4-hydroxy-3-sulooxyphenyl)propanoate
C10H12O8S (292.02528720000004)
2-Hydroxy-3-(4-methoxy-3-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
3-(3-Hydroxy-5-methoxy-4-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
2-[2-(6-Hydroxy-1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)ethyl]-5-hydroxy-4-methoxy-2,3-dihydropyran-6-one
(1,3-Diphenylpropoxy)sulfonic acid
C15H16O4S (292.07692560000004)
2-Hydroxy-3-(3-methoxy-4-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
Methyl 3-(3,4-dihydroxyphenyl)-2-sulooxypropanoate
C10H12O8S (292.02528720000004)
6-[(E)-3-carboxy-2-methylprop-2-enoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-[2-(1,3-Benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one
2-(2-Hydroxy-4-methoxy-3-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
Methyl 2-(N-((4S,5R)-4-methyl-5-phenyl-2-oxazolidinone-3-carbamoyl))aminoacetate
Picrotoxinin
Picrotoxinin is a picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has a role as a plant metabolite, a GABA antagonist and a serotonergic antagonist. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone and a picrotoxane sesquiterpenoid. Picrotoxinin is a natural product found in Picrodendron baccatum and Anamirta cocculus with data available. A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
Edetic Acid
D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D000074385 - Food Ingredients > D005503 - Food Additives D006401 - Hematologic Agents > D000925 - Anticoagulants
4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
N-gamma-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
1,7-bis-(4-hydroxyphenyl)-2,4,6-heptatrienone
An enone that consists of 7-oxohepta-1,3,5-triene-1,7-diyl moiety substituted by a 4-hydroxyphenyl substituent at C-1 and at C-7. It is isolated from the rhizomes of Etlingera elatior and has been found to inhibit lipid peroxidation.
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one
A diarylheptanoid that is 1,4,6-heptatrien-3-one substituted by 4-hydroxypheny group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma domestica and Etlingera elatior.
3'-Azido-3'-deoxyadenosine
3'-Azido-3'-deoxyadenosine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1]. 3'-Azido-3'-deoxyadenosine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Carnostatine (hydrochloride)
Carnostatine hydrochloride (SAN9812 hydrochloride) is a potent and selective carnosinase 1 (CN1) inhibitor with a Ki of 11 nM for human recombinant CN1. Carnostatine hydrochloride can be used for the treatment of diabetic nephropathy (DN)[1].
Cysteinylglycine (TFA)
Cysteinylglycine TFA is an endogenous metabolite and used in disease diagnosis[1].
PU02
C16H12N4S (292.07826320000004)
PU02, a derivative of 6-MP (HY-13677), is a negative allosteric modulator (NAM) of 5-HT3 receptor, with IC50 values of 0.36 and 0.73 μM in HEK293 cells transfected with human 5-HT3A and 5-HT3AB receptors respectively[1][2].