Exact Mass: 236.06602519999998
Exact Mass Matches: 236.06602519999998
Found 500 metabolites which its exact mass value is equals to given mass value 236.06602519999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amalorin
Amalorin is an organic heterotetracyclic compound and an alkaloid. 11-Hydroxycanthin-6-one is a natural product found in Brucea javanica, Amaroria soulameoides, and other organisms with data available.
5,6,7-Trimethoxycoumarin
A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.
L-Formylkynurenine
C11H12N2O4 (236.07970319999998)
This compound belongs to the family of Butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
Buturon
CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8604; ORIGINAL_PRECURSOR_SCAN_NO 8601 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8543; ORIGINAL_PRECURSOR_SCAN_NO 8540 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3999; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8571 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8609; ORIGINAL_PRECURSOR_SCAN_NO 8604 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8607; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4014; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4010; ORIGINAL_PRECURSOR_SCAN_NO 4007 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4033
8-Dehydro-3-deoxy-D-manno-octulosonate
N'-Formylkynurenine
C11H12N2O4 (236.07970319999998)
Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals. [HMDB] Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals.
Austdiol
Austdiol is a toxic metabolite of the food storage mould Aspergillus ustu
Zileuton
Leukotrienes are substances that induce numerous biological effects including augmentation of neutrophil and eosinophil migration, neutrophil and monocyte aggregation, leukocyte adhesion, increased capillary permeability, and smooth muscle contraction. These effects contribute to inflammation, edema, mucus secretion, and bronchoconstriction in the airways of asthmatic patients. Zileuton relieves such symptoms through its selective inhibition of 5-lipoxygenase, the enzyme that catalyzes the formation of leukotrienes from arachidonic acid. Specifically, it inhibits leukotriene LTB4, LTC4, LTD4, and LTE4 formation. Both the R(+) and S(-) enantiomers are pharmacologically active as 5-lipoxygenase inhibitors in in vitro systems. D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
Dillapional
Minor constituent of Anethum sowa (Indian dill) oil. Dillapional is found in dill and herbs and spices. Dillapional is found in dill. Dillapional is a minor constituent of Anethum sowa (Indian dill) oi
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables. (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is a constituent of Rheum sp. (rhubarb). Constituent of Rheum species (rhubarb). (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables.
Apional
Apional is found in herbs and spices. Apional is a constituent of parsley (Petroselinum hortense). Constituent of parsley (Petroselinum hortense). Apional is found in herbs and spices.
Cysteinyl-Aspartate
C7H12N2O5S (236.04669019999997)
Cysteinyl-Aspartate is a dipeptide composed of cysteine and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-Cysteine
C7H12N2O5S (236.04669019999997)
Aspartyl-Cysteine is a dipeptide composed of aspartate and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Methionyl-Serine
Methionyl-Serine is a dipeptide composed of methionine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylmethionine
Serylmethionine is a dipeptide composed of serine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-
C10H12N4OS (236.07317819999997)
N-Acetyl-3-(nitrosulfanyl)-L-valine
C7H12N2O5S (236.04669019999997)
4-Acetylaminohippuric acid
C11H12N2O4 (236.07970319999998)
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
C11H12N2O4 (236.07970319999998)
Sorbinil
C11H9FN2O3 (236.05971759999997)
Dimethylfraxetin
6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins. Dimethylfraxetin is a natural product found in Pittosporum illicioides, Garcinia multiflora, and other organisms with data available. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.
(Z)-(-)-8-Chloro-6-chloromethyl-3-methoxy-2-methyl-1,6--octadiene
Murrayacarpin B
8-(Hydroxymethyl)-5,7-dimethoxychromen-2-one is a natural product found in Murraya paniculata with data available.
9-Hydroxycanthin-6-one
An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 9. Isolated from the roots of Eurycoma longifolia, it exhibits antineoplastic activity.
6-Methylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.300 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.302 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors. 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors.
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione
Harmalol hydrochloride
Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].
(2E,6Z)-8-chloro-6-chloromethyl-1-methoxy-2-methylocta-2,6-diene|Me ether-(2E, 6Z)-8-Chloro-6-chloromethyl-2-methyl-2, 6-octadien-1-ol
(3R)-5-carbomethoxymellein|(R)-(-)-5-methoxycarbonylmellein|5-carbomethoxy-3,4-dihydro-8-hydroxy-(3R)-methylisocoumarin|5-methoxycarbonylmellein
6-hydroxy-7,8-dimethoxy-4-methyl-chromen-2-one|6-hydroxy-7,8-dimethoxy-4-methyl-coumarin|6-Hydroxy-7,8-dimethoxy-4-methyl-cumarin|troupin (F)
5-methyl-5-(3-oxo-cyclohex-1-enyl)-barbituric acid|5-Methyl-5-(3-oxo-cyclohex-1-enyl)-barbitursaeure|5-methyl-5-(3-oxo-cyclohex-1-enyl)-pyrimidine-2,4,6-trione|5-Methyl-5-<3-oxo-cyclohexen-(1)-yl>-barbitursaeure
C11H12N2O4 (236.07970319999998)
8,10-Dioxo-5,6,9,10-tetrahydro-4H,8H-pyrimido[1,2,3-cd]purine-5-carboxylic acid
(2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)penta-2,4-dienoic acid|2,3-didehydrotelfairic anhydride
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-
3,6,7,8-tetrahydro-4,7,8-trihydroxynaphtho[2,3-c]furan-5(1H)-one|nodulone
5-Hydroxy-3-methyl-2-(hydroxymethyl)-7-methoxychromone
4,5-Methylene ether,2,4-dinitrophenylhydrazone-1-(2,4,5-Trihydroxyphenyl)-1-propanone,
6-hydroxy-4-hydroxymethyl-8-methoxy-3-methylisocoumarin
5-carboxyl-2-[2-(1,2-dihydroxyisopropyl)]benzofuran
7-Acetoxy-6-methoxy-chroman-2-on|7-acetoxy-6-methoxy-chroman-2-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetamide
C11H12N2O4 (236.07970319999998)
8S-(2)-8-(4-hydroxy-3-methoxybenzoyl)dihydrofuran-8(8H)-one
(E)-methyl 3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoate
Tri-Me ether-5,7,8-Trihydroxy-2H-1-benzopyran-2-one
3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzoic acid
2-(hydroxymethyl)-6-methylmethyleugenin|5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one
3(R)-methyl-6-methoxy-7,8-methylenedioxydihydroisocoumarin|dihydroinversin
6-Me ether,4-Ac-4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone
3-methoxy-4,5-methylenedioxycinnamic acid methyl ester|methyl (2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate
1-Hydroxycathi-6-one
1-Hydroxycanthin-6-one is a natural product found in Eurycoma longifolia with data available.
harmalol
Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].
MSFXSDYNQKVMTJ-UHFFFAOYSA-N
5,7,8-Trimethoxycoumarin is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum ailanthoides, and other organisms with data available.
K3JCS9D3KJ
6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors. 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors.
ervine
10-hydroxycanthin-6-one is an indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is an indole alkaloid and an organic heterotetracyclic compound. It is functionally related to a canthin-6-one. 10-Hydroxycanthin-6-one is a natural product found in Vinca major, Eurycoma longifolia, and Vinca minor with data available. An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity.
3-(1-hydroxy-2-oxobutylidene)-6-[(E)-prop-1-enyl]pyran-2,4-dione
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde
ZILEUTON
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based on: CCMSLIB00000845945]
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione_major
Thiacetazone
C10H12N4OS (236.07317819999997)
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Zyflo
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
Cys-asp
C7H12N2O5S (236.04669019999997)
Met-ser
A dipeptide composed of L-methionine and L-serine joined by a peptide linkage.
Ser-met
A dipeptide formed from L-serine and L-methionine residues.
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(E)-1-(4-hydroxy-2-oxo-6-(prop-1-en-1-yl)-2H-pyran-3-yl)butane-1,2-dione
(R)-2-Dimethylamino-1-phenylethylamine
C10H18Cl2N2 (236.08469680000002)
1,3-diisocyanato-2-methylbenzene,ethane-1,2-diol
C11H12N2O4 (236.07970319999998)
ETHYL 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLATE
dimethyl 5,5-difluorocyclohexane-1,3-dicarboxylate
2-Methoxy-4-(trifluoromethoxy)-phenylboronic acid
C8H8BF3O4 (236.04677139999998)
2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid
3-NITRO-2-PYRROLIDIN-1-YL-BENZOIC ACID
C11H12N2O4 (236.07970319999998)
2-(2,4-difluorobenzoyl)-3-(dimethylamino)acrylonitrile
Methyl 4-(cyclopropylamino)-3-nitrobenzoate
C11H12N2O4 (236.07970319999998)
(R)-4-(1-Aminobutyl)aniline dihydrochloride
C10H18Cl2N2 (236.08469680000002)
3-[(1S)-1-aminoethyl]-N,N-dimethylaniline,dihydrochloride
C10H18Cl2N2 (236.08469680000002)
(S)-4-(1-Aminobutyl)aniline dihydrochloride
C10H18Cl2N2 (236.08469680000002)
(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester
1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
C10H11F3O3 (236.06602519999998)
3-(2-hydroxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
[4-(2-Aminoethyl)phenyl]dimethylaminedihydrochloride
C10H18Cl2N2 (236.08469680000002)
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline,dihydrochloride
C10H18Cl2N2 (236.08469680000002)
(S)-2-(PYRROLIDIN-3-YLOXY)PYRIDINE DIHYDROCHLORIDE
C9H14Cl2N2O (236.04831339999998)
1-(3-fluorophenyl)-4-oxocyclohexanecarboxylic acid
4-(4-morpholino)-3-nitrobenzaldehyde
C11H12N2O4 (236.07970319999998)
2-Quinoxalinecarboxylic acid, 7-fluoro-3,4-dihydro-3-oxo-, ethyl ester
C11H9FN2O3 (236.05971759999997)
5-NITRO-2-(1-PYRROLIDINYL)BENZENECARBOXYLIC ACID
C11H12N2O4 (236.07970319999998)
1,4-Benzodioxin-2-carboxylic acid,2,3-dihydro-6-(2-oxopropyl)-
1-(3-NITROPHENYL)-1H-1,2,4-TRIAZOLE
C11H12N2O4 (236.07970319999998)
5-(methoxycarbonyl)-4-(trifluoromethyl)pyrimidine-2-hydrazine
C7H7F3N4O2 (236.05210780000002)
(2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C8H8BF3O4 (236.04677139999998)
Potassium 3-trifluoroboratopropionate tert-butyl ester
ethyl 6-nitropyrazolo[1,5-a]pyrimidine-3-carboxylate
(3,4-DIMETHOXY-2-(TRIFLUOROMETHYL)PHENYL)METHANOL
C10H11F3O3 (236.06602519999998)
5,5-dimethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione
C10H11F3O3 (236.06602519999998)
3(2H)-Pyridazinone,4-chloro-5-hydrazinyl-2-phenyl-
C10H9ClN4O (236.04648539999997)
1-(4-FLUOROPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID
7-FLUORO-4-OXO-4H-CHROMENE-2-CARBOXYLICACID ETHYL ESTER
Eflornithine hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors C471 - Enzyme Inhibitor > C2088 - Ornithine Decarboxylase Inhibitor D000970 - Antineoplastic Agents
methyl 5,6-dimethoxy-1h-indazole-3-carboxylate
C11H12N2O4 (236.07970319999998)
3-(1-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-PROPIONIC ACID
(2R,3S)-1-CARBOXY-4-PROPYL-2,3-DIHYDROXY-CYCLOHEXA-4,6-DIENE, POTASSIUM SALT, BALANCE SODIUM SALT, 93
1-(2-METHOXYETHYL)-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
C11H12N2O4 (236.07970319999998)
N,N-Dimethyl-3,3-dithiodipropionamide
C8H16N2O2S2 (236.06531560000002)
(5-METHOXY-2-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C8H8BF3O4 (236.04677139999998)
5-Chloro-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
ETHYL 3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE
C11H9FN2O3 (236.05971759999997)
2,3-DIHYDRO-5,6-DIMETHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)
2-[(5-CHLORO-2-METHOXYPHENYL)AZO]-1H-IMIDAZOLE
C10H9ClN4O (236.04648539999997)
3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
C10H12N4OS (236.07317819999997)
4-Imidazolidinone,5-(1-hydroxyethyl)-3-phenyl-2-thioxo-
3-PHENYL-4,5,6,7-TETRAHYDRO-1,2,3-TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE
1-(2-fluorophenyl)-4-oxocyclohexanecarboxylic acid
1,2-cyclohexanedione, mono[(4-chlorophenyl)hydrazone]
dimethyl 2-(phenylhydrazinylidene)propanedioate
C11H12N2O4 (236.07970319999998)
3-(4-CHLOROPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
C10H9ClN4O (236.04648539999997)
(5S)-5-Amino-6-fluoro-L-norleucine dihydrochloride
C6H15Cl2FN2O2 (236.04945619999998)
3-(1,3-Benzodioxol-5-yl)-2-methyl-2-oxiranecarboxylic acid methyl ester
[3-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)propyl]amine hydrochloride
2-Deoxy-alpha-D-erythro-pentofuranosyl chloride diacetate
N-Benzyl-5-chloro-3-fluoropyridin-2-amine
C12H10ClFN2 (236.05165019999998)
10-CHLORO-2,3,6,7-TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLIN-4(11BH)-ONE
3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester
1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA
C9H8F4N2O (236.05727259999998)
MORPHOLINO(2-NITROPHENYL)METHANONE
C11H12N2O4 (236.07970319999998)
Morpholino(3-nitrophenyl)methanone
C11H12N2O4 (236.07970319999998)
Methanone,4-morpholinyl(4-nitrophenyl)-
C11H12N2O4 (236.07970319999998)
1-(2-NITRO-BIPHENYL-4-YL)-ETHANONE
C11H12N2O4 (236.07970319999998)
1-(5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
1-(7-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)ethanone
5-amino-2-chloro-3-methyl-6-pyridin-4-ylpyrimidin-4-one
C10H9ClN4O (236.04648539999997)
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
C10H9ClN4O (236.04648539999997)
5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
C10H9FN4O2 (236.07095059999997)
N,N-DIETHYL-1,4-PHENYLENEDIAMINE DIHYDROCHLORIDE
C10H18Cl2N2 (236.08469680000002)
6,7,8-Trimethoxyquinazolin-4(3H)-one
C11H12N2O4 (236.07970319999998)
3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
2-Cyanoethyl diisopropylamidochlorophosphite
C9H18ClN2OP (236.08452179999998)
3-(3-HYDROXYPROPYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
(3-METHOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C8H8BF3O4 (236.04677139999998)
ETHYL 1-METHYL-3-THIEN-2-YL-1H-PYRAZOLE-5-CARBOXYLATE
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
C11H12N2O4 (236.07970319999998)
Sorbinil
C11H9FN2O3 (236.05971759999997)
C471 - Enzyme Inhibitor > C72880 - Aldose Reductase Inhibitor
2-(3-Amino-6-chloroquinolin-2-yl)propan-2-ol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
4-[(4-Chlorophenyl)hydrazinylidene]pyrazole-3,5-diamine
ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate
7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione
Benzenepropanoic acid, alpha-oxo-, trimethylsilyl ester
2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoic acid
C11H12N2O4 (236.07970319999998)
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
C11H12N2O4 (236.07970319999998)
N-Acetyl-3-(nitrosulfanyl)-L-valine
C7H12N2O5S (236.04669019999997)
2-Azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate
C11H12N2O4 (236.07970319999998)
L-Homolanthionine
A sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystathionine-gamma-lyase and a possible human hyperhomocysteinemia marker.
4-[(2-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
C10H9ClN4O (236.04648539999997)
(R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one
A natural product found in Leptosphaeria species.
4-[(4-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
C10H9ClN4O (236.04648539999997)
(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoate
C11H12N2O4 (236.07970319999998)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
(2Z)-2-[[(5-chloropyridin-2-yl)amino]methylidene]cyclohexan-1-one
3-[[(methylsulfonyl)oxy]ethyl]-5,5-dimethyldihydro-2(3H)-furanone
Thiophene-2-carboxaldehyde, (4-amino-5-ethyl-1,2,4-triazol-3-yl)hydrazone
Fructosylglycinate
A glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosylglycine.
(2S,3S,4S,5R)-6-acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-Acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
2-Mercapto-4,6-dimethylnicotinonitrile, TMS derivative
Ethane, 1-vinylthio-2-[(trimethylsilyloxy)ethylthio]-
10-Amino-9-chloro-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
C11H11ClN3O+ (236.05906059999998)
N-formyl-L-kynurenine zwitterion
C11H12N2O4 (236.07970319999998)
Zwitterionic form of N-formyl-L-kynurenine.
viridicatin(1-)
C15H10NO2 (236.07115000000002)
An organic anion that is the conjugate base of viridicatin resulting from the deprotonation of the 3-hydroxy group. Major microspecies at pH 7.3.
7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde
Coumestan
A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6.
N-formyl-D-kynurenine zwitterion
C11H12N2O4 (236.07970319999998)
Zwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
5-hydroxy-6,7-dimethoxy-2-methylchromone
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.
MFZ 10-7
MFZ 10-7 is a highly potent and selective mGluR5 NAM (negative allosteric modulator), with a Ki of 0.67 nM for rat mGluR5[1]. MFZ 10-7 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
3-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
2-{[(1e)-3-(methylsulfanyl)-3-oxoprop-1-en-1-yl]oxy}-1-phenylethanone
(2z,6e)-1-chloro-3-(chloromethyl)-8-methoxy-7-methylocta-2,6-diene
methyl 2-(7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl)acetate
(2s)-2-{[(2s)-2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-hydroxypropanoic acid
(3s,6z)-8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene
3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal
(2s,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione
methyl (2e)-2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
methyl (3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
(3ar,4r,5s,7ar)-4,5-dihydroxy-4-(3-methylbut-3-en-1-yn-1-yl)-5,7a-dihydro-3ah-1,3-benzodioxol-2-one
methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
3-hydroxy-4-[(2r)-2-methyl-5-oxooxolan-2-yl]benzoic acid
(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal
2-Methyl-5-carboxymethyl-7-hydroxychromanone
{"Ingredient_id": "HBIN005994","Ingredient_name": "2-Methyl-5-carboxymethyl-7-hydroxychromanone","Alias": "2-[(2S)-7-hydroxy-4-keto-2-methyl-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]ethanoic acid; 2-methyl-5-carboxymethyl-7-hydroxychromanone; 2-[(2S)-7-hydroxy-2-methyl-4-oxochroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-5-chromanyl]acetic acid","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "236.24","OB_score": "14.79619342","CAS_id": "NA","SymMap_id": "SMIT01034","TCMID_id": "25515","TCMSP_id": "MOL002234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-5-carboxymethyl-7-hydroxy-chromanone
{"Ingredient_id": "HBIN005995","Ingredient_name": "2-methyl-5-carboxymethyl-7-hydroxy-chromanone","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14212","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7,8-trimethoxy-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN012049","Ingredient_name": "6,7,8-trimethoxy-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4s,5r,6s,7s,11s)-5-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6,7-triol
(4s)-4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one
(10s)-5-hydroxy-7-oxo-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),5-triene-10-carboxylic acid
8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylic acid
(2r,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione
14-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
6,8-dihydroxy-3-[(2r)-2-hydroxypropyl]isochromen-1-one
3-hydroxy-4-(2-methyl-5-oxooxolan-2-yl)benzoic acid
(3as,4r,5s,7ar)-4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
(2e,4e)-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
7-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
5-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6,7-triol
methyl (2e)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate
methyl 2-[(2r)-7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl]acetate
5-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methylchromen-4-one
8-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
5-hydroxy-6-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one
7-methoxy-11-methyl-3,5,12-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one
2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-6-ium-6-olate
(2s)-2-amino-4-{2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid
C11H12N2O4 (236.07970319999998)
methyl 3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate
1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dione
3-hydroxy-4-[(2s)-2-methyl-5-oxooxolan-2-yl]benzoic acid
(2s)-2-hydroxy-4-methoxy-4-oxobutyl (2e)-4-chlorobut-2-enoate
6,7-dihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one
1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene
8-chloro-6-(chloromethyl)-1-methoxy-2-methylocta-2,6-diene
1,5-dihydroxy-3-methoxy-8-oxo-6,7-dihydro-5h-naphthalene-2-carbaldehyde
(1s,4s,5r,6s,7r,9s,11s)-5-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6,9-triol
(2r)-2-hydroxy-2-[4-(methylsulfanyl)butyl]butanedioic acid
methyl 2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
3-[(3s)-3,4-dihydroxy-3-methylbut-1-yn-1-yl]-4-hydroxybenzoic acid
3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal
3-(3,4-dihydroxy-3-methylbut-1-yn-1-yl)-4-hydroxybenzoic acid
5-hydroxy-7-oxo-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),5-triene-10-carboxylic acid
5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methylchromen-4-one
4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
2-ethyl-5-hydroxy-7-methoxy-1-benzofuran-6-carboxylic acid
6-hydroxy-4-(hydroxymethyl)-7-methoxy-2-methylcyclohepta[b]furan-5-one
8-hydroxy-3-(hydroxymethyl)-6-methoxy-4-methylisochromen-1-one
3-hydroxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h-pyrano[4,3-b]pyran-4,5-dione
(7s,8r)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one
(4r)-4,6,8-trihydroxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one
(2e,4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid
2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid
(4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid
(7r,8s)-4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one
8-hydroxy-3,5-dimethyl-4-(methylsulfanyl)chromen-2-one
(2s)-2-{[(2s)-2-amino-1,3-dihydroxypropylidene]amino}-4-(methylsulfanyl)butanoic acid
5-hydroxy-3-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one
2-[(1-{[hydroxy(methoxy)methylidene]amino}ethylidene)amino]benzoic acid
C11H12N2O4 (236.07970319999998)