Exact Mass: 297.100103
Exact Mass Matches: 297.100103
Found 500 metabolites which its exact mass value is equals to given mass value 297.100103,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-methylthioadenosine (MTA)
5-Methylthioadenosine, also known as MTA or thiomethyladenosine, belongs to the class of organic compounds known as 5-deoxy-5-thionucleosides. These are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. 5-Methylthioadenosine is metabolized solely by MTA-phosphorylase, to yield 5-methylthioribose-1-phosphate and adenine, a crucial step in the methionine and purine salvage pathways, respectively. 5-Methylthioadenosine exists in all living species, ranging from bacteria to humans. 5-Methylthioadenosine (MTA) is a naturally occurring sulfur-containing nucleoside present in all mammalian tissues. Within humans, 5-methylthioadenosine participates in a number of enzymatic reactions. In particular, 5-methylthioadenosine and spermidine can be biosynthesized from S-adenosylmethioninamine and putrescine through the action of the enzyme spermidine synthase. In addition, 5-methylthioadenosine can be converted into 5-methylthioribose 1-phosphate and L-methionine; which is catalyzed by the enzyme S-methyl-5-thioadenosine phosphorylase. It is produced from S-adenosylmethionine mainly through the polyamine biosynthetic pathway, where it behaves as a powerful inhibitory product. For instance, 5-Methylthioadenosine has been shown to influence the regulation of gene expression, proliferation, differentiation, and apoptosis (PMID:15313459). In humans, 5-methylthioadenosine is involved in the metabolic disorder called hypermethioninemia. Outside of the human body, 5-Methylthioadenosine has been detected, but not quantified in several different foods, such as soursops, allspices, summer grapes, alaska wild rhubarbs, and breadfruits. Elevated excretion appears in children with severe combined immunodeficiency syndrome (SCID) (PMID:3987052). Evidence suggests that 5-Methylthioadenosine can affect cellular processes in many ways. 5-Methylthioadenosine can be found in human urine. 5-deoxy-5-methylthioadenosine, also known as S-methyl-5-thioadenosine or mta, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. 5-deoxy-5-methylthioadenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-deoxy-5-methylthioadenosine can be found in a number of food items such as allspice, sesame, roselle, and bayberry, which makes 5-deoxy-5-methylthioadenosine a potential biomarker for the consumption of these food products. 5-deoxy-5-methylthioadenosine can be found primarily in blood and urine, as well as in human fibroblasts, platelet and prostate tissues. 5-deoxy-5-methylthioadenosine exists in all living species, ranging from bacteria to humans. In humans, 5-deoxy-5-methylthioadenosine is involved in a couple of metabolic pathways, which include methionine metabolism and spermidine and spermine biosynthesis. 5-deoxy-5-methylthioadenosine is also involved in several metabolic disorders, some of which include glycine n-methyltransferase deficiency, methionine adenosyltransferase deficiency, homocystinuria-megaloblastic anemia due to defect in cobalamin metabolism, cblg complementation type, and hypermethioninemia. 5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2]. 5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2]. 5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2].
Albendazole sulfone
Albendazole sulfone is a metabolite of albendazole. Albendazole, marketed as Albenza, Eskazole, Zentel, Andazol and Alworm, is a member of the benzimidazole compounds used as a drug indicated for the treatment of a variety of worm infestations. Although this use is widespread in the United States, the U.S. Food and Drug Administration (FDA) has not approved albendazole for this indication. It is marketed by Amedra Pharmaceuticals. Albendazole was first discovered at the SmithKline Animal Health Laboratories in 1972. (Wikipedia) D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3647 CONFIDENCE standard compound; INTERNAL_ID 1059
Oripavine
C18H19NO3 (297.13648639999997)
Alkaloid from opium poppy (Papaver somniferum). Oripavine is found in many foods, some of which are redcurrant, teff, muscadine grape, and date. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Oripavine is an alkaloid from opium poppy (Papaver somniferum
neopinone
C18H19NO3 (297.13648639999997)
The beta,gamma-unsaturated ketone resulting from the hydrolysis of the methyl enol ether group of thebaine. It is a key intermediate in the biosynthesis of codeine and morphine in the opium poppy, Papaver somniferum.
Codeinone
C18H19NO3 (297.13648639999997)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Suavedol
C18H19NO3 (297.13648639999997)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime
C18H19NO3 (297.13648639999997)
Tuduranine
C18H19NO3 (297.13648639999997)
Musk xylene
Flavouring compound [Superscent]
6-nitrobenz(a)pyrene
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(±)-Aegeline
C18H19NO3 (297.13648639999997)
(±)-Aegeline is found in fruits. (±)-Aegeline is an alkaloid from the leaves of Aegle marmelos (bael). Alkaloid from the leaves of Aegle marmelos (bael). (±)-Aegeline is found in fruits. Aegeline, a main alkaloid, mimics the yeast SNARE protein Sec22p in suppressing α-synuclein and Bax toxicity in yeast. Aegeline restores growth of yeast cells suppressed by either αsyn or Bax. Antioxidant activity[1]. Aegeline, a main alkaloid, mimics the yeast SNARE protein Sec22p in suppressing α-synuclein and Bax toxicity in yeast. Aegeline restores growth of yeast cells suppressed by either αsyn or Bax. Antioxidant activity[1].
2-Methylguanosine
C11H15N5O5 (297.10731400000003)
2-Methylguanosine 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: 17336316, 17154124, 3506820, 17044778, 17264127) [HMDB] 2-Methylguanosine 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: 17336316, 17154124, 3506820, 17044778, 17264127). N2-methylguanosine is a modified nucleoside that occurs at several specific locations in many tRNA's. N2-methylguanosine is a modified nucleoside that occurs at several specific locations in many tRNA's.
Duloxetine
Duloxetine (brand names Cymbalta, Yentreve, and in parts of Europe, Xeristar or Ariclaim) is a drug which primarily targets major depressive disorder (MDD), generalized anxiety disorder (GAD), pain related to diabetic peripheral neuropathy and in some countries stress urinary incontinence (SUI). It is manufactured and marketed by Eli Lilly and Company. Duloxetine has not yet been FDA approved for stress urinary incontinence or for fibromyalgia. Duloxetine is a selective SNRI (selective serotonin-norepinephrine reuptake inhibitor). Duloxetine is a systemic drug therapy which affects the body as a whole. Known also under the code name LY248686, it is a potent dual reuptake inhibitor of serotonin (5-hydroxytryptamine, 5-HT) and norepinephrine (NE), possessing comparable affinities in binding to NE- and 5-HT transporter sites. It is a less potent inhibitor of dopamine reuptake. D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
1-Methylguanosine
C11H15N5O5 (297.10731400000003)
1-Methylguanosine is a methylated nucleoside. It is known that some modified, especially methylated, nucleosides originating from RNA degradation are excreted in abnormal levels in the urine of patients with malignant tumours. These nucleosides have been proposed as tumour markers. Their measurement could provide a non-invasive diagnostic method, help identify different cancers, and monitor any therapeutic effects (PMID:9129323). 1-Methylguanosine is a methylated nucleoside. It is known that some modified, especially methylated, nucleosides originating from RNA degradation are excreted in abnormal levels in the urine of patients with malignant tumours and they have been proposed as tumour markers. Their 1-Methylguanosine is a methylated nucleoside originating from RNA degradation. 1-Methylguanosine is a tumour marker[1]. 1-Methylguanosine is a methylated nucleoside originating from RNA degradation. 1-Methylguanosine is a tumour marker[1].
3'-O-Methylguanosine
C11H15N5O5 (297.10731400000003)
3-O-Methylguanosine 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, it 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] 3-O-Methylguanosine 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, it 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). 3'-O-Methylguanosine is a methylated nucleoside analogs and a RNA chain terminator. 3'-O-methylguanosine can inhibit early virus-specific RNA synthesis[1].
(±)-Clausenamide
C18H19NO3 (297.13648639999997)
Neoclausenamide is found in fruits. Neoclausenamide is isolated from Clausena lansium (wampee). Isolated from the leaves of Clausena lansium (wampee). (±)-Clausenamide is found in fruits.
(S)-Annocherine A
(R)-Annocherine A is found in fruits. (R)-Annocherine A is an alkaloid from the leaves of Annona cherimola (cherimoya).
Lansamide 3
C18H19NO3 (297.13648639999997)
Lansamide 3 is found in fruits. Lansamide 3 is a constituent of Clausena lansium (wampee) Constituent of Clausena lansium (wampee). Lansamide 3 is found in fruits.
(+)-Erythraline
C18H19NO3 (297.13648639999997)
(+)-Erythraline is found in green vegetables. (+)-Erythraline is an alkaloid from Erythrina glauca (gallito) Alitretinoin (9-cis-retinoic acid) is a naturally-occurring endogenous retinoid indicated for topical treatment of cutaneous lesions in patients with AIDS-related Kaposis sarcoma. Alitretinoin inhibits the growth of Kaposis sarcoma (KS) cells in vitro. Retinoic acid is the oxidized form of Vitamin A. It functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately control anterior/posterior patterning in early developmental stages. Retinoic acid acts by binding to heterodimers of the retinoic acid receptor (RAR) and the retinoid X receptor (RXR), which then bind to retinoic acid response elements (RAREs) in the regulatory regions of direct targets (including Hox genes), thereby activating gene transcription. Retinoic acid receptors mediate transcription of different sets of genes of cell differentiation, thus it also depends on the target cells. (+)-Erythraline is one of the target genes is the gene of the retinoic acid receptor itself which occurs during positive regulation. Control of retinoic acid levels is maintained by a suite of proteins. Retinoic acid is the oxidized form of Vitamin A. It functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately controls anterior/posterior patterning in early developmental stages (PMID: 17495912). It is an important regulator of gene expression during growth and development, and in neoplasms. Tretinoin, also known as retinoic acid and derived from maternal vitamin A, is essential for normal growth and embryonic development. (+)-Erythraline is an excess of tretinoin can be teratogenic. It is used in the treatment of psoriasis; acne vulgaris; and several other skin diseases. It has also been approved for use in promyelocytic leukemia (leukemia, promyelocytic, acute)
Nelarabine
C11H15N5O5 (297.10731400000003)
Nelarabine is only found in individuals that have used or taken this drug. It is a chemotherapy drug used in T-cell acute lymphoblastic leukemia. Nelarabine is a purine nucleoside analog converted to its corresponding arabinosylguanine nucleotide triphosphate (araGTP), resulting in inhibition of DNA synthesis and cytotoxicity.Once nelarabine is metabolized into ara-GTP, the metabolite accumulates in leukemic blasts and incorporates into DNA to exert its S phase-specific cytotoxic effects, leading to the induction of fragmentation and apoptosis. Ara-GTP competes with endogenous deoxyGTP (dGTP) for incorporation into DNA. Once ara-GTP is incorporated at the 3 end of DNA, further DNA elongation is inhibited, which signals apoptosis and leads to cellular destruction. Additional cytotoxic activities may exist, but these are not fully understood. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite Nelarabine (506U78) is a nucleoside analogue and can be used for the research of T cell acute lymphoblastic leukemia (T-ALL)[1].
Phenethylamine glucuronide
Phenethylamine glucuronide is a natural human metabolite of Phenethylamine generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Phenethylamine glucuronide is a natural human metabolite of Phenethylamine generated in the liver by UDP glucuonyltransferase.
Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one
C13H15NO7 (297.08484799999997)
Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one is found in cereals and cereal products. Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one is isolated from the roots of oats (Avena sativa) and corn (Zea mays). Isolated from the roots of oats (Avena sativa) and corn (Zea mays). Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one is found in oat and cereals and cereal products.
2'-C-Methylguanosine
C11H15N5O5 (297.10731400000003)
Glaziovine
C18H19NO3 (297.13648639999997)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
N-(3-Pyrene)maleimide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D004791 - Enzyme Inhibitors
(2R,5S)-2-(6-Aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
C16H12FN3S (297.07359240000005)
Calcium diglutamate
Flavour enhancer; salt substitute. Calcium diglutamate, sometimes abbreviated CDG and also called calcium glutamate, is a compound with formula Ca(C5H8NO4)2. It is a calcium acid salt of glutamic acid. CDG is a flavor enhancer (E number E623) ? it is the calcium analog of monosodium glutamate (MSG). Because the glutamate is the actual flavor-enahancer, DCG has the same flavor-enhancing properties as MSG, but without the increased sodium content. As a soluble source of calcium ions, this chemical is also used as a first-aid treatment for exposure to hydrofluoric acid. Flavour enhancer; salt substitute
codeinone
C18H19NO3 (297.13648639999997)
Codeinone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Codeinone can be found in a number of food items such as japanese chestnut, leek, squashberry, and redcurrant, which makes codeinone a potential biomarker for the consumption of these food products. Codeinone is 1/3 as active as codeine as an analgesic but it is an important intermediate in the production of hydrocodone, a painkiller about 3/4 the potency of morphine; as well as of oxycodone. The latter can also be synthesized from thebaine, however .
Fe(II)-nicotianamine
Fe(ii)-nicotianamine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Fe(ii)-nicotianamine can be found in a number of food items such as chanterelle, amaranth, bitter gourd, and brazil nut, which makes fe(ii)-nicotianamine a potential biomarker for the consumption of these food products.
neopinone
C18H19NO3 (297.13648639999997)
Neopinone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Neopinone can be found in a number of food items such as root vegetables, fig, green bean, and cucurbita (gourd), which makes neopinone a potential biomarker for the consumption of these food products.
Stepharine
C18H19NO3 (297.13648639999997)
An isoquinoline alkaloid with formula C18H19NO3 that is isolated from several species of Stephania. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Aporphine alkaloids, Proaporphine alkaloids Stepharine is a natural product found in Cocculus, Cocculus laurifolius, and other organisms with data available.
2-O-methylguanosine
C11H15N5O5 (297.10731400000003)
Guanosine with the hydrogen on the hydroxyl at position C-2 substituted with a methyl group. CONFIDENCE standard compound; INTERNAL_ID 318 2'-O-Methylguanosine is a modified nucleoside produced in tRNAs by the action of tRNA guanosine-2’-O-methyltransferase. 2'-O-Methylguanosine results in apoptotic changes of cells[1][2].
Triglycidyl isocyanurate
D000970 - Antineoplastic Agents Triglycidyl isocyanurate (TGIC; Teroxirone) is a triazene triepoxide with antiangiogenic and antineoplastic activities. Triglycidyl isocyanurate inhibits the growth of non-small-cell-lung cancer cells via?p53 activation. Triglycidyl isocyanurate induces cell apoptosis. Triglycidyl isocyanurate can be used for cancer research[1][2].
N-[(2-Chloro-6-fluorobenzyl)oxy]-2-cyano-3-(dimethylamino)acrylamide
Ethyl 2-cyano-3-[(6-methoxy-8-quinolyl)amino]acrylate
7-Methylguanosine
C11H15N5O5 (297.10731400000003)
4xi-hydroxy-(1rC2)-spiro[cyclohexane-1,1-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-2-one|scortechiniine B
(+-)-northebaine|(+/-)-Northebain|4,5alpha-epoxy-3,6-dimethoxy-morphina-6,8(14)-diene|Northebain|northebaine|rac-4,5alpha-epoxy-3,6-dimethoxy-morphina-6,8(14)-diene|Thebain
C18H19NO3 (297.13648639999997)
L-glutamic acid 5-[(2,4-dimethoxyphenyl)-hydrazide]
N-(4-hydroxy-3-methoxybenzoyl)-glutamic acid
C13H15NO7 (297.08484799999997)
(E, E, E)-1-Piperettylpyrrolidine|1-piperettyl pyrrolidine|1-[1-Oxo-7(3,4-methylenedioxyphenyl)-2E,4E,6E-heptatrienyl]pyrrolidine|1-[1-oxo-7-(3,4-methylenedioxyphenyl)-2E,4E,6E-heptatrienyl]-pyrrolidine|N-pyrrolidyl-7-(3,4-methylenedioxyphenyl)hepta-2,4,6-trienamide
C18H19NO3 (297.13648639999997)
2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol|Isothebaidin
C18H19NO3 (297.13648639999997)
4-hydroxyphenylethanamide-alpha-L-rhamnopyranoside|marumoside A
dimethyl 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]pentanedioate
2-benzyl-5-hydroxy-3-methyl-6-phenyl-1,3-oxazinan-4-one|claulansamide A
C18H19NO3 (297.13648639999997)
S-(+)-1-hydroxy-2,9-dimethoxynoraporphine
C18H19NO3 (297.13648639999997)
3-O-beta-glucopyranosyl-benzoxazolin-2(3H)-one|benzoxazolin-2(3H)-one-N-beta-glucopyranoside
C13H15NO7 (297.08484799999997)
9-Hydroxy-1,2-dimethoxy-noraporphin
C18H19NO3 (297.13648639999997)
(-)-Roemeronin|(1S)-3-methyl-(1rC2,2ac)-2a,3,4,5-tetrahydro-2H-spiro[cyclohex-2-ene-1,1-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one|remeronine|Roemeronin|roemeronine
C18H19NO3 (297.13648639999997)
L-Clausenamide
C18H19NO3 (297.13648639999997)
L-Clausenamide is a natural product found in Clausena lansium with data available.
Nelarabine
C11H15N5O5 (297.10731400000003)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite Nelarabine (506U78) is a nucleoside analogue and can be used for the research of T cell acute lymphoblastic leukemia (T-ALL)[1].
Methylthioadenosine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents Adenosine with the hydroxy group at C-5 substituted with a methylthio (methylsulfanyl) group. COVID info from COVID-19 Disease Map D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2]. 5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2]. 5'-(Methylthio)adenosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2457-80-9 (retrieved 2024-11-05) (CAS RN: 2457-80-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
C18H19NO3 (297.13648639999997)
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate
Duloxetine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 2735 CONFIDENCE standard compound; INTERNAL_ID 8509
1-methylguanosine
C11H15N5O5 (297.10731400000003)
Guanosine substituted with a methyl group at position N-1. 1-Methylguanosine is a methylated nucleoside originating from RNA degradation. 1-Methylguanosine is a tumour marker[1]. 1-Methylguanosine is a methylated nucleoside originating from RNA degradation. 1-Methylguanosine is a tumour marker[1].
3-O-Methylguanosine
C11H15N5O5 (297.10731400000003)
Guanosine with the hydrogen on the hydroxyl at position C-3 substituted with a methyl group. 3'-O-Methylguanosine is a methylated nucleoside analogs and a RNA chain terminator. 3'-O-methylguanosine can inhibit early virus-specific RNA synthesis[1].
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate
N-Methylguanosine
C11H15N5O5 (297.10731400000003)
CONFIDENCE standard compound; INTERNAL_ID 319 N2-methylguanosine is a modified nucleoside that occurs at several specific locations in many tRNA's. N2-methylguanosine is a modified nucleoside that occurs at several specific locations in many tRNA's.
Albendazole sulfone
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based on: CCMSLIB00000845287]
C18H19NO3 (297.13648639999997)
(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based: Match]
C18H19NO3 (297.13648639999997)
Methylthioadenosine
5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2]. 5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2]. 5'-Methylthioadenosine (5'-(Methylthio)-5'-deoxyadenosine) is a nucleoside generated from S-adenosylmethionine (SAM) during polyamine synthesis[1]. 5'-Methylthioadenosine suppresses tumors by inhibiting tumor cell proliferation, invasion, and the induction of apoptosis while controlling the inflammatory micro-environments of tumor tissue. 5'-Methylthioadenosine and its associated materials have striking regulatory effects on tumorigenesis[2].
7-Methylguanosine; AIF; CE0; CorrDec
C11H15N5O5 (297.10731400000003)
7-Methylguanosine; AIF; CE10; CorrDec
C11H15N5O5 (297.10731400000003)
7-Methylguanosine; AIF; CE30; CorrDec
C11H15N5O5 (297.10731400000003)
7-Methylguanosine; AIF; CE0; MS2Dec
C11H15N5O5 (297.10731400000003)
7-Methylguanosine; AIF; CE10; MS2Dec
C11H15N5O5 (297.10731400000003)
7-Methylguanosine; AIF; CE30; MS2Dec
C11H15N5O5 (297.10731400000003)
N2-Methylguanosine; AIF; CE0; CorrDec
C11H15N5O5 (297.10731400000003)
N2-Methylguanosine; AIF; CE10; CorrDec
C11H15N5O5 (297.10731400000003)
N2-Methylguanosine; AIF; CE30; CorrDec
C11H15N5O5 (297.10731400000003)
N2-Methylguanosine; AIF; CE0; MS2Dec
C11H15N5O5 (297.10731400000003)
N2-Methylguanosine; AIF; CE10; MS2Dec
C11H15N5O5 (297.10731400000003)
N2-Methylguanosine; AIF; CE30; MS2Dec
C11H15N5O5 (297.10731400000003)
N1-Methylguanosine; AIF; CE0; CorrDec
C11H15N5O5 (297.10731400000003)
N1-Methylguanosine; AIF; CE10; CorrDec
C11H15N5O5 (297.10731400000003)
N1-Methylguanosine; AIF; CE30; CorrDec
C11H15N5O5 (297.10731400000003)
N1-Methylguanosine; AIF; CE0; MS2Dec
C11H15N5O5 (297.10731400000003)
N1-Methylguanosine; AIF; CE10; MS2Dec
C11H15N5O5 (297.10731400000003)
N1-Methylguanosine; AIF; CE30; MS2Dec
C11H15N5O5 (297.10731400000003)
Oripavine
C18H19NO3 (297.13648639999997)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids A morphinane alkaloid with formula C18H19NO3. It is the major metabolite of thebaine.
Erythraline
C18H19NO3 (297.13648639999997)
Mebendazole metabolite (Carbamic acid, [5-(hydroxyphenylmethyl)-1H-benzimidazol-2-yl]-, methyl ester
3-OMG
C11H15N5O5 (297.10731400000003)
3'-O-Methylguanosine is a methylated nucleoside analogs and a RNA chain terminator. 3'-O-methylguanosine can inhibit early virus-specific RNA synthesis[1].
L-Menthone 1,2-glycerol ketal
C16H15N3OS (297.09357800000004)
(±)-Aegeline
C18H19NO3 (297.13648639999997)
1-(2-hydroxyphenylamino)-1-Deoxyglucoside 1,2-carbamate
C13H15NO7 (297.08484799999997)
Clausenamide
C18H19NO3 (297.13648639999997)
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
C18H19NO3 (297.13648639999997)
5-(2-Methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
6-NITRO-3-PHENYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
[2-(4-BENZYLOXY-PHENYL)-THIAZOL-4-YL]-METHANOL
C17H15NO2S (297.08234500000003)
1-BENZYL-5-(4-CHLOROPHENYL)-2,3-DIHYDRO-4-PYRIDINONE
C18H16ClNO (297.09203560000003)
5-OXO-1-(4-PHENOXYPHENYL)PYRROLIDINE-3-CARBOXYLICACID
n-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenecarboximidamide
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
C18H19NO3 (297.13648639999997)
4-(4-CHLORO-PHENYL)-1,4-DIHYDRO-BENZO[4,5]IMIDAZO[1,2-A][1,3,5]TRIAZIN-2-YLAMINE
b-D-Glucopyranose,2-deoxy-2-[[(4-methoxyphenyl)methylene]amino]-
(S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
Ethyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
tert-Butyl 4-(6-chloropyridin-3-yl)piperazine-1-carboxylate
4-Amino-5-chloro-2-methoxy-N-((piperidin-4-yl)methyl)benzamide
4-[4-(BENZYLOXY)PHENYL]-5-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
C16H15N3OS (297.09357800000004)
PHENYL2-AZIDO-2-DEOXY-1-THIO-BETA-D-GLUCOPYRANOSIDE
4-(BENZYLOXY)-2-(CHLOROMETHYL)-3-METHYLQUINOLINE
C18H16ClNO (297.09203560000003)
4-BROMO-N,N-DIISOPROPYL-3-METHYLBENZAMIDE
C14H20BrNO (297.07281700000004)
N-Methyl-4-Benzenesulfonamideboronic Acid Pinacol Ester
C13H20BNO4S (297.1206030000001)
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol
4-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine
TRANS-TERT-BUTYL 3-FLUORO-4-(METHYLSULFONYLOXY)PIPERIDINE-1-CARBOXYLATE
CIS-TERT-BUTYL 3-FLUORO-4-(METHYLSULFONYLOXY)PIPERIDINE-1-CARBOXYLATE
2-Methanesulfonylaminophenylboronic acid, pinacol ester
C13H20BNO4S (297.1206030000001)
2-(2-METHOXYPHENYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
Methyl N-[(benzyloxy)carbonyl]-L-methioninate
C14H19NO4S (297.10347340000004)
2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLIC ACID
2-((tert-Butyldimethylsilyloxy)methyl)-6-chlorofuro[3,2-b]pyridine
6-(3,5-Dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
C14H19NO4S (297.10347340000004)
2-TERT-BUTOXYCARBONYLAMINO-4,5-DIMETHOXYBENZOIC ACID
SKF 86002
C16H12FN3S (297.07359240000005)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors
N-(1-pyrene)maleimide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D004791 - Enzyme Inhibitors
Tetraammineplatinum(II) hydroxide hydrate (59\\% Pt)
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
(R)-TERT-BUTYL (4-CHLORO-3-OXO-1-PHENYLBUTAN-2-YL)CARBAMATE
Ethyl 1-benzyl-5-hydroxy-1,2,3,6-tetrahydro-4-pyridinecarboxylate hydrochloride (1:1)
Isopropyl-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate-1,1-dioxide
(S)2,3-DIHYDRO-INDOLE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER
2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate
(5-TRIFLUOROMETHYL-PYRIDIN-3-YL)-METHANOL
C18H19NO3 (297.13648639999997)
3-(4-Fluorophenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carboxamide
1-(MESITYLSULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID
C14H19NO4S (297.10347340000004)
1H-Indole-2-carboxylicacid, 5-methoxy-6-(phenylmethoxy)-
ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
(S)-N-1-BOC-N-4-CBZ-2-PIPERAZINECARBOXYLICACID
C19H20ClN (297.12841900000006)
tert-butyl 4-benzoylphenylcarbamate
C18H19NO3 (297.13648639999997)
5-(3-chlorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile
1,3,4-Triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene
2-[(4-methylbenzoyl)amino]ethyl 4-methylbenzoate
C18H19NO3 (297.13648639999997)
4-(toluene-4-sulfonylamino)-cyclohexanecarboxylic acid
C14H19NO4S (297.10347340000004)
1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
ETHYL 2-(PYRIDIN-2-YL)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
5-[(Phenoxycarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
8-acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one
1,3-dimethyl-2-fluoropyridinium toluene-4-sulfonate
tert-butyl N-[2-amino-2-(4-cyanophenyl)ethyl]carbamate,hydrochloride
tert-butyl N-[2-amino-2-(2-cyanophenyl)ethyl]carbamate
tert-butyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
3-(METHANESULFONYLAMINO)PHENYLBORONIC ACID PINACOL ESTER
C13H20BNO4S (297.1206030000001)
3-METHYL-5-METHOXYCARBONYL-1-BENZYL-4-PIPERIDONE HYDROCHLORIDE
2-[4-(6-CHLORO-1,3-BENZOTHIAZOL-2-YL)PIPERAZINO]ETHAN-1-OL
5-(2-METHOXYPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
C16H15N3OS (297.09357800000004)
4-(Chloromethyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
2-isonicotinoyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Ethyl 4-(4-aminophenoxy)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
2H-3-Benzazepin-2-one, 3-(3-chloropropyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-
5-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-pyridinamine
N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)benzamide
Propanedioic acid,2-[[(2-chlorophenyl)amino]methylene]-, 1,3-diethyl ester
4,5,7-tri-o-acetyl-2,6-anhydro-3-deoxy-d-lyxo-hept-2-enononitrile,
C13H15NO7 (297.08484799999997)
1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium inner salt
C13H19N3O3S (297.11470640000005)
n-[6,9-dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-oxo-1h-purin-2-yl]acetamide
C11H15N5O5 (297.10731400000003)
Methapyrilene Hydrochloride
C14H20ClN3S (297.10663900000003)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
diethyl 2-[(4-chloroanilino)methylidene]propanedioate
Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride
Tritiozine
C14H19NO4S (297.10347340000004)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent Trithiozine is an orally active antisecretory and antiulcer agent. Trithiozine can be used for the research of peptic ulcer disease and hypersecretory disorders[1].
8-(2R)-Oxiranyl-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one
Vaborbactam
C12H16BNO5S (297.08421960000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors C2140 - Adjuvant > C183118 - Beta-lactamase Inhibitor D004791 - Enzyme Inhibitors
(2Z)-5,6-Dimethoxy-2-[(1-oxido-4-pyridinyl)methylene]-1-indanone
Toluene-4-sulfonic acid (S)-1-acetyl-pyrrolidin-2-ylMethyl ester
C14H19NO4S (297.10347340000004)
1-Piperazinecarboxylic acid, 4-(2-chloro-4-pyridinyl)-, 1,1-dimethylethyl ester
2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]acetic acid
2-(3-CARBOXY-PROPIONYLAMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
(2-benzylidene-3-oxo-benzofuran-6-yl) acetate
C12H16ClN5O2 (297.09924659999996)
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
2-AMINO-3-CARBAMOYL-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER
C13H19N3O3S (297.11470640000005)
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-4-carboxylic acid
2,3-dimethoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
4-(5-Formyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
C13H19N3O3S (297.11470640000005)
Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
C19H20ClN (297.12841900000006)
(2R,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
C18H19NO3 (297.13648639999997)
1-(((4-NITROPHENOXY)CARBONYL)OXY)ETHYL ISOBUTYRATE
C13H15NO7 (297.08484799999997)
Tanaproget
C16H15N3OS (297.09357800000004)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
Bimoclomol
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent
Teroxirone
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
Afegostat tartrate
C10H19NO9 (297.10597640000003)
C87006 - Pharmacological Chaperone
5-Methylthioformycin
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins
beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
N,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-3-carboxamide
3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
C16H15N3OS (297.09357800000004)
N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
1-(2,4-Dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
C16H15N3OS (297.09357800000004)
3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
6-(2,6-Dimethoxyphenyl)pyrido[2,3-D]pyrimidine-2,7-Diamine
(2s)-2-(4-Chlorophenyl)-2-[4-(1h-Pyrazol-4-Yl)phenyl]ethanamine
(2r)-2-(4-Chlorophenyl)-2-[4-(1h-Pyrazol-4-Yl)phenyl]ethanamine
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
C18H19NO3 (297.13648639999997)
(2s)-4-(4-Fluorobenzyl)-N-(2-Sulfanylethyl)piperazine-2-Carboxamide
C14H20FN3OS (297.13110420000004)
3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-D]pyrimidin-7-YL)pyrrolidinium
C12H17N4O3S+ (297.10213120000003)
(1S)-1-(9-Deazaadenin-9-YL)-1,4,5-trideoxy-1,4-imino-5-methylthio-D-ribitol
(2S)-2-amino-5-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-oxopentanoic acid
(E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoate
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
C11H15N5O5 (297.10731400000003)
4H-Dibenzo(de,g)quinolin-3-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)-
C18H19NO3 (297.13648639999997)
5-Methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
C16H15N3OS (297.09357800000004)
2-[(2-hydroxy-3-methoxyphenyl)methylene]-N-(3-methoxypropyl)hydrazine-1-carbothioamide
C13H19N3O3S (297.11470640000005)
5-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
C16H15N3OS (297.09357800000004)
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
(7-Methoxy-2-benzofuranyl)-(4-nitrophenyl)methanone
2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione
4-(4-Chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone
8-(1H-indol-3-ylmethylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione
4-Amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile
C16H15N3OS (297.09357800000004)
3-(3-methoxyphenyl)-N-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide
1-(4-Methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
2-[(2,5-Dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
C16H15N3OS (297.09357800000004)
(Z)-4-[3-(benzylamino)phenyl]-2-hydroxy-4-oxo-but-2-enoic acid
N-(2-furanylmethyl)-5-methyl-4-phenyl-3-thiophenecarboxamide
C17H15NO2S (297.08234500000003)
3-[(3-chlorophenyl)methylthio]-N-cyclopentylpropanamide
2-(3-imidazo[1,5-a]pyridinylthio)-N-(4-methylphenyl)acetamide
C16H15N3OS (297.09357800000004)
N-{[(4-methyl-2-pyridinyl)amino]carbonothioyl}-3-phenylacrylamide
C16H15N3OS (297.09357800000004)
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid ethyl ester
C13H19N3O3S (297.11470640000005)
Methyl 2-[(2-methoxyacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C14H19NO4S (297.10347340000004)
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine
methyl 2-[(butoxycarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
C14H19NO4S (297.10347340000004)
2-((2-Isopropylphenyl)thio)isoindoline-1,3-dione
C17H15NO2S (297.08234500000003)
1-[(6-chloro-2-imidazo[1,2-a]pyridinyl)methyl]-3,4-dihydro-2H-quinoline
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenyl-2-pyrazinecarboxamide
N-methyl-N-[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
6-hydroxy-2-methyl-5-(1H-tetraazol-5-ylcarbonyl)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
2-(D-alanylamino)-N-[(1S)-1-hydroxy-3-mercaptopropyl]benzamide
C13H19N3O3S (297.11470640000005)
3-[(E)-(2-fluorophenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione
C16H12FN3S (297.07359240000005)
(5Z)-5-[(2E)-3-(phenylamino)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Ethyl 2-cyano-3-[(6-methoxyquinolin-8-yl)amino]prop-2-enoate
4-[[6,7-Bis(hydroxymethyl)-4-quinazolinyl]amino]phenol
4-({[3,5-Dimethyl-4-(methylthio)phenoxy]carbonyl}amino)butanoic acid
C14H19NO4S (297.10347340000004)
(4R,7aR,12bS)-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
C18H19NO3 (297.13648639999997)
2-Amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
C16H13N2O4- (297.08752780000003)
3-[(Diethoxyphosphinyl)methyl]-5-phenyl-2-isoxazoline
phenyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide having phenyl as the anomeric substituent.
N(2)-Methylguanosine
C11H15N5O5 (297.10731400000003)
Guanosine with the hydrogen on the amine at position N-2 substituted with a methyl group.
Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one
C13H15NO7 (297.08484799999997)
N-Methyl-gamma-(1-naphthalenyloxy)-2-thiophenepropanamine
R-(-)-3-hydroxynornuciferine
C18H19NO3 (297.13648639999997)
A natural product found in Annona glabra.
1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol
C18H19NO3 (297.13648639999997)
phenyl N-acetyl-alpha-D-glucosaminide
An N-acetyl-alpha-D-glucosaminide having phenyl as the anomeric substituent.
fusarithioamide A
C13H19N3O3S (297.11470640000005)
A member of the class of benzamides that is 2-aminobenzoic acid in which the hydrogen atom of the carboxy group has been substituted by a [(1S)-1-hydroxy-3-mercaptopropyl]nitrilo group and in which one of the the hydrogens of the amino group has been substituted by a (2R)-2-aminopropanoyl group. It is a metabolite isolated from the endophytic fungus, Fusarium chlamydosporium.
(8R)-13-methoxy-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,14-diol
C18H19NO3 (297.13648639999997)
6-O-Methyl Guanosine
C11H15N5O5 (297.10731400000003)
6-O-Methyl Guanosine is a modified nucleoside[1]. 6-O-Methyl Guanosine (6-methylguanosine) inhibit colony-forming ability in a malignant xeroderma pigmentosum cell line[2].
7-Methylguanosine
C11H15N5O5 (297.10731400000003)
7-Methylguanosine is a novel cNIIIB nucleotidase inhibitor with IC50 value of 87.8?±?7.5?μM. 7-Methylguanosine is a novel cNIIIB nucleotidase inhibitor with IC50 value of 87.8?±?7.5?μM.
(1r,5s,13s)-10,14-dimethoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),14,16-pentaene
C18H19NO3 (297.13648639999997)
15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-14-ol
C18H19NO3 (297.13648639999997)
(2e)-n-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enimidic acid
C18H19NO3 (297.13648639999997)
4-{5-[(4-hydroxyphenyl)methyl]-1,2,4-triazol-1-yl}-3-methoxyphenol
3,4,5-trihydroxy-6-methyloxan-2-yl 2-(methylamino)benzoate
(12bs)-10-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-4,11-diol
C18H19NO3 (297.13648639999997)
(4's)-11'-hydroxy-10'-methoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one
C18H19NO3 (297.13648639999997)
(2s)-2-{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}pentanedioic acid
C13H15NO7 (297.08484799999997)
10'-hydroxy-11'-methoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one
C18H19NO3 (297.13648639999997)
n-[(2s)-1-butoxy-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzenecarboximidic acid
11'-methyl-3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1'(15'),2,2'(6'),7'-tetraen-4-one
C18H19NO3 (297.13648639999997)
14-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),14,16-pentaen-10-ol
C18H19NO3 (297.13648639999997)
10',11'-dimethoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one
C18H19NO3 (297.13648639999997)
(3r,4r,5s)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
C18H19NO3 (297.13648639999997)
10-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-2,11-diol
C18H19NO3 (297.13648639999997)
(3r,4s,5r,6r,10z)-3,4,6-trihydroxy-2-methoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
(3r,4r,5s,6r,10z)-3,4,6-trihydroxy-2-methoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
3-(4-hydroxy-3,5-dimethoxybenzylidene)-2-indolinone
{"Ingredient_id": "HBIN007476","Ingredient_name": "3-(4-hydroxy-3,5-dimethoxybenzylidene)-2-indolinone","Alias": "NA","Ingredient_formula": "C17H15NO4","Ingredient_Smile": "NA","Ingredient_weight": "297.31","OB_score": "NA","CAS_id": "189098-75-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8488","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-D-Arabinofuranosyladenine
C11H15N5O5 (297.10731400000003)
{"Ingredient_id": "HBIN015484","Ingredient_name": "alpha-D-Arabinofuranosyladenine","Alias": "(2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; Adenine, 9-alpha-D-arabinofuranosyl-; (2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 9-alpha-D-Arabinofuranosyladenine; NSC 70422; 6936-84-1; AIDS023910; NSC 40584; 9H-Purin-6-amine, 9-alpha-D-arabinofuranosyl- (9CI); (2S,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; Adenine, 9-alpha-D-arabinofuranosyl- (8CI); (2S,3S,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS-023910","Ingredient_formula": "C11H15N5O5","Ingredient_Smile": "C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N","Ingredient_weight": "297.27","OB_score": "20.89729146","CAS_id": "6936-84-1","SymMap_id": "SMIT12080","TCMID_id": "NA","TCMSP_id": "MOL011145","TCM_ID_id": "NA","PubChem_id": "96368","DrugBank_id": "NA"}
annocherine a
{"Ingredient_id": "HBIN016208","Ingredient_name": "annocherine a","Alias": "NA","Ingredient_formula": "C17H15NO4","Ingredient_Smile": "COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)O)O)O","Ingredient_weight": "297.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1298","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "637078","DrugBank_id": "NA"}
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1h-indol-2-one
3,4,6-trihydroxy-2-methoxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-azaspiro[4.5]dec-8-ene-1,7-dione
(2z,4z)-2-ethylidene-5-hydroxy-4-({4-methoxy-1h,1'h-[2,2'-bipyrrol]-5-yl}methylidene)pyrrol-3-one
(1r,4r,5s)-4-(2-chloroethyl)-1-(cyclohex-2-en-1-ylmethyl)-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
(1r,4r,5s)-4-(2-chloroethyl)-1-[(1r)-cyclohex-2-en-1-ylmethyl]-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
(3ar,7as)-3a-hydroxy-1-[(2e)-3-phenylprop-2-enoyl]-7,7a-dihydro-3h-indole-2,6-dione
2-amino-4-[(2,4-dimethoxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid
1-[(r)-hydroxy(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
(1s,4r)-4,11'-dihydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,4'(12'),5',7',9'-hexaen-3'-one
(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyl-4-sulfanyloxolan-3-ol
2-(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)ethanimidic acid
(2r,3r,4s,5r)-2-(6-amino-2-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
C11H15N5O5 (297.10731400000003)
4-hydroxy-12,17-dimethyl-13-oxa-16-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(17),3,5,7,10-pentaene-2,9-dione
(1s,4s)-4-hydroxy-3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1'(15'),2'(6'),7',9',11'-pentaen-13'-one
(3e)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-ol
2-[6-hydroxy-2-(methylimino)-3h-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
C11H15N5O5 (297.10731400000003)
(3r,4r,5s,6s,10z)-3,4,6-trihydroxy-2-methoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-(1-hydroxyethyl)-4-sulfanyloxolan-3-ol
(2s)-2-amino-4-[(2,4-dimethoxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid
(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 2-(methylamino)benzoate
(3s,4r,5s,6s,10z)-3,4,6-trihydroxy-2-methoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
(1r,4s)-4,11'-dihydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,4'(12'),5',7',9'-hexaen-3'-one
3,4,6-trihydroxy-2-methoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
3,4,5-trihydroxy-6-methyloxan-2-yl 4-(methylamino)benzoate
(13s)-2,6,8-trioxa-14-azapentacyclo[11.7.1.0³,¹¹.0⁵,⁹.0¹⁷,²¹]henicosa-1(21),3,5(9),10,17,19-hexaen-20-ol
2-{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}pentanedioic acid
C13H15NO7 (297.08484799999997)