Exact Mass: 258.0892044
Exact Mass Matches: 258.0892044
Found 500 metabolites which its exact mass value is equals to given mass value 258.0892044,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Yangonin
Yangonin is a member of 2-pyranones and an aromatic ether. Yangonin is a natural product found in Piper methysticum, Ranunculus silerifolius, and Piper majusculum with data available. See also: Piper methysticum root (part of). Yangonin is found in beverages. Yangonin is found in kava root (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava root (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Yangonin exhibits affinity for the human recombinant cannabinoid CB1 receptor with an IC50 and a Ki of 1.79 μM and 0.72 μM, respectively. Yangonin exhibits affinity for the human recombinant cannabinoid CB1 receptor with an IC50 and a Ki of 1.79 μM and 0.72 μM, respectively.
AICA-riboside
AICA-riboside, also known as acadesine or AICAR, is an AMP-activated protein kinase activator which is used for the treatment of acute lymphoblastic leukemia and may have applications in treating other disorders such as diabetes. AICA-riboside is an adenosine regulating agent developed by PeriCor Therapeutics and licensed to Schering-Plough in 2007 for phase III studies. The drug is a potential first-in-class agent for prevention of reperfusion injury in CABG surgery. Schering began patient enrollment in phase III studies in May, 2009. The trial was terminated in late 2010 based on an interim futility analysis (Wikipedia). AICA-riboside is a minor constituent found in human milk (PMID: 7702711). C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy D007004 - Hypoglycemic Agents
Ribothymidine
Ribothymidine 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 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. (PMID: 3506820, 17044778, 17264127, 16799933) [HMDB] Ribothymidine 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 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. (PMID:3506820, 17044778, 17264127, 16799933). 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids. 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids.
Glycerophosphorylcholine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G069; [MS2] KO009112 KEIO_ID G069
Imidazoleacetic acid riboside
Imidazoleacetic acid riboside is a metabolite of imidazoleacetic acid (itself histamines oxidative metabolite). (PMID: 7616240). In kidney glomeruli, histamine is predominantly catabolized to acid metabolites of the diamine oxidase (histaminase) pathway, imidazoleacetic acid and Imidazoleacetic acid riboside. (PMID: 7616240). Imidazoleacetic acid riboside is a metabolite of imidazoleacetic acid (itself histamines oxidative metabolite). (PMID: 7616240)
Wyerone
Constituent of broad bean seedlings (Vicia faba) infected with Botrytis subspecies Wyerone is found in lentils, pulses, and broad bean. Wyerone is found in broad bean. Wyerone is a constituent of broad bean seedlings (Vicia faba) infected with Botrytis species
Peucedanin
Peucedanin, also known as 2-isopropyl-3-methoxy-7h-furo[3,2-g]chromen-7-one or 4-methoxy-5-isopropylfuro(2,3:6,7)coumarin, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Peucedanin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Peucedanin can be found in carrot, chervil, and wild carrot, which makes peucedanin a potential biomarker for the consumption of these food products. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Davidigenin
A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, and 4 respectively.
Lunularic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Carbapenem biosynthesis intermediate 5
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid, an organic heterobicyclic compound and a primary amino compound. Carbapenem biosynthesis intermediate 5 is a natural product found in Streptomyces cattleya, Apis cerana, and Euglena gracilis with data available.
(2S)-2-Amino-5-[[(1S,2R)-1-carboxy-2-hydroxybut-3-ynyl]amino]-5-oxopentanoic acid
Xanthoxyletin
Xanthoxyletin is a member of coumarins. It has a role as a metabolite. Xanthoxyletin is a natural product found in Zanthoxylum dipetalum, Murraya siamensis, and other organisms with data available. Isolated from Zanthoxylum americanum (prickly ash). Xanthoxyletin is found in lemon, sweet orange, and herbs and spices. Xanthoxyletin is found in herbs and spices. Xanthoxyletin is isolated from Zanthoxylum americanum (prickly ash). A natural product found in Clausena harmandiana.
3-Methyluridine
3-Methyluridine is a modified nucleoside of cellular RNA. All modifications are formed post-transcriptionally in RNA from the normal nucleosides by modifying enzymes, especially specific RNA-methyltransferases and RNA-synthetases. Due to the lack of specific phosphorylases for modified nucleosides they cannot be recycled for synthesizing RNA, so they are excreted quantitatively in urine. (PMID 15906010) [HMDB] 3-Methyluridine is a modified nucleoside of cellular RNA. All modifications are formed post-transcriptionally in RNA from the normal nucleosides by modifying enzymes, especially specific RNA-methyltransferases and RNA-synthetases. Due to the lack of specific phosphorylases for modified nucleosides they cannot be recycled for synthesizing RNA, so they are excreted quantitatively in urine. (PMID 15906010). 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2]. 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2].
Demethylvestitol
Isolated from Lablab niger (hyacinth bean) and Phaseolus vulgaris (kidney bean). Demethylvestitol is found in many foods, some of which are green bean, scarlet bean, common bean, and pulses. Demethylvestitol is found in common bean. Demethylvestitol is isolated from Lablab niger (hyacinth bean) and Phaseolus vulgaris (kidney bean). D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Rhapontigenin
Rhapontigenin is found in garden rhubarb. Rhapontigenin is isolated from rhizomes of Rheum undulatum (rhubarb) 4-Guanidinobutanoate is a normal metabolite present in low concentrations. Patients with hyperargininemia have an arginase deficiency which leads to blockade of the urea cycle in the last step with several clinical symptoms. Owing to the arginase deficiency this patients accumulate arginine which leads eventually to epileptogenic guanidino compounds (PMID 7752905 Isolated from rhizomes of Rheum undulatum (rhubarb) Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1]. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1].
(2S,3R,4R)-3,4,4'-Trihydroxyflavan
(2S,3R,4R)-3,4,4-Trihydroxyflavan is found in fruits. (2S,3R,4R)-3,4,4-Trihydroxyflavan is a constituent of the seeds of Musa sapientum (banana). Constituent of the seeds of Musa sapientum (banana). (2S,3R,4R)-3,4,4-Trihydroxyflavan is found in fruits.
5-Methoxyseselin
Consit. of Citrus grandis (pummelo). 5-Methoxyseselin is found in citrus. 5-Methoxyseselin is found in citrus. Consit. of Citrus grandis (pummelo
Cysteinyl-Histidine
Cysteinyl-Histidine is a dipeptide composed of cysteine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylcysteine
Histidylcysteine is a dipeptide composed of histidine and cysteine. 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.
O-Desmethylangolensin
O-Desmethylangolensin (ODMA) is a metabolite of the soy isoflavone daidzein by intestinal bacteria in approximately 80-90\\\% of persons. Studies suggest beneficial health effects associated with daidzein-metabolizing phenotypes, and there is some small association between ODMA production and some phenotypes. Few dietary factors are associated with daidzein-metabolizing phenotypes. However, it remains unclear why some, but not all, persons harbor ODMA-producing bacteria. ODMA production is inversely associated with age, height, weight, and body mass index. In addition, Asians are less likely than whites to be ODMA producers, and former smokers were more likely than never smokers to be ODMA producers. Investigators have attempted to identify the bacteria involved in ODMA production, and several candidate bacteria were associated, but not definitely identified. ODMA production is correlated with the abundance of methanogens, indicating that the metabolic fate of daidzein may be related to intestinal H(2) metabolism. (PMID: 18326607, 17506823) [HMDB] O-Desmethylangolensin (ODMA) is a metabolite of the soy isoflavone daidzein by intestinal bacteria in approximately 80-90\\\% of persons. Studies suggest beneficial health effects associated with daidzein-metabolizing phenotypes, and there is some small association between ODMA production and some phenotypes. Few dietary factors are associated with daidzein-metabolizing phenotypes. However, it remains unclear why some, but not all, persons harbor ODMA-producing bacteria. ODMA production is inversely associated with age, height, weight, and body mass index. In addition, Asians are less likely than whites to be ODMA producers, and former smokers were more likely than never smokers to be ODMA producers. Investigators have attempted to identify the bacteria involved in ODMA production, and several candidate bacteria were associated, but not definitely identified. ODMA production is correlated with the abundance of methanogens, indicating that the metabolic fate of daidzein may be related to intestinal H(2) metabolism. (PMID: 18326607, 17506823). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
Archangin
Archangin is found in fats and oils. Archangin is from Angelica archangelica (angelica
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Acetomenaphthone
Acetomenaphthone is a synthetic vitamin. Synthetic vitamin
3',4',7-Trihydroxyisoflavan
3,4,7-Trihydroxyisoflavan is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
3'-Hydroxyequol
3-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
cis-4-Hydroxyequol
cis-4-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2'-O-Methyluridine
2-O-Methyluridine belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. 2-O-Methyluridine was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.
1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-
5-Hydroxymethyl-2'-deoxyuridine
arabinofuranosylthymine
5-Amino-1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
L-enantiomer
3-(4-Hydroxyphenyl)-3,5,6,8-tetrahydro-2H-chromene-4,7-dione
Ribosyl-5-amino-4-imidazolcarboxamid
Braylin
Braylin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Braylin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Braylin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes braylin a potential biomarker for the consumption of these food products.
Isorhapontigenin
Isorhapontigenin is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Isorhapontigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isorhapontigenin can be found in garden rhubarb, which makes isorhapontigenin a potential biomarker for the consumption of this food product. Isorhapontigenin is a tetrahydroxylated stilbenoid with a methoxy group. It is an isomer of rhapontigenin and an analog of resveratrol. It is found in the Chinese herb Gnetum cleistostachyum, in Gnetum parvifolium and in the seeds of the palm Aiphanes aculeata . Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Histidinyl-Cysteine
Prangone
Murrayone is a natural product found in Murraya exotica and Murraya paniculata with data available. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1]. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1].
Isorhapontigenin
Isorhapontigenin is a stilbenoid. Isorhapontigenin is a natural product found in Smilax corbularia, Aiphanes horrida, and other organisms with data available. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Rhapontigenin
Rhapontigenin is a stilbenoid. Rhapontigenin is a natural product found in Rheum undulatum, Gnetum hainanense, and other organisms with data available. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1]. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1].
U 50228
N1-methyl-pseudouridine (1-Methylpseudouridine), a methylpseudouridine, outperforms 5 mC and 5 mC/N1-methyl-pseudouridine in translation. N1-methyl-pseudouridine in mRNA enhances translation through eIF2α-dependent and independent mechanisms by increasing ribosome density[1].
1,4-Dihydro-4-oxo-3-(2-pyrrolidinyl)-2-quinolinecarboxylic acid
C14H14N2O3 (258.10043740000003)
4-Hydroxy-3-(4-hydroxybenzyl)-5-methoxybenzaldehyde
1-Acetyl-3-carboxy-tetrahydro-beta-carboline
C14H14N2O3 (258.10043740000003)
Demethylvestitol
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
3,8-Dimethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene
3-Hydroxy-beta-lapachone
[Raw Data] CB127_3-Hydroxylapachone_pos_50eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_40eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_30eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_20eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_10eV_CB000045.txt
Ononetin
1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone is a stilbenoid. Ononetin, a natural deoxybenzoin, is a potent and selective TRPM3 channel blocker with an IC50 of 0.3 μM[1].
2-hydroxy-3-( 4-hydroxy-3-methyl-2-butenyl)-1,4-naphthoquinone
acetic acid 4-acetoxy-6-hydroxy-1-(2-hydroxyethyl)hexa-1,3-dienyl ester|citrantifidiene
2-methoxy-3,4,3-trihydroxystilbene|3,3,4-trihydroxy-2-methoxy-trans-stilbene
6-(3,4-Dimethoxy-trans-styryl)-2-pyron|6-(3,4-Dimethoxystyryl-)2-pyron
3(2-pyrrolidinyl)-KYNA|3-(2-pyrrolidinyl)-kynurenic acid
C14H14N2O3 (258.10043740000003)
Ac-(Z)-7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol
4,8,9-Trihydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
Di-Ac-2-(3-Methyl-3-buten-1-ynyl)-1,4-benzenediol,9CI
Tensyuic acid B
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.
4-Oxo-5,6,9,10-tetradehydro-4,5-secofuranoeremophilan-5,1-carbolacton
Naphtho(1,2-b)furan-4,5-dione, 2,3-dihydro-6-hydroxy-2,3,3-trimethyl-
2-(2-Methoxyisopropyl)psoralen|2-(1-methoxy-1-methyl-ethyl)-furo[3,2-g]chromen-7-one|dehydromarmesin methyl ether
(3aS*,5S*,7aR*)-5-benzoyloxy-3a,4,5,7a-tetrahydro-3H-benzofuran-2-one|miliusolide
2-Methoxy-6-(4-methoxy-trans-styryl)-pyran-4-on|2-methoxy-6-(4-methoxy-trans-styryl)-pyran-4-one|2-methoxy-6-<2-(4-methoxyphenyl)ethenyl>pyran-4-one
Braylin
Braylin is a natural product found in Geleznowia verrucosa, Pitavia punctata, and other organisms with data available.
2,5,7-trihydroxy-4-methoxy-9,10-dihydrophenanthrene|7-methoxy-9,10-dihydrophenanthrene-2,4,5-triol
(5-Amino-imidazol-4-carbonsaeureamid)-ribofuranosid|5-amino-1(3)H-imidazole-4-carboxylic acid beta-D-ribofuranosylamide
(+)-9-demethyleleutherin|(1R,3S)-9-hydroxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione|3,4-dihydro-9-hydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione|8-desmethyleleutherin
5-methoxy-4,7,9S-trihydroxy-9,10-dihydrophenanthrene
1-(4-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(2S)-2,3-dihydro-6-hydroxy-2,3,3-trimethylnaphto[2,3-b]furan-4,9-dione|(2S)-6-hydroxy-alpha-dunnione
2,5-Dimethyl-8,10-dihydroxy-2,3-dihydro-4H-naphtho[1,2-b]pyran-4-one
2-Thioxo-5-ethyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
6-methoxy-8-(prop-1-en-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one|hedyotiscone A
Plicatol_C
Rotundatin is a natural product found in Dendrobium plicatile with data available.
3-Methyluridine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.102 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.109 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2]. 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2].
Spongothymidine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
C15H14O4_1-(2,5-Dihydroxy-2-methyl-2,3-dihydrobenzo[de]chromen-4-yl)ethanone
Ribothymidine
A methyluridine having a single methyl substituent at the 5-position on the uracil ring. 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids. 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids.
1-Methylpseudouridine
N1-methyl-pseudouridine (1-Methylpseudouridine), a methylpseudouridine, outperforms 5 mC and 5 mC/N1-methyl-pseudouridine in translation. N1-methyl-pseudouridine in mRNA enhances translation through eIF2α-dependent and independent mechanisms by increasing ribosome density[1].
5-Methyluridine
CONFIDENCE standard compound; INTERNAL_ID 320 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids. 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids.
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
Peucedanin
A member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Origin: Plant, Coumarins
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based: Match]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000846301]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000848039]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based: Match]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSIDE
2,2-Dimethyl-5-oxo-2,3,4,5-tetrahydroindeno[1,2-b]pyran-6-carboxylic acid
Acadesine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy
O-Demethylangolesin
O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
Diacetyl trimer
6-(2,2-DIMETHYL-PROPIONYLAMINO)-PYRIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
Shi epoxidation catalyst, L-enantiomer
Ethyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
C14H14N2O3 (258.10043740000003)
N-3-Anilinoprop-2-enylidene]-N-phenylamine hydrochloride
Magnesium acetylacetonate dihydrate
C10H18MgO6 (258.09538280000004)
1-[4-(4-MORPHOLINYL)PHENYL]-1H-PYRROLE-2,5-DIONE
C14H14N2O3 (258.10043740000003)
2-[2-Oxo-2-(4-fluorophenyl)ethyl]benzoic acid
C15H11FO3 (258.06921880000004)
12-OXO-6,7,8,9,10,12-HEXAHYDRO-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXYLIC ACID
C14H14N2O3 (258.10043740000003)
Benzoic acid,2-hydroxy-4-(phenylmethoxy)-, methyl ester
benzyl N-(6-methyl-2-oxo-1H-pyridin-3-yl)carbamate
C14H14N2O3 (258.10043740000003)
4,4,5,5-Tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane
2-C-Methyluridine
2'-C-methyluridine is a uridine analog. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1].
2-Cyanophenylboronic acid MIDA ester
C12H11BN2O4 (258.08118360000003)
3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile
C12H11BN2O4 (258.08118360000003)
4,4,5,5-tetramethyl-2-(2,4,5-trifluorophenyl)-1,3,2-dioxaborolane
1,4-Methanonaphthalene-5,8-diol,1,4-dihydro-, 5,8-diacetate
2-Benzyl-5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
4-[(N,N-DIMETHYLGLYCYL)AMINO]BENZOIC ACID HYDROCHLORIDE
3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-5-METHOXYPYRIDINE
Benzyl (4-methoxypyridin-2-yl)carbamate
C14H14N2O3 (258.10043740000003)
5-[(4-Fluorobenzyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid
Aspartic acid beta-naphthylamide
C14H14N2O3 (258.10043740000003)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
(2-HYDROXY-4-(2-HYDROXYETHOXY)PHENYL)(PHENYL)METHANONE
7-ISOPROPOXY-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
C14H14N2O3 (258.10043740000003)
(R,R)-7-AMINO-3-(1-METHYLPYRROLIDINIO)METHYL-3-CEPHEM-4-CARBOXYLATEHCL
C14H14N2O3 (258.10043740000003)
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-CARBAMICACIDBENZYLESTER
1-oxo-2,3,4,9-tetrahydro-1h-b-carboline-6-carboxylic acid ethyl ester
C14H14N2O3 (258.10043740000003)
a-D-erythro-Hex-2-enopyranoside,ethyl 2,3-dideoxy-, 4,6-diacetate
ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
6,7-Diethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
3-(4-METHYL-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDIN-5-YL)PROPANOIC ACID
C14H14N2O3 (258.10043740000003)
4-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
Sulnidazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
7-Isopropoxy-6-methoxy-4-oxo-3,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
ethyl 4-(6-methylpyridazin-3-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
2-(chloromethyl)oxirane,3-(2,3-dihydroxypropoxy)propane-1,2-diol
4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane
2-CHLORO-N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-ISONICOTINAMIDE
TERT-BUTYL (4-(2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)CARBAMATE
6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
O,O-Di(ethyl-d10) O-(2-pyrazinyl) phosphorothioate
2-(Trimethylsilyl)ethyl 3-Nitro-1H-1,2,4-triazole-1-carboxylate
1-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)BUTANE-1,3-DIONE
C14H14N2O3 (258.10043740000003)
2,5-DIHYDRO-2-OXO-5-PHENYL-5-(2-PROPENYL)-3-FURANCARBOXYLIC ACID, METHYL ESTER
5-Hydroxymethyl-2-deoxyuridine
D000970 - Antineoplastic Agents 5-Hydroxymethyl-2'-deoxyuridine is a nucleoside analog. 5-Hydroxymethyl-2'-deoxyuridine inhibits the replication of multiple human leukemia cell lines with IC50 values of 1.7-5.8 μM. 5-Hydroxymethyl-2'-deoxyuridine prolongs the survival of mice carrying L1210 leukemia. 5-Hydroxymethyl-2'-deoxyuridine can be used for the research of cell replication and leukemia[1][2][3].
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexulofuranose
Benzoic acid, 4-(cyclopropylMethoxy)-3-(difluoroMethoxy)-
methyl2-((1R,3R)-3-amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
6-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-YL)-hexanoic acid
1-beta-D-Arabinofuranosylthymine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
C16H15FO2 (258.10560219999996)
(7S)-4,7-Dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide
D-1-(4-Chlorophenyl)-2-(acetamido)ethane boronic acid
L-1-(4-Chlorophenyl)-2-(acetamido)ethane boronic acid
5-[(Z)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]resorcinol
84-99-1
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
Wyerone
1-[3-Hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
4-amino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
N-1-Naphthalenyl-1,2-ethanediamine dihydrochloride
(3R)-7-hydroxy-alpha-dunnione
A natural product found in Streptocarpus dunnii.
3-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide
4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
C14H14N2O3 (258.10043740000003)
2-[(2-Furanylmethylthio)methyl]-5-methylimidazo[1,2-a]pyridine
N-(2-Pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3-[(2-methylpropyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
C14H14N2O3 (258.10043740000003)
3-Hydroxy-1-oxo-1-[2-(2,3,4-trihydroxybenzyl)hydrazinyl]propan-2-aminium
C10H16N3O5+ (258.10899059999997)
1-(2,5-Dihydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
O-Desmethylangolensin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.
SCD1/5-IN-1
SCD1/5-IN-1 (Compound 10) is a SCD1/5 inhibitor. SCD1/5-IN-1 can be used for research of neurological disease[1].