Exact Mass: 292.0769
Exact Mass Matches: 292.0769
Found 500 metabolites which its exact mass value is equals to given mass value 292.0769,
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
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
Etrimfos
Etrimfos is an Agricultural insecticid
clofop
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites
(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.
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.
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.
Canavaninosuccinate
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).
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.
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
Benzyldiphenylphosphine oxide
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 13
(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
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
(+)-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-(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
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
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
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
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
4-(2-METHOXY-BENZENESULFONYL)-PIPERAZINE HYDROCHLORIDE
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-
2,5-Cyclohexadiene-1,4-dione,1-[2-(2,4-dinitrophenyl)hydrazone]
2-(3-METHYL-4-NITRO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
ETHYL 1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLATE
5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
3-ALLYL-2-MERCAPTO-7-METHYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
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
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
tert-Butyl 4-(2-bromoethyl)piperazine-1-carboxylate
1-(AMINOMETHYL)-3,4-DIHYDRO-6,7-DIMETHOXY-ISOQUINOLINE DIHYDROCHLORIDE
Ethyl 2-[(4-methoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
(4-(BENZYLOXY)-3-CHLORO-5-METHOXYPHENYL)BORONIC ACID
Monastrol
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 {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate
Carbamic acid, N-[(6-hydroxybenzo[b]thien-2-yl)iminomethyl]-, 1,1-dimethylethyl ester
ethyl 2-[(1-chloro-3,4-dihydronaphthalen-2-yl)-hydroxymethyl]prop-2-enoate
3-AMINO-5-(3-NITRO-PHENYL)-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
3-Fluoro-4-(4-methoxybenzylthio)phenylboronic acid
N-(2-CHLORO-3-PHENYLIMINO-1-PROPEN-1-YL)-ANILINE HYDROCHLORIDE
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
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
methyl 3-amino-5-(benzylamino)-6-chloropyrazine-2-carboxylate
5,6-Dihydro-5-oxoindolo[1,2-a]quinazoline-7-acetic acid
(2-morpholin-4-ylsulfonylphenyl)methanamine,hydrochloride
4-[2-(methylaminomethyl)phenoxy]benzenesulfonamide
5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
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
4-Sulfanilamidobenzoic acid
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
3-amino-6-chloro-5-(dimethylamino)-N-(pyridin-3-yl)pyrazine-2-carboxamide
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
2-chloro-1-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one
2-[7-(Carboxymethoxy)-4-methyl-2-oxo-1-benzopyran-3-yl]acetic acid
(S)-Monastrol
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
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
3,5,8-Trihydroxy-2-(2-oxopropyl)-7-methoxynaphthalene-1,4-dione
2-[[amino-[[(3S)-3-amino-3-carboxypropoxy]amino]methylidene]amino]butanedioic acid
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
(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
1-[2-(2-Chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene
4-[[(2,4-Difluoroanilino)-oxomethyl]amino]benzoic acid
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
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide
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
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
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
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].
3-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)-2-methylpropanoic acid
(2r,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2h,3h,4h-benzo[c]chromen-6-one
4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one
6-(hydroxymethyl)-1-methylphenanthro[1,2-b]furan-10,11-dione
methyl (2e)-7-[(e)-benzoyloxy]-6-hydroxy-4-oxohept-2-enoate
(1r,2r,6s,7z,9s,11s)-9,11-dihydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
(4e)-7-methoxy-4-(phenylmethylidene)-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8,11-tetraen-5-one
4-{n-acetyl-n-[(1r)-1-carboxy-2-sulfanylethyl]-(c-hydroxycarbonimidoyl)amino}butanoic acid
4-hydroxy-6-methoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-3,5,7-trien-13-one
(1r,9r,12s)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-8-one
6-hydroxy-2-methyl-3-methylidene-10a-(methylsulfanyl)-5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-2-(hydroxymethyl)chromen-4-one
1,8,9a-trihydroxy-3,4a-dimethyl-2,3-dihydro-1h-xanthene-4,9-dione
2,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)naphthalene-1,4-dione
5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2-(hydroxymethyl)chromen-4-one
3-ethyl-5-hydroxy-2,6,7-trimethoxynaphthalene-1,4-dione
methyl (1s,4as,7s,7ar)-4'-ethyl-1-hydroxy-5'-oxo-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
(1r,5s)-3-oxa-12,20-diazapentacyclo[10.8.0.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁹]icosa-6,8,10,14,16,18-hexaene-4,13-dione
(2e,4e)-5-[(3r,6r,7r)-6,7-dihydroxy-7-methyl-8-oxo-4,6-dihydro-3h-2-benzopyran-3-yl]penta-2,4-dienoic acid
6-acetyl-2,5,8-trihydroxy-3-methoxy-7-methylnaphthalene-1,4-dione
6-acetyl-3,5,8-trihydroxy-2-methoxy-7-methylnaphthalene-1,4-dione
(1r,2r)-2-hydroxy-2-[(2r,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
2-chloro-5,8-dihydroxy-3-prenyl-1,4-naphthoquinone
{"Ingredient_id": "HBIN005456","Ingredient_name": "2-chloro-5,8-dihydroxy-3-prenyl-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C15H13ClO4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8672","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetyl goniofufurone
{"Ingredient_id": "HBIN013611","Ingredient_name": "8-acetyl goniofufurone","Alias": "NA","Ingredient_formula": "C15H16O6","Ingredient_Smile": "CC(=O)OC(C1C(C2C(O1)CC(=O)O2)O)C3=CC=CC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-acetylgoniotriol
{"Ingredient_id": "HBIN013841","Ingredient_name": "8-o-acetylgoniotriol","Alias": "NA","Ingredient_formula": "C15H16O6","Ingredient_Smile": "CC(=O)OC(C1=CC=CC=C1)C(C2C(C=CC(=O)O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "405","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
allamdin
{"Ingredient_id": "HBIN015191","Ingredient_name": "allamdin","Alias": "NA","Ingredient_formula": "C15H16O6","Ingredient_Smile": "CCC1=CC2(C=CC3C2C(OC=C3C(=O)OC)O)OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "915","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
