Exact Mass: 457.1406
Exact Mass Matches: 457.1406
Found 265 metabolites which its exact mass value is equals to given mass value 457.1406,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amygdaloside
Amygdalin is found in almond. Bitter glycoside of the Rosaceae, found especially in kernels of cherries, peaches and apricots. Amygdalin is present in cold pressed bitter almond oil from the above sources prior to enzymic hydolysis and steam distillation for food use Amygdalin , C20H27NO11, is a glycoside initially isolated from the seeds of the tree Prunus dulcis, also known as bitter almonds, by Pierre-Jean Robiquet and A. F. Boutron-Charlard in 1803, and subsequently investigated by Liebig and Wohler in 1830, and others. Several other related species in the genus of Prunus, including apricot (Prunus armeniaca) and black cherry (Prunus serotina), also contain amygdalin. It was promoted as a cancer cure by Ernst T. Krebs under the name "Vitamin B17", but studies have found it to be ineffective. Amygdalin is sometimes confounded with laevomandelonitrile, also called laetrile for short; however, amygdalin and laetrile are different chemical compounds (R)-amygdalin is an amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is functionally related to a (R)-mandelonitrile. D-Amygdalin is a natural product found in Prunus spinosa, Gerbera jamesonii, and other organisms with data available. Amygdalin is a cyanogenic glucoside isolated from almonds and seeds of other plants of the family Rosaceae. Amygdalin is converted by plant emulsin (a combination of a glucosidase and a nitrilase) or hydrochloric acid into benzaldehyde, D-glucose, and hydrocyanic acid. (NCI04) A cyanogenic glycoside found in the seeds of Rosaceae. Amygdalin is a bitter glycoside of the Rosaceae, found in sources such as kernels of cherries, peaches and apricots. Present in cold pressed bitter almond oil from the these sources prior to enzymic hydolysis and steam distillation for food use. Amygdalin can also be found in passion fruit. C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C29724 - Cyanoglycoside Agent D000970 - Antineoplastic Agents C1907 - Drug, Natural Product Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums. Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums.
Minocycline
Minocycline is only found in individuals that have used or taken this drug. It is a tetracycline analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant staphylococcus infections. [PubChem]Minocycline passes directly through the lipid bilayer or passively diffuses through porin channels in the bacterial membrane. Tetracyclines like minocycline bind to the 30S ribosomal subunit, preventing the binding of tRNA to the mRNA-ribosome complex and interfering with protein synthesis. A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3205 KEIO_ID M159; [MS3] KO009052 KEIO_ID M159; [MS2] KO009051 KEIO_ID M159
5,10-Methylene-THF
5,10-Methylene-THF is an intermediate in glycine, serine and threonine metabolism and one carbon metabolism. 5,10-CH2-THF can also be used as a coenzyme in the biosynthesis of thymidine. More specifically it is the C1-donor in the reactions catalyzed by thymidylate synthase and thymidylate synthase (FAD). It also acts as a coenzyme in the synthesis of serine from glycine via the enzyme serine hydroxymethyl transferase. 5,10-Methylene-THF is a substrate for Methylenetetrahydrofolate reductase. This enzyme converts 5,10-methylenetetrahydrofolate to 5-methyltetrahydrofolate. This reaction is required for the multistep process that converts the amino acid homocysteine to methionine. The body uses methionine to make proteins and other important compounds. 5,10-CH2-THF is a substrate for many enzymes including Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase (mitochondrial), Aminomethyltransferase (mitochondrial), Serine hydroxymethyltransferase (mitochondrial), Methylenetetrahydrofolate reductase, C-1-tetrahydrofolate synthase (cytoplasmic), Serine hydroxymethyltransferase (cytosolic) and Thymidylate synthase. 5,10-Methylene-THF is an intermediate in the metabolism of Methane and the metabolism of Nitrogen. It is a substrate for Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase (mitochondrial), Aminomethyltransferase (mitochondrial), Serine hydroxymethyltransferase (mitochondrial), Methylenetetrahydrofolate reductase, C-1-tetrahydrofolate synthase (cytoplasmic), Serine hydroxymethyltransferase (cytosolic) and Thymidylate synthase. [HMDB] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
AZIMILIDE
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
OA-6129 A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-O-Acetylpapaveroxine
A benzylisoquinoline alkaloid that is 3-O-acetyl-4-O-demethylpapaveroxine in which the phenolic hydroxy group has been converted to the corresponding methyl ether. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum.
1-(8-amino-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-5-O-phosphono-D-ribitol
Evotopin
Topotecan Hydrochloride is the hydrochloride salt of a semisynthetic derivative of camptothecin with antineoplastic activity. During the S phase of the cell cycle, topotecan selectively stabilizes topoisomerase I-DNA covalent complexes, inhibiting religation of topoisomerase I-mediated single-strand DNA breaks and producing potentially lethal double-strand DNA breaks when complexes are encountered by the DNA replication machinery. Camptothecin is a cytotoxic quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I. See also: Topotecan (has active moiety). C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
Mandelonitrile sophoroside
Mandelonitrile sophoroside is isolated from leaves of perilla (Perilla frutescens var. acuta). Isolated from leaves of perilla (Perilla frutescens variety acuta)
5-Methyldihydrofolic acid
5-Methyldihydrofolic acid is a biopterin derivative present in human body fluids and tissues. (PMID: 932231) [HMDB] 5-Methyldihydrofolic acid is a biopterin derivative present in human body fluids and tissues. (PMID: 932231).
(6R)-5,10-Methylenetetrahydrofolate
Azimilide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(4S,4As,5aR,12aS)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
Etrasimod
N-(4-(2,5-Dihydro-5-oxo-3-furanyl)phenyl)-4-(beta-D-glucopyranosyloxy)benzamide
Bisindolylmaleimide IX
2-[[4-[(2-Amino-1-methyl-4-oxo-2,3-dihydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylidenepentanedioic acid
Triazoledione
1-[[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxy-3-[4-(4-methylpiperazin-1-yl)butyl]imidazol-2-one
6-Oxocamphor
6-oxocamphor, also known as topotecan or hycamtin, is a member of the class of compounds known as camptothecins. Camptothecins are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring). 6-oxocamphor can be found in common sage, which makes 6-oxocamphor a potential biomarker for the consumption of this food product. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)acetonitrile
N-Ac-11-[(2-Amino-2-carboxyethyl)thio]-12-hydroxy-5,7,9-hexadecatrienedioic acid
aristolactam Ia N-beta-D-glucopyranoside|aristolactam Ia N-beta-D-glucoside
1,4-Lactone,tri-N-benzoyl-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
4-hydroxyphenylacetonitrile 4-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside|adenophoraside D
Amygdalin
D000970 - Antineoplastic Agents (R)-amygdalin is an amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is functionally related to a (R)-mandelonitrile. D-Amygdalin is a natural product found in Prunus spinosa, Gerbera jamesonii, and other organisms with data available. Amygdalin is a cyanogenic glucoside isolated from almonds and seeds of other plants of the family Rosaceae. Amygdalin is converted by plant emulsin (a combination of a glucosidase and a nitrilase) or hydrochloric acid into benzaldehyde, D-glucose, and hydrocyanic acid. (NCI04) A cyanogenic glycoside found in the seeds of Rosaceae. C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C29724 - Cyanoglycoside Agent An amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. C1907 - Drug, Natural Product Origin: Plant; Formula(Parent): C20H27NO11; Bottle Name:Amygdalin; PRIME Parent Name:Amygdalin; PRIME in-house No.:V0293, Glycosides, Nitriles Annotation level-1 Neoamygdalin is a natural product found in Prunus virginiana, Prunus serotina, and other organisms with data available. Amygdalin is a cyanogenic glucoside isolated from almonds and seeds of other plants of the family Rosaceae. Amygdalin is converted by plant emulsin (a combination of a glucosidase and a nitrilase) or hydrochloric acid into benzaldehyde, D-glucose, and hydrocyanic acid. (NCI04) A cyanogenic glycoside found in the seeds of Rosaceae. Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums. Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums. Neoamygdalin is a compound identified in the different processed bitter almonds. Neoamygdalin has the potential for the research of cough and asthma[1].
ro 31-8220
phenyl(1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-7-yl)methanone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.432 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.437
Topotecan Hcl
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
C20H27NO11_{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile
C20H27NO11_(2S)-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}(phenyl)acetonitrile
Minocycline
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
Ingliforib
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4688; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4213; ORIGINAL_PRECURSOR_SCAN_NO 4211 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4706; ORIGINAL_PRECURSOR_SCAN_NO 4704 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4782; ORIGINAL_PRECURSOR_SCAN_NO 4781 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4692; ORIGINAL_PRECURSOR_SCAN_NO 4691 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9076; ORIGINAL_PRECURSOR_SCAN_NO 9074 INTERNAL_ID 310; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9076; ORIGINAL_PRECURSOR_SCAN_NO 9074 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9039; ORIGINAL_PRECURSOR_SCAN_NO 9036 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9056; ORIGINAL_PRECURSOR_SCAN_NO 9053 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9130 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9091; ORIGINAL_PRECURSOR_SCAN_NO 9086 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9148; ORIGINAL_PRECURSOR_SCAN_NO 9144
2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)acetonitrile_major
Ala Cys His Gln
Ala Cys Gln His
Ala His Cys Gln
Ala His Gln Cys
Ala Gln Cys His
Ala Gln His Cys
Cys Ala His Gln
Cys Ala Gln His
Cys His Ala Gln
Cys His Gln Ala
Cys Gln Ala His
Cys Gln His Ala
Gly His Met Asn
Gly His Asn Met
1,2,4-Triazolidine-3,5-dione, 1-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-4-(2-phenoxyethyl)-
Gly Met His Asn
Gly Met Asn His
Gly Asn His Met
Gly Asn Met His
His Ala Cys Gln
His Ala Gln Cys
His Cys Ala Gln
His Cys Gln Ala
His Gly Met Asn
His Gly Asn Met
His Met Gly Asn
His Met Asn Gly
His Asn Gly Met
His Asn Met Gly
His Gln Ala Cys
His Gln Cys Ala
Met Gly His Asn
Met Gly Asn His
Met His Gly Asn
Met His Asn Gly
Met Asn Gly His
Met Asn His Gly
Asn Gly His Met
Asn Gly Met His
Asn His Gly Met
Asn His Met Gly
Asn Met Gly His
Asn Met His Gly
Gln Ala Cys His
Gln Ala His Cys
Gln Cys Ala His
Gln Cys His Ala
Gln His Ala Cys
Gln His Cys Ala
5-Methyldihydrofolic acid
A member of the class of dihydrofolic acids that is dihydrofolic acid carrying a methyl substituent at position 5.
Mandelonitrile sophoroside
{[2-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile
16-carboxy-17,18,19,20-tetranor-N-acetyl-LTE3
azd-8186
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-6-methyl-N-(3-methylphenyl)- (9CI)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-N-(2-methylphenyl)- (9CI)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-N-(3-methylphenyl)- (9CI)
[R-(E)]-alpha-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol
6-nitrooxyhexyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
Methyl-[E]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)-ethenyl]-phenyl] -3-hydroxy propyl]-benzoate
Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate
2-amino-2-ethylpropane-1,3-diol,(4-nitrophenyl) dihydrogen phosphate
[(S)-(E)]-2-[3-[3-[2-(7-chloro-2-quinolinyl)-ethenyl]-phenyl]-3-hydroxy propyl]-phenyl]-2-Propanol
[4-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)carbamoyl]phenyl] benzoate
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)- (9CI)
4-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
10-Phenyl-10H-spiro[acridine-9,9-fluorene]-2,7-dicarbonitrile
1H-Indol-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide
Bisindolylmaleimide IX
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors
Tematropium metilsulfate
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
(6R)-5,10-Methylenetetrahydrofolate
C2140 - Adjuvant > C2078 - Folic Acid Derivative
(2R)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL
(2S)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL
1,2-DI-N-Pentanoyl-SN-glycero-3-dithiophosphocholine
3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
D004791 - Enzyme Inhibitors
[(3R,4R,6R)-2,3-dihydroxy-2-methyl-6-(12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)oxan-4-yl]azanium
1-[[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxy-3-[4-(4-methylpiperazin-1-yl)butyl]imidazol-2-one
5,10-Methylenetetrahydrofolic acid
C2140 - Adjuvant > C2078 - Folic Acid Derivative
Syncarpamide
An alkaloid that is the di-O-cinnamoyl derivative of 3,4-di-O-methylnorepinephrine. Isolated from Zanthoxylum syncarpum, it exhibits antiplasmodial activity.
alisiaquninone C
An organic heterohexacyclic compound that is isolated from New Caledonian deep water sponge and exhibits antiplasmodial properties.
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
2-[4-(2,2-Dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetic acid
(1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
6-(1-azepanylsulfonyl)-1-ethyl-N-(2-furanylmethyl)-4-oxo-3-quinolinecarboxamide
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
N-[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(4-chlorophenyl)acetamide
ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
ethyl 4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
4-Morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester
2,5-Dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
4-[[[4-[(4-Fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
2,4-dihydroxy-3-({3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoic acid
(4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]urea
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1,3-dihydroxy-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-yl)oxy]oxane-2-carboxylic acid
Antibiotic OA 6129A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
minocycline zwitterion
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of minocycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(6R)-5,10-Methylenetetrahydrofolic acid
The (6R)-stereoisomer of 5,10-methylenetetrahydrofolic acid.
platensimycin A1
A polycyclic cage that is the 5-hydroxy derivative of platensimycin. It is isolated from Streptomyces platensis.
5-Methyltetrahydrofolate(2-)
A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 5-methyltetrahydrofolic acid; major species at pH 7.3.
Foliglurax (monohydrochloride)
Foliglurax monohydrochloride (PXT002331 monohydrochloride) is a highly selective and potent, brain-penetrant metabotropic glutamate receptor 4 positive allosteric modulator (mGluR4 PAM) , with an EC50 of 79 nM[1]. Antiparkinsonian effect[1].
(2r,3r,4s,5r,6r)-2-{12-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-3-yl}-6-methyloxane-3,4,5-triol
(1s,2r,14r,15s)-4-methoxy-16,16,25-trimethyl-8,12,17-trioxa-25-azaheptacyclo[13.12.0.0²,¹⁴.0³,¹¹.0⁵,⁹.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4,6,9,18(27),19,21,23-octaene-13,26-dione
ethyl 4-[(1-{10-acetyl-11,13-dihydroxy-2,12-dimethyl-3,5-dioxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraen-4-ylidene}ethyl)amino]butanoate
(2s)-2-[(4-{1-hydroxy-3-imino-4h,5h,6h,6ah,7h,9h-imidazo[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioic acid
(4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboximidic acid
(2s,3s,4r,5r)-3-{[(2s)-2-amino-1-hydroxy-3-(4-methoxyphenyl)propylidene]amino}-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
n-[2,6-dihydroxy-3-(sulfanylcarbonyl)phenyl]-3-[(1s,5s,6r,7s,9s,10s)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propanimidic acid
5-[(2r,4s,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
aristolactam aiiian-β-d-glucoside
{"Ingredient_id": "HBIN016763","Ingredient_name": "aristolactam aiiian-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C22H19NO10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1694","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
