Exact Mass: 283.08043180000004
Exact Mass Matches: 283.08043180000004
Found 500 metabolites which its exact mass value is equals to given mass value 283.08043180000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Guanosine
Guanosine (G), also known as 2-amino-inosine, belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl sugar moiety. Guanosine consists of a guanine base attached to a ribose (ribofuranose) ring via a beta-N9-glycosidic bond. Guanosine is a white, crystalline powder with no odor and mild saline taste. It is very soluble in acetic acid, and slightly soluble in water, but insoluble in ethanol, diethyl ether, benzene, and chloroform. Guanosine exists in all living species, ranging from bacteria to plants to humans. High levels of guanosine can be found in clovers, coffee plants, and the pollen of pines. It has been detected, but not quantified in, several different foods, such as leeks, garlic, chicory roots, green bell peppers, and black-eyed peas. Guanosine plays an important role in various biochemical processes including the synthesis of nucleic acids such as RNA and intracellular signal transduction (cGMP). The antiviral drug acyclovir, often used in herpes treatment, and the anti-HIV drug abacavir, are both structurally similar to guanosine. Guanosine can be phosphorylated to become guanosine monophosphate (GMP), cyclic guanosine monophosphate (cGMP), guanosine diphosphate (GDP), and guanosine triphosphate (GTP). In humans, guanosine is involved in intracellular signalling through the adenosine receptors A1R and A2AR (PMID: 31847113). Evidence from rodent and cell models has shown a number of important neurotrophic and neuroprotective effects of guanosine. In particular, it is effective in preventing deleterious consequences of seizures, spinal cord injury, pain, mood disorders and aging-related diseases, such as ischemia, Parkinson‚Äôs and Alzheimer‚Äôs diseases (PMID: 27699087). Studies with rodent models of Parkinson‚Äôs disease have shown that guanosine decreases neuronal apoptotic cell death and increases dopaminergic neurons at substantia nigra pars compacta, accompanied by an improvement of motor symptoms in Parkinson‚Äôs disease (i.e. a reduction of bradykinesia). Guanosine promotes neurite arborization, outgrowth, proliferation and differentiation. Systemic administration of guanosine for eight weeks (8 mg/kg) has been shown to stimulate neuroprogenitors proliferation in the subventricular zone (SVZ) in a mouse model of Parkinsonism (PMID: 27699087). The effect of guanosine treatment is accompanied by an increased number of fibroblast growth factor (FGF-2)-positive cells which is an important regulator of neuroprogenitor/stem cell proliferation, survival and differentiation (PMID: 27699087). Guanosine prevents reactive oxygen species (ROS) generation and cell death in hippocampal slices subjected to the oxygen/glucose deprivation (PMID: 31847113). Guanosine is a purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond. It has a role as a fundamental metabolite. It is a purines D-ribonucleoside and a member of guanosines. It is functionally related to a guanine. Guanosine is a nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine can be phosphorylated to become GMP (guanosine monophosphate), cGMP (cyclic guanosine monophosphate), GDP (guanosine diphosphate) and GTP (guanosine triphosphate) which are factors in signal transduction pathways. Guanosine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Guanosine is a natural product found in Ulva australis, Allium chinense, and other organisms with data available. Guanosine is a purine nucleoside formed from a beta-N9-glycosidic bond between guanine and a ribose ring and is essential for metabolism. Guanosine is a metabolite found in or produced by Saccharomyces cerevisiae. A purine nucleoside that has guanine linked by its N9 nitrogen to the C1 carbon of ribose. It is a component of ribonucleic acid and its nucleotides play important roles in metabolism. (From Dorland, 28th ed) Guanosine is a nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a beta-N9-glycosidic bond. Guanosine can be phosphorylated to become GMP (guanosine monophosphate), cGMP (cyclic guanosine monophosphate), GDP (guanosine diphosphate) and GTP (guanosine triphosphate). ; The nucleoside guanosine exert important neuroprotective and neuromodulator roles in the central nervous system, which may be related to inhibition of the glutamatergic neurotransmission activity. Guanosine is the specific extracellular guanine-based purines effector and indicate that its conversion occurs not only in the central nervous system but also peripherally. (PMID: 16325434); Guanosine is a nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a ?-N9-glycosidic bond. Guanosine is found in many foods, some of which are elderberry, malus (crab apple), acerola, and arrowhead. A purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS [Spectral] Guanosine (exact mass = 283.09167) and 3,4-Dihydroxy-L-phenylalanine (exact mass = 197.06881) and Glutathione disulfide (exact mass = 612.15196) and AMP (exact mass = 347.06308) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] Guanosine (exact mass = 283.09167) and Guanine (exact mass = 151.04941) and 3,4-Dihydroxy-L-phenylalanine (exact mass = 197.06881) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.125 CONFIDENCE standard compound; INTERNAL_ID 317 KEIO_ID G015; [MS2] KO008966 Annotation level-2 KEIO_ID G015 Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity. Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity. Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity.
Crotonosid
C10H13N5O5 (283.09166480000005)
Crotonoside is a purine nucleoside. Crotonoside is a natural product found in Croton tiglium with data available. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 26 Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1].
Penconazole
CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9666; ORIGINAL_PRECURSOR_SCAN_NO 9664 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9751; ORIGINAL_PRECURSOR_SCAN_NO 9750 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9670; ORIGINAL_PRECURSOR_SCAN_NO 9668 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9675 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9793; ORIGINAL_PRECURSOR_SCAN_NO 9792 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3107 D016573 - Agrochemicals D010575 - Pesticides
Fosthiazate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 3050 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8295; ORIGINAL_PRECURSOR_SCAN_NO 8293 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8351; ORIGINAL_PRECURSOR_SCAN_NO 8349 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8336; ORIGINAL_PRECURSOR_SCAN_NO 8334 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8335; ORIGINAL_PRECURSOR_SCAN_NO 8333 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8296; ORIGINAL_PRECURSOR_SCAN_NO 8294 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8249; ORIGINAL_PRECURSOR_SCAN_NO 8247
Morphinone
Morphinone is a very strong opioid. It is an intermediary substance in synthesises of semi-synthetic opioids, e.g. Naloxone and Naltrexone and Oxycodone. [HMDB]. Morphinone is found in many foods, some of which are bean, kombu, winter squash, and brassicas. Morphinone is a very strong opioid. It is an intermediary substance in synthesises of semi-synthetic opioids, e.g. Naloxone and Naltrexone and Oxycodone. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Cucumopine
C11H13N3O6 (283.08043180000004)
Cucumopine, also known as mikimopine or cucumopine, (4r-cis)-isomer, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Cucumopine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cucumopine can be found in carrot and wild carrot, which makes cucumopine a potential biomarker for the consumption of these food products.
Acrophylline
A quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively.
N2-Acetyl-L-aminoadipyl-delta-phosphate
C8H14NO8P (283.04570140000004)
2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
C14H21NO3S (283.12420760000003)
N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide
Trans-N-p-coumaroyl tyramine is a hydroxycinnamic acid. It has a role as a metabolite. p-Coumaroyltyramine is a natural product found in Ophiopogon japonicus, Polyalthia suberosa, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of); Ipomoea aquatica leaf (part of). Constituent of Chinese onion (Allium chinense) and broad bean (Vicia faba). N-(p-Hydroxyphenyl)ethyl p-hydroxycinnamide is found in onion-family vegetables and pulses. N-p-cis-Coumaroyltyramine is found in onion-family vegetables. N-p-cis-Coumaroyltyramine is a constituent of Chinese onion Allium chinense. A natural product found particularly in Solanum melongena and Asimina triloba. N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2]. N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2].
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid is produced by the marine Streptomyces sp. B7747.
N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide
N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide is found in fruits. N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide is an alkaloid from the leaves of Aegle marmelos (bael
Avenanthramide 1p
Avenanthramide 1p is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Anaxagoreine
Anaxagoreine is an alkaloid from Cananga odorata (ylang ylang Alkaloid from Cananga odorata (ylang ylang)
Glutaminylhistidine
Glutaminylhistidine is a dipeptide composed of glutamine and histidine. 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.
Histidylglutamine
Histidylglutamine is a dipeptide composed of histidine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
N-Phenylacetylphenylalanine
N-Phenylacetylphenylalanine (PAP) is a peptide analogue used as a potential antisickling agent. This biaromatic agent has properties that make it a suitable candidate for the development of a useful therapeutic agent for the treatment of sickle cell disease. (PMID: 3663644, 6587344) [HMDB] N-Phenylacetylphenylalanine (PAP) is a peptide analogue used as a potential antisickling agent. This biaromatic agent has properties that make it a suitable candidate for the development of a useful therapeutic agent for the treatment of sickle cell disease. (PMID: 3663644, 6587344).
8-Hydroxy-deoxyguanosine
C10H13N5O5 (283.09166480000005)
8-hydroxy-deoxyguanosine (8-OHdG) is a sensitive marker of the DNA damage due to hydroxyl radical attack at the C8 of guanine. This damage, if left unrepaired, has been proposed to contribute to mutagenicity and cancer promotion. 8-OHdG has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). 8-hydroxy-deoxyguanosine (8-OHdG) is a sensitive marker of the DNA damage due to hydroxyl radical attack at the C8 of guanine. This damage, if left unrepaired, has been proposed to contribute to mutagenicity and cancer promotion. [HMDB] 8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis. 8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis.
7-Methylinosine
7-Methylinosine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls.DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When a chemical bonds to DNA, the DNA becomes damaged, and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. 7-Methylguanosine has been identified in human urine and serum. (PMID: 3506820, 17044778, 17264127, 16799933, 15906010).
Histidinyl-Gamma-glutamate
Histidinyl-Gamma-glutamate is a dipeptide composed of histidine and gamma-glutamate. 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.
(E)-Avenanthramide D
(E)-Avenanthramide D is found in cereals and cereal products. (E)-Avenanthramide D is isolated from the oat Avena sativa. Isolated from the oat Avena sativa. (E)-Avenanthramide D is found in oat and cereals and cereal products.
1-Methyl-2-hydroadenosine
9-beta-d-Arabinofuranosylguanine
C10H13N5O5 (283.09166480000005)
8-Hydroxy-2-desoxyguanosine
C10H13N5O5 (283.09166480000005)
1-(1,3-Benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
Cariporide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Deoxythioguanosine
C10H13N5O3S (283.07390680000003)
hydroxydeoxyguanosine
C10H13N5O5 (283.09166480000005)
reparixin
C14H21NO3S (283.12420760000003)
3-[4-(2-Methylpropyl)phenyl]-2-oxobutane-1-sulfonamide
C14H21NO3S (283.12420760000003)
1-[(2R,5R)-4-Azidooxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
C10H13N5O5 (283.09166480000005)
2-Amino-9-[(2R,4S,5R)-5-(hydroperoxymethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
C10H13N5O5 (283.09166480000005)
Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-
C16H17N3S (283.11431220000003)
p-coumaroyltyramine
P-coumaroyltyramine belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. P-coumaroyltyramine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). P-coumaroyltyramine can be found in a number of food items such as small-leaf linden, mamey sapote, pepper (c. frutescens), and beech nut, which makes P-coumaroyltyramine a potential biomarker for the consumption of these food products.
Furo(2,3-b)quinoline, 4-methoxy-7-((3-methyl-2-butenyl)oxy)-
Ethyl 2-cyano-2-[2-(3-phenyl-1H-pyrazol-5-yl)hydrazono]acetate
3-methyl-N-phenyl-1-benzothiophene-2-carbothioamide
C16H13NS2 (283.04893780000003)
salinosporamide C
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-(3,4-Dihydroxyphenyl)-N-(2-phenylethyl)prop-2-enamide
8(1,1-dimethylallyl)-confusameline|8-(1,1-Dimethy-2-propenyl)-4-methoxyfuro[2,3-b]quinolin-7-ol
2-Amino-4-(4-methoxyphenyl)-1-methyl-1H-imidazole-5-sulfonic acid
1-O-(2-aminobenzoyl)-alpha-L-rhamnoside|2-aminobenzoyl alpha-L-rhamnopyranoside
8H-Benzo[b]pyrido[4,3,2-de][1,8]phenanthroline-8-one
dimethyl 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]butanedioate
Furo(2,3-b)quinolin-7-ol, 4-methoxy-8-(3-methyl-2-butenyl)-
(S)-Sparsiflorine|2-Methoxy-6aalpha-aporphan-1,10-diol|2-methoxy-6aalpha-aporphane-1,10-diol|Sparsiflorin|sparsiflorine
7-Aminoflunitrazepam
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3719 CONFIDENCE standard compound; INTERNAL_ID 1596
8-oxo-2-Deoxyguanosine
C10H13N5O5 (283.09166480000005)
8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis. 8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis.
Guanosine
C10H13N5O5 (283.09166480000005)
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; NYHBQMYGNKIUIF_STSL_0162_Guanosine_0500fmol_180430_S2_LC02_MS02_164; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.; MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040 Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity. Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity. Guanosine (DL-Guanosine) is a purine nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine possesses anti-HSV activity.
C17H17NO3_Phenylalanine, N-benzoyl-, methyl ester
Crotonoside
C10H13N5O5 (283.09166480000005)
Purines Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1]. Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML[1].
Morphinone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Penconazole
D016573 - Agrochemicals D010575 - Pesticides
Anaxagoreine
Paprazine
N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2]. N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense[1][2].
5-Chloro-N-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Boc-(R)- 3-Amino-3-(3-fluorophenyl)-propionic acid
Afloqualone
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D002491 - Central Nervous System Agents D003879 - Dermatologic Agents Afloqualone (HQ-495) is a GABAergic agent and has agonist activity at the β subtype of the?GABAα receptor. Afloqualone has antivertiginous effects thought to be attributable to the increased sensitivity of GABA receptors of the LVN neuron site[1].
3-[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]PROPANOIC ACID
8-METHYL-2-(5-METHYLTHIEN-2-YL)QUINOLINE-4-CARBOXYLIC ACID
C16H13NO2S (283.06669580000005)
(S)-(+)-(2-BUTENOYL)-2 10-CAMPHORSULTAM
C14H21NO3S (283.12420760000003)
4-[(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)METHYL]BENZOIC ACID
6-Thio-2-Deoxyguanosine
C10H13N5O3S (283.07390680000003)
6-Thio-2'-Deoxyguanosine is a nucleoside analogue that can be incorporated into de novo-synthesized telomeres by telomerase.
2-[(2,2-diethoxyethyl)thio]-1,3-benzothiazole
C13H17NO2S2 (283.07006620000004)
3-[1-(3-chlorophenoxy)ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
6-CHLORO-N-(5-ETHOXY-1H-PYRAZOL-3-YL)-3-NITROPYRIDIN-2-AMINE
C10H10ClN5O3 (283.04721400000005)
2-(4-(DIMETHYLCARBAMOYL)-[1,1-BIPHENYL]-4-YL)ACETIC ACID
TERT-BUTYL 4-CHLORO-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide
4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoic acid
L-Guanosine
C10H13N5O5 (283.09166480000005)
L-Guanosine is the L-configuration of Guanosine (HY-N0097). Guanosine is a purine nucleoside with anti-herpesvirus activity[1][2].
2-BROMO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide
methyl 3-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxylate
10-ethyl-8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione
4-METHANESULFONYL-BIPHENYL-2-YLAMINE HYDROCHLORIDE
4-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester
3-Bromobenzeneboronic Acid N-Methyldiethanolamine Ester
[4-(trifluoromethyl)pyrrolidine]-1,3-dicarboxylic acid 1-tert-butyl ester
[4-(Cyclohexylsulfamoyl)phenyl]boronic acid
C12H18BNO4S (283.10495380000003)
boc-(s)-3-amino-3-(2-fluoro-phenyl)-propionic acid
(r)-3-amino-4-(3-trifluoromethylphenyl)butanoic acid hydrochloride
4-(Bromomethyl)-2,6-di-tert-butylpyridine
C14H22BrN (283.09355120000004)
1-(4-CHLOROPHENYL)-1-(4-METHOXYPHENYL)METHYLAMINE HYDROCHLORIDE
1-(CHLOROACETYL)-4-(4-NITROPHENYL)PIPERAZINE
C12H14ClN3O3 (283.07236439999997)
3-(Methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H18BNO4S (283.10495380000003)
N-[2-Amino-4-chloro-6-[[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-5-pyrimidinyl]formamide
2-(4-Methoxybenzyloxy)-5-(trifluoromethyl)pyridine
boc-(r)-3-amino-3-(2-fluoro-phenyl)-propionic acid
(Z)-4-(4-CHLOROBENZYLIDENE)-2-PHENYLOXAZOL-5(4H)-ONE
2-(Methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H18BNO4S (283.10495380000003)
(5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDIN-2-YL)BORONIC ACID
C12H18BNO4S (283.10495380000003)
[3-(Cyclohexylsulfamoyl)phenyl]boronic acid
C12H18BNO4S (283.10495380000003)
(S)-3-AMINO-4-(3-(TRIFLUOROMETHYL)PHENYL)BUTANOIC ACID HYDROCHLORIDE
2-(4-NITRO-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
2-(2-NITRO-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
2-(4-nitrophenyl)-1H-benzimidazole-4-carboxylic acid
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
1-((6-CHLOROPYRIDIN-3-YL)METHYL)PIPERAZINE DIHYDROCHLORIDE
2-Amino-4-[4-(N,N-dimethylsulphamoyl)phenyl]-1,3-thiazole
3-[(3-methoxyphenyl)methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
2-CHLORO-8-ETHYL-5,6,7,8-TETRAHYDRO-5-OXO-PYRIDO(2,3-D)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
C12H14ClN3O3 (283.07236439999997)
6-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
Benzenesulfonamide-3-Boronic Acid Pinacol Ester
C12H18BNO4S (283.10495380000003)
2-(1,3-benzodioxol-5-yl)-6-nitroimidazo[1,2-a]pyridine
5-TERT-BUTYL-2-(3,4-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE
papaveroline
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
3-Piperidinecarboxylicacid, 4-oxo-1-phenyl-, ethyl ester, hydrochloride (1:1)
Ara-G
C10H13N5O5 (283.09166480000005)
D000970 - Antineoplastic Agents 9-β-D-Arabinofuranosylguanine is a Guanosine (HY-N0097) analog and shows high affinity for deoxyguanosine kinase (dGK) with a Km of 8.0 μM. 9-β-D-Arabinofuranosylguanine can be used for the research of T-cell lymphoblastic disease[1][2].
Benzoic acid,2-[[(2-oxo-2-phenylethyl)amino]carbonyl]-
1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
(S)-METHYL 2-(DIPHENYLMETHYLENEAMINO)-3-HYDROXYPROPANOATE
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
C12H14ClN3O3 (283.07236439999997)
N-HYDROXY-6-(4-METHOXYPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXIMIDAMIDE
3-amino-1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione
4,7-Dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid 6-tert-butyl ester
2-methyl-5-(piperidin-1-ylsulfonyl)phenylboronic acid
C12H18BNO4S (283.10495380000003)
5,6-dimethoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one
2-[(2-METHOXYBENZOYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
2-METHANESULFONYL-BIPHENYL-4-YLAMINE HYDROCHLORIDE
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
2-(1,1-DIOXIDOTHIOMORPHOLINO)-3-PHENYLPROPANOIC ACID
CIS-1-OXO-SPIRO[CYCLOHEXANE-1,3(1H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLICACIDHYDROCHLORIDE
ETHYL 3-(4-BENZOYL-1-METHYL-1H-PYRROL-2-YL)ACRYLATE
6-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID
(N-Crotonyl)-(2R)-bornane-10,2-sultam
C14H21NO3S (283.12420760000003)
2-[(E)-2-(4-Hydrazinophenyl)vinyl]pyridine dihydrochloride
1-ISOPROPYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE
3-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
3-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid
4-([(3-THIENYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
1-ISOPROPYL-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
7-PHENYL-1-PROPYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1-[(6-chloro-3-pyridinyl)methyl]piperazine(SALTDATA: 2HCl)
diethyl 2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-c]pyrrole-6,8-dicarboxylate
2-(benzyloxycarbonyl)-2-(isopropylthio)acetic acid
1-(TOLUENE-4-SULFONYL)-PIPERIDINE-3-CARBOXYLIC ACID
2-(2-Hydroxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Diethyl 6,7-dihydrothieno[3,2-c]pyridine-2,5(4H)-dicarboxylate
5-(3-METHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
C16H13NO2S (283.06669580000005)
Dexpramipexole (dihydrochloride)
Dexpramipexole dihydrochloride ((R)-Pramipexole dihydrochloride) is a neuroprotective agent and weak non-ergoline dopamine agonist.
Methyl 3-(2-amino-4-pyrimidinyl)-1-methyl-1H-pyrrolo[2,3-b]pyridi ne-4-carboxylate
Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
(R)-3-AMINO-4-(4-(TRIFLUOROMETHYL)PHENYL)BUTANOIC ACID HYDROCHLORIDE
4-CHLORO-7-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-7H-PYRROLO[2,3-D]PYRIMIDINE
1-[2-(4-FLUOROPHENOXY)ETHYL]-1H-INDOLE-3-CARBALDEHYDE
(s)-3-amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride
5-TERT-BUTYL-2-(2,6-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE
5-TERT-BUTYL-2-(2,5-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE
4-(4-METHOXYPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
Pramipexole dihydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D020011 - Protective Agents > D000975 - Antioxidants Pramipexole dihydrochloride is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole dihydrochloride can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].
(Z)-4-(2-CHLOROBENZYLIDENE)-2-PHENYLOXAZOL-5(4H)-ONE
4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER
C12H18BNO4S (283.10495380000003)
2-CYANO-3-(TRIFLUOROMETHYL)PHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER
2-(d-gluco-pentylhydroxypentyl)-4(r)-1,3-thiazolidine-4-carboxylic acid
C9H17NO7S (283.07256920000003)
5-[2-(TOLUENE-4-SULFONYL)-ETHYL]-[1,3,4]THIADIAZOL-2-YLAMINE
(s)-3-amino-4-(4-trifluoromethylphenyl)butanoic acid hydrochloride
Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
(R)-Methyl 3-aMino-4-(2,4,5-trifluorophenyl)butanoate hydrochloride
(R)-(-)-(2-Methylacryloyl)-2,10-camphorsultam
C14H21NO3S (283.12420760000003)
(S)-(+)-(2-Methylacryloyl)-2,10-camphorsultam
C14H21NO3S (283.12420760000003)
(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)(phenyl)acetic acid
2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetic acid
2-(4-Trifluoromethylphenoxy)pyridine-5-boronic acid
2-(4-CHLORO-PHENYL)-5-P-TOLYL-2H-PYRAZOL-3-YLAMINE
ETHYL 1-(5-CHLORO-3-FLUOROPYRIDIN-2-YL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
1-(3-BROMO-5-METHYLPYRIDIN-2-YL)-4-ETHYLPIPERAZINE
(2-Methyl-4-(piperidin-1-ylsulfonyl)phenyl)boronic acid
C12H18BNO4S (283.10495380000003)
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(TRIFLUOROMETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
5-(4-METHOXY-PHENYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
[2-(methacryloyloxy)ethyl]trimethylammonium methyl sulphate
6-Benzyl-4-chloro-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-d]pyrimidine hydrochloride
boc-(s)-3-amino-3-(3-fluoro-phenyl)-propionic acid
(r)-3-amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride
N-(N-P-Nitro-Benzyloxycarbonyl)-Formimidoyl-2-Aminoethylthiol
1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxylic acid
reparixin
C14H21NO3S (283.12420760000003)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(4-Chlorophenyl)quinoxaline-5-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
N-(3-Phenoxycinnamyl)acetohydroxamic acid
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors
Guanine, 9-beta-D-xylofuranosyl-
C10H13N5O5 (283.09166480000005)
D000970 - Antineoplastic Agents
3-(3,4-Dihydroxyphenyl)-N-phenethylpropenamide, (E)-
2-[4-(Dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
N-cyclohexyl-2-(2-thienylcarbonyl)-1-hydrazinecarbothioamide
2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-9-methyl-4-(trifluoromethyl)-
9-Hydroxy-7-methoxy-3,8-dimethylbenzo[g]isoquinoline-5,10-dione
4-[4-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
C14H12F3NS (283.06425079999997)
2-[(Dimethylamino)methyl]-3-hydroxy-4-methyl-6-benzo[c][1]benzopyranone
2-[(2-Methylphenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole
2-[(4-Chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile
N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-3-pyridinecarboxamide
C14H10FN5O (283.08693420000003)
N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
2-Ethyl-5,8-dimethoxy-1,3,4,9-tetraaza-1H-phenalene-7-carbonitrile
Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
C14H10FN5O (283.08693420000003)
2-(2-Hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid is produced by the marine Streptomyces sp. B7747. Production by the marine Streptomyces species B7747.
N-(5-luoro-4-iminoquinazolin-3-yl)pyridine-4-carboxamide
C14H10FN5O (283.08693420000003)
biochanin A(1-)
Conjugate base of biochanin A arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
Conjugate base of 5,7-dihydroxy-4-methoxyflavone.
7-Methylinosine
A positively charged methylinosine in which a single methyl substituent is located at position 7 on the hypoxanthine ring.
3-[2-(dimethylazaniumyl)ethyl]-1H-indol-4-yl phosphate
C12H16N2O4P- (283.08476459999997)
Dehydrocoformycin(1+)
An iminium ion obtained by selective protonation at position 4 on the diazepin ring of dehydrocoformycin. It is thought to be the major species at pH 7.3.
(4R)-11-hydroxy-10-methoxy-5-azaspiro[cyclohexane-1,2-tricyclo[6.3.1.04,12]dodecane]-(12),2,5,8,10-pentaen-4-one
N-acetyl-L-2-aminoadipic acid 6-phosphate
C8H14NO8P (283.04570140000004)
7-Methyl-6-oxo-9-(D-ribofuranosyl)-6,7-dihydro-3H-purin-9-ium
2-amino-9-[5-(hydroxymethyl)-3-sulfanyloxolan-2-yl]-1H-purin-6-one
C10H13N5O3S (283.07390680000003)
2-amino-9-[2,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
C10H13N5O5 (283.09166480000005)
1-[(2R,5R)-4-Azidooxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
C10H13N5O5 (283.09166480000005)
2-Amino-9-[(2R,4S,5R)-5-(hydroperoxymethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
C10H13N5O5 (283.09166480000005)
2-Hydroxy-1-methyl-3-phenylsulfanylquinolin-4-one
C16H13NO2S (283.06669580000005)
N-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-carboxamide
2-(Methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
Ala-Gly-His
A tripeptide composed of L-alanine, glycine, and L-histidine joined in sequence by peptide linkages.
Calycosin(1-)
A flavonoid oxoanion obtained by deprotonation of the hydroxy group at position 7 of calycosin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Wogonin(1-)
The flavonoid oxoanion formed by deprotonation of the 7-hydroxy function of wogonin. Major structure at pH 7.3.
3-(4-Fluorophenyl)-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
(E)-2-cyano-3-(2,5-dimethyl-1H-pyrrol-3-yl)-N-(2-fluorophenyl)prop-2-enamide
2-[1-(2-Hydroxyanilino)ethylidene]-1-benzothiophen-3-one
C16H13NO2S (283.06669580000005)
Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
1-(2-Furanylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
2-Ethyl-6-fluoro-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Ethyl 2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
C13H11F2NO2S (283.04785300000003)
6-Methyl-4-(trifluoromethyl)-7,8,9,10-tetrahydropyrano[2,3-f]quinolin-2-one
2-(2,5-dioxo-4-imidazolidinyl)-N-(1-naphthalenyl)acetamide
1-methyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide
Prunetin-5-olate
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of prunetin. It is the major microspecies at pH 7.3
4-(3-Methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
2-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide
6-ethyl-2-methyl-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine
C16H17N3S (283.11431220000003)
(3S,4R,5S)-5-methyl-2,3-diphenyl-4-isoxazolidinecarboxylic acid
(3S,4S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-mercapto-3-oxolanol
C10H13N5O3S (283.07390680000003)
2-[(E)-2-(2-hydroxyphenyl)vinyl]quinolinium chloride
ethyl 2-cyano-2-[(5-phenyl-1H-pyrazol-3-yl)hydrazinylidene]acetate
5-[(E)-2-(2,6-difluorophenyl)ethenyl]quinolin-8-ol
(4R,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
(5E)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-(phenylamino)-1,3-thiazol-4(5H)-one
N-{[3,5-dimethyl-4-(methylthio)phenoxy]carbonyl}-beta-alanine
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-2-(1H-imidazol-4-yl)ethyl]amino}-5-oxopentanoate
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-isocyanoaniline
C16H17N3S (283.11431220000003)
(Z)-N-(3-Chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-fluorobenzoate
(2S,3S,4R,5R)-3,4,5-trihydroxy-6-(pyridine-4-carbonyl)oxane-2-carboxylic acid
N-[(E)-{[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl]phenylalanine
2-[5-amino-4-(cyanomethanimidoyl)-1H-imidazol-1-yl]-3-phenylpropanoic acid
2-Trimethylsilyloxy-3-pyridinecarboxylic acid trimethylsilyl ester
C12H21NO3Si2 (283.10599160000004)
8-hydroxy-2-deoxyguanosine
C10H13N5O5 (283.09166480000005)
8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis. 8-Hydroxy-2'-deoxyguanosine is a critical biomarker of oxidative stress and carcinogenesis.
psilocybin(1-)
C12H16N2O4P (283.08476459999997)
An organophosphate oxoanion resulting from the protons from the phosphate group and the protonation of the tertiary amino group of psilocybin. The major species at pH 7.3
gamma-Glu-His(1-)
A peptide anion that is the conjugate base of gamma-Glu-His, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
p-tolyl beta-D-glucuronide(1-)
A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy group of p-tolyl beta-D-glucuronide.
8-Hydroxyadenosine
C10H13N5O5 (283.09166480000005)
8-Hydroxyadenosine is a purine nucleoside[1].
ALDH1A3-IN-1
ALDH1A3-IN-1 (Compound 14) is a potent ALDH1A3 inhibitor, with an IC50 of 0.63 μM and a Ki of 0.46 μM. ALDH1A3-IN-1 can be studied in prostate cancer[1].
Heclin
Heclin is a HECT E3 ubiquitin ligases inhibitor. Heclin inhibits Smurf2, Nedd4, WWP1 (IC50 values are 6.8, 6.3, 6.9 μM) and can be used for the research of gastric cancer[1][2][3].
Varenicline (dihydrochloride)
Varenicline (CP 526555-18) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].