Exact Mass: 259.0561
Exact Mass Matches: 259.0561
Found 500 metabolites which its exact mass value is equals to given mass value 259.0561,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucosamine 6-phosphate
Glucosamine 6-phosphate (CAS: 3616-42-0) is normally produced in endothelial cells via de novo glucosamine synthesis by the enzyme fructose-6-phosphate amidotransferase and the modulation of this pathway by hyperglycemia and glutamine. Glutamine-fructose-6-phosphate amidotransferase (GFAT) catalyzes the first committed step in the pathway for biosynthesis of hexosamines in mammals.It is a member of the N-terminal nucleophile class of amidotransferases, GFAT transfers the amino group from the L-glutamine amide to D-fructose 6-phosphate, producing glutamic acid and glucosamine 6-phosphate. As glucosamine inhibits endothelial nitric oxide synthesis it has important implications for impaired endothelium-dependent relaxation and vascular dysfunction in diabetes mellitus (PMID:11270676, 11842094). Glucosamine 6-phosphate is normally produced in endothelial cells via the de novo glucosamine synthesis by the enzyme fructose-6-phosphate amidotransferase and the modulation of this pathway by hyperglycemia and glutamine. glutamine-fructose-6-phosphate amidotransferase (GFAT) catalyzes the first committed step in the pathway for biosynthesis of hexosamines in mammals. A member of the N-terminal nucleophile class of amidotransferases, GFAT transfers the amino group from the L-glutamine amide to D-fructose 6-phosphate, producing glutamic acid and glucosamine 6-phosphate. As glucosamine inhibits endothelial nitric oxide synthesis it has important implications for impaired endothelium-dependent relaxation and vascular dysfunction in diabetes mellitus. (PMID 11270676, 11842094) [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G021; [MS2] KO008968 KEIO_ID G021
Glucosamine-1P
Glucosamine-1P is a substrate of enzyme UDP-N-acetylglucosamine diphosphorylase [EC 2.7.7.23] (KEGG). [HMDB] Glucosamine-1P is a substrate of enzyme UDP-N-acetylglucosamine diphosphorylase [EC 2.7.7.23] (KEGG). KEIO_ID G065
Skimmianine
Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
N-Sulfo-D-glucosamine
N-Sulfo-D-glucosamine is a structurally altered form of N-acetyl-D-glucosamine (a polysaccharide found in animal tissues) by heparan sulfate N-deacetylase /N-sulfotransferase enzymes. No human references found [HMDB]
scyllo-Inosamine 4-phosphate
Aminofructose 6-phosphate
This compound belongs to the family of Pentose Phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
Arminum
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors Same as: D01591
Pyrazofurin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2170 - Orotidylate Decarboxylase Inhibitor D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
D-Galactosamine 6-phosphate
A galactosamine phosphate that is D-galactosamine substituted at position 1 by a monophosphate group.
Skimmianine
Skimmianine is an organonitrogen heterocyclic compound, an organic heterotricyclic compound, an oxacycle and an alkaloid antibiotic. Skimmianine is a natural product found in Haplophyllum bucharicum, Haplophyllum cappadocicum, and other organisms with data available. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
Glucosamine 6-sulfate
Glucosamine 6-sulfate is a naturally occurring compound present in many of the bodys tissues, and belongs to a class of compounds known as glycosaminoglycans (GAGs). Glucosamine 6-sulfate is being used in the treatment of arthritis. Glucosamine for arthritis products is usually formulated as the hydrochloride salt or glucosamine sulfate and often combined with chondroitin sulphate. It is notable that while both the hydrochloride salt and glucosamine sulfate are used in pharmaceutical preparations, glucosamine sulfate is thought to have a higher biological activity due to the presence of the sulfate. It should also be noted that there is a large cost difference between the two salts, with the hydrochloride salt being significantly less expensive. (PMID: 15925239) [HMDB] Glucosamine 6-sulfate is a naturally occurring compound present in many of the bodys tissues, and belongs to a class of compounds known as glycosaminoglycans (GAGs). Glucosamine 6-sulfate is being used in the treatment of arthritis. Glucosamine for arthritis products is usually formulated as the hydrochloride salt or glucosamine sulfate and often combined with chondroitin sulphate. It is notable that while both the hydrochloride salt and glucosamine sulfate are used in pharmaceutical preparations, glucosamine sulfate is thought to have a higher biological activity due to the presence of the sulfate. It should also be noted that there is a large cost difference between the two salts, with the hydrochloride salt being significantly less expensive. (PMID: 15925239).
Osmaronin
Osmaronin is found in cereals and cereal products. Osmaronin is a constituent of the leaves of Hordeum vulgare (barley). Constituent of the leaves of Hordeum vulgare (barley). Osmaronin is found in barley and cereals and cereal products.
Lenalidomide
Lenalidomide (initially known as CC-5013 and marketed as Revlimid by Celgene) is a derivative of thalidomide introduced in 2004. It was initially intended as a treatment for multiple myeloma, for which thalidomide is an accepted therapeutic modality, but has also shown efficacy in the hematological disorders known as the myelodysplastic syndromes. [Wikipedia] C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Mizoribine
Mizoribine belongs to the family of 1-Ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2]. Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2].
Fumarycarnitine
Fumarycarnitine is an acylcarnitine. More specifically, it is an fumaric acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Fumarycarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine fumarycarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
1-(3-Carboxypropylcarbamoyl)-5-fluorouracil
BEMORADAN
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
5-(1H-Indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone
1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
Pyrazofurin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
4-Amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrimidin-2-one
1-(6-Aminopurin-9-yl)-5-methylpyrimidine-2,4-dione
Cyclohexanones
Cyclohexanones, also known as cn-54521-2ci-634tiletamine hydrochloride or cl 399, is a member of the class of compounds known as aralkylamines. Aralkylamines are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Cyclohexanones can be found in tea, which makes cyclohexanones a potential biomarker for the consumption of this food product. Cyclohexanones is the organic compound with the formula (CH2)5CO. The molecule consists of six-carbon cyclic molecule with a ketone functional group. This colorless oil has an odor reminiscent of that of acetone. Over time, samples of cyclohexanone assume a yellow color. Cyclohexanones is slightly soluble in water and miscible with common organic solvents. Billions of kilograms are produced annually, mainly as a precursor to nylon .
Rhodiocyanoside A
A cyanogenic glycoside that is (2Z)-2-methylbut-2-enenitrile attached to a beta-D-glucopyranosyloxy at position 4. Isolated from Rhodiola quadrifida, it exhibits anti-allergic activity.
Isomaculosidine
Furo(2,3-b)quinolin-4(9H)-one, 6,8-dimethoxy-9-methyl- is a natural product found in Dictamnus albus and Dictamnus dasycarpus with data available.
Pyrazomycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
(-)-alternarlactam|(1S)-6-hydroxy-8-methoxy-1-methyl-1H-cyclopenta[c]isoquinoline-3,5(2H,4H)-dione
4,5,6-Trimethoxyfurl[2,3-b]quinoline|4,5,6-trimethoxyfuroquinoline
2-(beta-D-glucopyranosyloxy)-3-methyl-but-2-enenitrile|2-beta-D-Glucopyranosyloxy-3-methyl-crotononitril|2-beta-D-glucopyranosyloxy-3-methyl-crotononitrile|Acacipetalin
4,5,7-trimethoxyfuroquinoline|4,5,7-Trimethoxyfuro[2,3-b]quinoline
Caerulomycin I
A pyridine alkaloid that is 2,2-bipyridine-6-carboxamide substituted by methoxy groups at position 4 and carbamoyl nitrogen respectively. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
(6E)-3,4-dimethoxy-6-(nitrosomethylidene)-2-pyridin-2-yl-1H-pyridine
5,7-dimethoxy-9-methyl-4,9-dihydrofuro-[2,3-b]-chinolin-4-on|5,7-dimethoxy-9-methyl-9H-furo[2,3-b]quinolin-4-one|Glycarpin|Glycarpine
(E)-2-(hydroxymethylene)butanenitrile beta-D-glucopyranoside|supinanitriloside F
(2Z)-4-(beta-D-glucopyranosyloxy)-2-butenenitrile|4-beta-D-pyranoglucosyloxyl-2(Z)-propene-1-nitrile|alliarinoside
3-(4-chloro-phenyl)-2-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
Skimmianine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 1.053 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.048 Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
Lenalidomide
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
C14H13NO4_4,7,8-Trimethoxyfuro[2,3-b]quinoline
2-Thiocytidine
2-Thiocytidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
(Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
4-Bromo-2,5-dimethoxyphenethylamine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
(Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile_major
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROBROMIDE
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE
mizoribine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2]. Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2].
(s)-3-amino-2-oxetanone p-toluenesulfonic acid salt
4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
5-chloro-4-(dimethoxymethyl)-2-(3-methoxypropyl)pyridine
2-Hydroxy-3-nitro-[1,1-biphenyl]-3-carboxylic acid
2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine
METHYL 2-METHOXY-4-[(METHYLSULFONYL)AMINO]-BENZOATE
Azetepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
1-(Dichloroacetyl)-1,2,3,4-tetrahydro-6-quinolinol
4-(2-AMINO-2-CARBOXYETHYL)BENZO[C]-2,1,3-THIADIAZOLE, HYDROCHLORIDE
4-CHLORO-2-(2-PYRIDINYL)-6-(TRIFLUOROMETHYL)-PYRIMIDINE
4-(2-HYDROXY-PHENYL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidine
6,7-DIHYDROXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROBROMIDE
2,3-Dihydro-α-(trifluoromethyl)-1H-indole-2-propanoic acid
3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]propanamide
2-dimethoxyphosphinothioylsulfanyl-N-(methoxymethyl)acetamide
(+/-)-2-AMINO-6,7-DIHYDROXY-1,2,3,4-TETRAHYDRONAPHTHALENE HBR
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
2-amino-6-(trifluoromethyl)benzoic acid, trihydrate
2-(2-BROMO-4,5-DIMETHOXYPHENYL)ETHANAMINE HYDROCHLORIDE
3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
2-(1-(TERT-BUTOXYCARBONYL)AZETIDIN-3-YL)MALONIC ACID
ETHYL 2-(5-((ETHOXYCARBONYL)AMINO)-1,2,4-THIADIAZOL-3-YL)ACETATE
5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
ciclobendazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
2,3-Naphthalenediol,6-amino-5,6,7,8-tetrahydro-, hydrobromide (1:1)
4-CHLORO-4-HYDROXY-3-METHOXY-[1,1-BIPHENYL]-3-CARBONITRILE
PSI-6130
PSI-6130 is a potent and selective inhibitor of HCV NS5B polymerase, and inhibits HCV replication with a mean IC50 of 0.6 μM.?
4-(1-Pyrrolidinyl)-3-(trifluoromethyl)benzoic acid
6-Methyl-2-(4-vinylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
2-ISOPROPOXY-6-(2,2,2-TRIFLUOROETHOXY)BENZONITRILE
5-Nitro-2-(3-piperidinyloxy)pyridine hydrochloride
2-chloro-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinoline
(2S,4R)-4-(2-Fluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
(S)-2-(2-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(R)-2-(2-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(S)-2-(3-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(R)-3-Amino-2-oxetanone p-toluenesulfonic acid salt
4-chloro-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
1-[4-(4-METHYL-4H-PYRAZIN-1-YL)-3-NITRO-PHENYL]-ETHANONE
4-Phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-ylhydrosulfide
Fadrozole hydrochloride
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
Methyl 2-amino-4-(2-chloroethoxy)-5-methoxybenzoate
6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylic acid
6-Chloro-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride
5-Chloro-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride
3-(2-OXOPYRROLIDIN-1-YL)BENZENE-1-SULFONYL CHLORIDE
Ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyrimidine-6-carboxylate
2-DIETHOXYMETHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
2-fluoro-7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylic acid
1,3(2H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER
Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl-
ETHYL5-CYANO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
ETHYL5-CYANO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
4-Chloro-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
3a-(Trifluoromethyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazol-1(2H)-one
azintamide
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
2-amino-1-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-ethanone 2 hcl
Benzenamine,4-[2-(3-chlorophenyl)diazenyl]-N,N-dimethyl-
3-(3-THIOPHEN-2-YL-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL)-PROPAN-1-OL
(Z)-2-(Methoxycarbonylmethoxyimino)-2-(2-aminothiazol-4-yl)acetic acid
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine
METHYL 3-AMINO-4,5-DIHYDRONAPHTHO[1,2-B]THIOPHENE-2-CARBOXYLATE
2,5-DIMETHOXY-4-(2-FLUORETHYLTHIO)-PHENYLETHYLAMIN
2-[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-BENZOIC ACID
2-amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-
methyl 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetate
2-(2,6-DICHLOROPHENOXY)-3-(DIMETHYLAMINO)ACRYLALDEHYDE
(3-(N,N-dimethylsulfamoyl)-4-Methoxyphenyl)boronic acid
1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 2-propen-1-yl ester, (2S,4S)
(S)-METHYL 2-AMINO-3-(4-HYDROXY-2,6-DIMETHYLPHENYL)PROPANOATE HYDROCHLORIDE
(2-AMINO-4-(ISOPROPOXYCARBONYL)PHENYL)BORONIC ACID HYDROCHLORIDE
Cyclopentanecarboxylicacid, 1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
Methyl morpholine-2-carboxylate 2,2,2-trifluoroacetate
(R)-2-(3-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
Methyl 6-methoxyformamido-4-chloropyridin-2-ylcarbamate
2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
2-Amino-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalene hydrobromide
(4-chlorophenyl)(4-piperidyl)methanone hydrochloride
Benzaldehyde,4-[bis(2-chloroethyl)amino]-2-methyl-
Methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
8-chloro-1-oxido-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-1-ium-11-one
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonyl chloride
2-chloro-6-morpholin-4-yl-5-nitropyrimidin-4-amine
dimethylammonium 2-(4-chloro-2-methylphenoxy)propionate
2-(chloromethyl)-4-[(4-chlorophenyl)methyl]morpholine
2-(3-Carbethoxy-4-hydroxypyrrolidin-2-on-1-yl)ethyl acetate
1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester
(S)-2-(4-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(1H-benzoimidazol-2-yl)-(4-chloro-6-methyl-pyrimidin-2-yl)-amine
Acriflavinium chloride
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(3S,4R)-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
3-(3-ETHYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]-THIADIAZOL-6-YL)-2-METHYL-PHENYLAMINE
N-(2-Fluoro-5-Methylphenyl)-4-MethoxybenzaMide, 97\\%
N-(2-Fluoro-4-Methylphenyl)-4-MethoxybenzaMide, 97\\%
(4-Morpholinyl)acetic acid trifluoroacetic acid salt
ethyl 8-cyano-7-Methoxy-2-MethyliMidazo[1,2-a]pyridine-3-carboxylate
methyl 5-chloroindeno[1,2-b]pyridine-5-carboxylate
2-(PHENYLTHIO)-PYRIDINE-4-CARBOXYLIC ACID ETHYL ESTER
N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
(4-[(3-METHYL-FURAN-2-CARBONYL)-AMINO]-PHENYL)-ACETIC ACID
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxylic acid
1-(1H-imidazol-4-ylsulfonyl)piperidine-3-carboxylic acid
Nicotinyl alcohol tartrate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(3S,4R)-4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid
[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanol
Fosfomycin tromethamine
C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
trans-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1H-indole-3-butanoic acid, alpha,gamma-dioxo-, ethyl ester
N-((4R,6S)-6-METHYL-7,7-DIOXIDO-5,6-DIHYDRO-4H-THIENO[2,3-B]THIOPYRAN-4-YL)ACETAMIDE
(5-Amino-2,3,4-trihydroxy-6-oxohexyl) dihydrogen phosphate
N(4)-Hydroxycytidine
A nucleoside analogue that is cytidine which carries a hydroxy group at the N(4)-positon. It has broad-spectrum antiviral activity against influenza, SARS-CoV , SARS-CoV-2 and MERS-CoV. COVID info from DrugBank, Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-Fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-
3-Amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide
5-(1-naphthalenylamino)-3H-1,3,4-thiadiazole-2-thione
2-[(2-Phenylethyl)thio]nicotinic acid
ML-099 (CID-888706) is a pan Ras-related GTPases activator that can activate Rac1, cell division cycle 42, Ras, Rab7, and Rab-2A[1].
Ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate
3-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-benzoic acid
3-(3,4-Dimethylanilino)-1-thiophen-2-yl-1-propanone
2-[(3,4-Dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid
N-(7-chloro-4-quinazolinyl)-N-(2-furylmethyl)amine
2-[(4-Methoxyphenyl)sulfonyl-methylamino]acetic acid
(3R)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
(3,4-Dihydroxy-2-nitrophenyl)(phenyl)methanone
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors
Sn-glycero-3-phosphoserine
A glycerol 1-phosphoserine in which the glycero portion has R-configuration.
1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)
Ethyl 4-nitrophenyl ethylphosphonate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors Same as: D01591
Tiletamine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Skimmianin
Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
Biotinate sulfoxide(1-)
A monocarboxylic acid anion that is the conjugate base of biotin sulfoxide; major species at pH 7.3.
[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfate
Glucosamine 6-Phosphate (closed ring, complete stereochemistry)
[(2R,3R,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
3-Amino-3-deoxy-beta-D-fructofuranose 6-phosphoric acid
1-Methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide
caerulomycin C
A pyridine alkaloid that is 2,2-bipyridine substituted by methoxy groups at positions 3 and 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
(3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
3-(methylthio)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
Propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester
(2r)-2-Azanyl-3-[(1r,2s)-2-Oxidanyl-1-Phosphono-Propyl]sulfanyl-Propanoic Acid
2-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-1-hydrazinecarbothioamide
Benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
2-[[(4-Methyl-1-pyrazolyl)-oxomethyl]amino]benzoic acid methyl ester
2-(4-Chlorophenyl)-5-(prop-2-enylamino)-4-oxazolecarbonitrile
2-(3-Chlorophenyl)-5-(prop-2-enylamino)-4-oxazolecarbonitrile
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Acetic acid [2-(1-acetyl-6-indolyl)-2-oxoethyl] ester
(2r,3ar,7ar)-2-[(2s)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-3,3a,5,6,7,7a-Hexahydrofuro[4,5-B]pyran-2-Carboxylic Acid
O-fumaryl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as fumaryl.
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
2-azaniumyl-2-deoxy-1-O-(hydroxyphosphinato)-alpha-D-galactopyranose
3-(2-methylpropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indol-4-ium
3-Cyano-4,8-bis(methoxymethyl)-1-oxa-2-oxo-1,2-dihydroazulene
2,4-Dimethyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
O(4)-phosphonato-D-tyrosine(2-)
An optically active form of O(4)-phosphonatotyrosine(2-) having D-configuration.
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
(5-Amino-3,4,6-trihydroxyoxan-2-yl)methyl dihydrogen phosphate
2-amino-2-deoxy-D-glucopyranose 6-phosphate
The pyranose form of D-glucosamine 6-phosphate.
alpha-D-glucosamine 6-phosphate
A 2-amino-2-deoxy-D-glucopyranose 6-phosphate that has an alpha-configuration at the anomeric position.
glycerol 1-phosphoserine
A L-serine derivative consisting of L-serine having a 1-glycerophospho group attached to the side-chain hydroxy function.
O(4)-phosphonato-L-tyrosine(2-)
An optically active form of O(4)-phosphonatotyrosine(2-) having L-configuration.
(10ar)-8,9-dimethoxy-10h,10ah-pyrrolo[1,2-b]isoquinoline-1,5-dione
(1r,2s)-1,2-dihydroxy-1,2-dimethyl-9h-carbazole-3,4-dione
(5-amino-3,4,6-trihydroxyoxan-2-yl)methoxyphosphonic acid
5-(2-aminoethyl)-2-methoxy-3,4-bis(methylsulfanyl)phenol
(1s)-5,6-dihydroxy-8-methoxy-1-methyl-1h,2h-cyclopenta[c]isoquinolin-3-one
10-amino-3-hydroxy-7-(3-hydroxypropyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-11-one
5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-enenitrile
n-[4-(4-hydroxy-5-methyl-6-oxopyran-2-yl)phenyl]ethanimidic acid
3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
20(S)-hydroxy-25-melhoxydainmar-23-en-3-one
{"Ingredient_id": "HBIN003508","Ingredient_name": "20(S)-hydroxy-25-melhoxydainmar-23-en-3-one","Alias": "NA","Ingredient_formula": "C13H9NO3S","Ingredient_Smile": "C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34518","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
