Exact Mass: 367.1227
Exact Mass Matches: 367.1227
Found 479 metabolites which its exact mass value is equals to given mass value 367.1227,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bicuculline
Bicuculline is a benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. It has a role as an agrochemical, a central nervous system stimulant, a GABA-gated chloride channel antagonist, a neurotoxin and a GABAA receptor antagonist. It is an isoquinoline alkaloid, a member of isoquinolines and a benzylisoquinoline alkaloid. Bicuculline is a light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Bicuculline is a natural product found in Fumaria capreolata, Fumaria densiflora, and other organisms with data available. Bicuculline is a light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Since it blocks the inhibitory action of GABA receptors, the action of bicuculline mimics epilepsy. This property is utilized in laboratories across the world in the in vitro study of epilepsy, generally in hippocampal or cortical neurons in prepared brain slices from rodents. This compound is also routinely used to isolate glutamatergic (excitatory amino acid) receptor function. An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors. A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Bicuculline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=485-49-4 (retrieved 2024-07-09) (CAS RN: 485-49-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
Loracarbef hydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Bicuculline (+)
Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
Xanthurenate-8-O-beta-D-glucoside
Xanthurenic acid 8-O-beta-D-glucoside, a fluorescent metabolite, has been isolated from heads of eye-color mutants of Drosophila melanogaster. Only a few mutations cause it to accumulate, viz. cardinal (cd), dark red brown (drb), Henna-recessive (Hnr), purple (pr), Punch2 (Pu2), Punch-Grape (PuGr), and scarlet (st). After purification by ion-exchange chromatography, the spectroscopic, chemical, and enzymatic analyses revealed that it is a novel quinoline derivative. Feeding experiments suggest that this glucoside is synthesized from 3-hydroxykynurenine and that free xanthurenic acid is not a precursor. The results from the analysis for its occurrence in double mutants, together with the fact that xanthurenic acid 8-glucoside share the same precursor as xanthurenic acid and xanthommatin, suggest that xanthurenic acid 8-glucoside formation is closely related to the regulation of the last step in the biosynthesis of xanthommatin.[PMID: 3922986]. Xanthurenic acid 8-glucoside is a side metabolite of the tryptophan-xanthommatin pathway in Drosophila. From 3-hydroxykynurenine, two biosynthetic pathways can be envisaged, one via xanthurenic acid, and another via 3-O-glucoside of 3-hydroxykynurenine. Evidence is presented to show that the synthesis takes place via xanthurenic acid. (a) the Drosophila melanogaster vermilion purple mutant (unable to synthesize 3-hydroxykynurenine) synthesizes xanthurenic acid 8-glucoside when fed with xanthurenic acid; and (b) the activities required for its synthesis via xanthurenic acid have been found (3-hydroxykynurenine transaminase and xanthurenic acid:UDP-glucosyltransferase). This is the first time that a UDP-glucosyltransferase activity that utilizes xanthurenic acid has been demonstrated. The enzyme in crude extracts from Drosophila sordidula shows the following characteristics. (a) It has optimal activity at 35 degrees C at pH 7.1 (in buffer Tris-HCl), and in the presence of a divalent cation (Mg2+ or Mn2+); (b) the activity is inhibited by xanthurenic acid (above 1.5 mM), UDP, D-gluconic acid 1,5-lactone, and Triton X-100; (c) it is localized in both the microsomal and the soluble fractions; (d) the specific activity is two times higher in heads than in bodies; and (e) the activity is enhanced in flies fed with phenobarbital. Xanthurenic acid 8-O-beta-D-glucoside, a fluorescent metabolite, has been isolated from heads of eye-color mutants of Drosophila melanogaster. Only a few mutations cause it to accumulate, viz. cardinal (cd), dark red brown (drb), Henna-recessive (Hnr), purple (pr), Punch2 (Pu2), Punch-Grape (PuGr), and scarlet (st). After purification by ion-exchange chromatography, the spectroscopic, chemical, and enzymatic analyses revealed that it is a novel quinoline derivative. Feeding experiments suggest that this glucoside is synthesized from 3-hydroxykynurenine and that free xanthurenic acid is not a precursor. The results from the analysis for its occurrence in double mutants, together with the fact that xanthurenic acid 8-glucoside share the same precursor as xanthurenic acid and xanthommatin, suggest that xanthurenic acid 8-glucoside formation is closely related to the regulation of the last step in the biosynthesis of xanthommatin.[PMID: 3922986]
Zeanoside B
Zeanoside B is found in cereals and cereal products. Zeanoside B is isolated from immature corn kernels (Zea mays) (Gramineae). Isolated from immature corn kernels (Zea mays) (Gramineae). Zeanoside B is found in cereals and cereal products and corn.
Tryptophyl-Tyrosine
Tryptophyl-Tyrosine is a dipeptide composed of tryptophan and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Casuarine 6-alpha-D-glucoside
Casuarine 6-alpha-D-glucoside is found in fruits. Casuarine 6-alpha-D-glucoside is an alkaloid from Eugenia jambolana (jambolan
Tyrosyl-Tryptophan
Tyrosyl-Tryptophan is a dipeptide composed of tyrosine and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N-Acetyl-6-O-L-fucosyl-D-glucosamine
N-Acetyl-6-O-L-fucosyl-D-glucosamine is an oligosaccharin obtained from human milk (Fiziologiya i Biokhimiya Kulturnykh Rastenii (2002), 34(1), 52-57) [HMDB] N-Acetyl-6-O-L-fucosyl-D-glucosamine is an oligosaccharin obtained from human milk (Fiziologiya i Biokhimiya Kulturnykh Rastenii (2002), 34(1), 52-57).
2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose
2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose is an oligosaccharide isolated from the urine of patients with fucosidosis (Fucosidosis is an autosomal recessive lysosomal storage disease caused by defective alpha-L-fucosidase with accumulation of fucose in the tissues. Different phenotypes include clinical features such as neurologic deterioration, growth retardation, visceromegaly, and seizures in a severe early form; coarse facial features, angiokeratoma corporis diffusum, spasticity and delayed psychomotor development in a longer surviving form; and an unusual spondylometaphyseoepiphyseal dysplasia in yet another form. OMIM 230000). (PMID 728478) [HMDB] 2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose is an oligosaccharide isolated from the urine of patients with fucosidosis (Fucosidosis is an autosomal recessive lysosomal storage disease caused by defective alpha-L-fucosidase with accumulation of fucose in the tissues. Different phenotypes include clinical features such as neurologic deterioration, growth retardation, visceromegaly, and seizures in a severe early form; coarse facial features, angiokeratoma corporis diffusum, spasticity and delayed psychomotor development in a longer surviving form; and an unusual spondylometaphyseoepiphyseal dysplasia in yet another form. OMIM 230000). (PMID 728478).
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose is an oligosaccharide is a fucosylated oligosaccharide specific to human, and in milk forms part of the innate immune system. (PMID: 1579031). It is present in a number of proteins, such as human transferrin. Hepatocytes contain a receptor that binds glycoproteins specifically through the fucose in alpha13 linkage to N-acetylglucosamine. (PMID: 276862). It is also present in some forms of human kidney enzyme alpha-L-fucosidase (EC 3.2.1.51) (PMID: 7215135). 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose is an oligosaccharide is a fucosylated oligosaccharide specific to human, and in milk forms part of the innate immune system. (PMID: 1579031)
Desmethylazelastine
Desmethylazelastine is a metabolite of Azelastine. Azelastine, an antiallergy and antiasthmatic drug, has been reported to be mainly N-demethylated to desmethylazelastine in humans. Azelastine N-demethylation in humans liver microsomes is catalyzed mainly by CYP3A4 and CYP2D6, and CYP1A2 to a small extent (in average, 76.6, 21.8, and 3.9\\%, respectively. (PMID: 10570018)
(+)-Bicuculline
Pantoprazole sulfide
Corynoline
4-[(2-Cyclobutylimidazo[4,5-b]pyrazin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Prucalopride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D005765 - Gastrointestinal Agents > D054368 - Laxatives Prucalopride is an orally active, selective and specific 5-HT 4 receptor agonist (high affinity), with pKis of 8.6 and 8.1 for human 5-HT4a/4b receptors, respectively. Prucalopride improves intestinal motility by promoting regeneration of the intestinal nervous system in rats. Prucalopride also shows anticancer activity by blocking of the PI3K/AKT/mTor signaling pathway. Prucalopride can be used in studies of chronic constipation, pseudo-intestinal obstruction and cancer[1][2][3].
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid
Pyrazoloacridine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents
Riodipine
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoic acid
O-feruloylquinate
O-feruloylquinate is also known as O-feruloylquinic acid. O-feruloylquinate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). O-feruloylquinate can be found in a number of food items such as mung bean, grapefruit/pummelo hybrid, devilfish, and oil palm, which makes O-feruloylquinate a potential biomarker for the consumption of these food products.
Corynoline
Corynoline is a benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. It has a role as a metabolite, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent and a hepatoprotective agent. It is a member of isoquinolines, an organic heterohexacyclic compound, a secondary alcohol, a cyclic acetal and a benzophenanthridine alkaloid. It is functionally related to a chelidonine. Corynoline is a natural product found in Corydalis bungeana, Corydalis remota, and other organisms with data available. A benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. Corynoline is a reversible and noncompetitive acetylcholinesterase (AChE) inhibitor with an IC50 of 30.6 μM[1]. Corynoline exhibits anti-inflammatory activity by activating Nrf2[2]. Corynoline is a reversible and noncompetitive acetylcholinesterase (AChE) inhibitor with an IC50 of 30.6 μM[1]. Corynoline exhibits anti-inflammatory activity by activating Nrf2[2].
Reminyl
Galantamine Hydrobromide is the hydrobromide salt form of galantamine, a tertiary alkaloid obtained synthetically or naturally from the bulbs and flowers of Narcissus and several other genera of the Amaryllidaceae family with anticholinesterase and neurocognitive-enhancing activities. Galantamine competitively and reversibly inhibits acetylcholinesterase, thereby increasing the concentration and enhancing the action of acetylcholine (Ach). In addition, galantamine is a ligand for nicotinic acetylcholine receptors, which may increase the presynaptic release of Ach and activate postsynaptic receptors. This agent may improve neurocognitive function in mild and moderate Alzheimer s disease and may reduce abstinence-induced cognitive symptoms that promote smoking relapse. A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders. See also: Galantamine (has active moiety). Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3]. Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3]. Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3].
8,14-Dihydro-3,4:10,11-bis(methylenedioxy)-6-methyldibenzo[c,g]azecine-5,13(6H,7H)-dione
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1h-indole-3-carboxamide
methyl 3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate
Jacobine N-oxide
A pyrrolizine alkaloid that is jacobine in which the tertiary amino function has been oxidised to the corresponding N-oxide. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2257 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 179 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 169 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 159 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 149 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 139 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 129 INTERNAL_ID 129; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 119 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 109
5b,13-dimethyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4,5:4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol
1-[4-Hydroxy-6-[2-(dimethylamino)ethyl]benzothiazole-2-yl]-3,4-dihydroisoquinoline-6-ol
2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-pyridine-3,5-dicarboxylic acid monoethyl ester|4-(2-Trifluormethylphenyl)-2,6-dimethyl-5-carbethoxypyridin-3-carbonsaeure
(E)-3-(methylsulfonyl)-propenoic acid 4-(3-methyl-2-butenyloxy)-3-methoxyphenethyl amide|O-methylsakambullin
1,2,3,10-Tetramethoxy-9-hydroxy-4,5,6,6??-dehydro-7-aporhhinone
3alpha-(3,4,5-trimethoxybenzoyloxy)tropan-6beta,7beta-diol|3alpha-(3,4,5-trimethoxybenzoyloxy)tropan-6beta,7beta-diol|Tropane-3alpha,6beta,7beta-triol 3-(3,4,5-trimethoxybenzoate)
1-Methyl-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline-2,3-dione
1,8-dihydroxy-6-(methyl)-3-methoxy-2-(piperidinium-2-yl) anthraquinone
4,10,11-trimethoxy-5,6-dihydro-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-8-one|4,5-dihydro-thalicminine|Thalicminin
4-Hydroxycapitavine|trihydroxy-5,7,4 (methyl-1 piperidinyl-2)-6 flavone
12b-hydroxy-5-methyl-13-oxo-6,7,12b,13-tetrahydro-4H-[1,3]dioxolo[4,5-g][1,3]dioxolo[4,5:7,8]isoquino[3,2-a]isoquinolinium betaine|13-Oxo-protopin|13-oxoprotopine|5-methyl-4,5,6,7-tetrahydro-[1,3]dioxolo[4,5:5,6]benzo[1,2-c][1,3]dioxolo[4,5:4,5]benzo[1,2-g]azecine-13,14-dione|5-Methyl-4,5,6,7-tetrahydro-[1,3]dioxolo[4,5:5,6]benzo[1,2-c][1,3]dioxolo[4,5:4,5]benz[1,2-g]azecin-13,14-dion|5-methyl-4,5,6,7-tetrahydro-[1,3]dioxolo[4,5:5,6]benzo[1,2-c][1,3]dioxolo[4,5:4,5]benz[1,2-g]azecine-13,14-dione|oxyprotopine
Spiro[isoquinoline-1,2-indene],1,2,3,4,2,3-hexahydro-6,7-dimethoxy-2-methyl-6,7-methylendioxy-1-oxo-
Pantoprazole sulfide
Isatidine
Isatidine is a citraconoyl group.
Reminyl
Galantamine Hydrobromide is the hydrobromide salt form of galantamine, a tertiary alkaloid obtained synthetically or naturally from the bulbs and flowers of Narcissus and several other genera of the Amaryllidaceae family with anticholinesterase and neurocognitive-enhancing activities. Galantamine competitively and reversibly inhibits acetylcholinesterase, thereby increasing the concentration and enhancing the action of acetylcholine (Ach). In addition, galantamine is a ligand for nicotinic acetylcholine receptors, which may increase the presynaptic release of Ach and activate postsynaptic receptors. This agent may improve neurocognitive function in mild and moderate Alzheimer s disease and may reduce abstinence-induced cognitive symptoms that promote smoking relapse. A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders. See also: Galantamine (has active moiety). Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3]. Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3]. Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3].
Oxypalmatine
8-Oxypalmatine is a natural product found in Berberis actinacantha, Limaciopsis loangensis, and other organisms with data available. Oxypalmatine is isolated from Phellodendron amurense[1].
Jacobine N-oxide
(+)-Bicuculline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.536 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.533 Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
Adenosine 5-succinate
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.417
picoxystrobin
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 951; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9483; ORIGINAL_PRECURSOR_SCAN_NO 9480 CONFIDENCE standard compound; INTERNAL_ID 951; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9514; ORIGINAL_PRECURSOR_SCAN_NO 9511 CONFIDENCE standard compound; INTERNAL_ID 951; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9546; ORIGINAL_PRECURSOR_SCAN_NO 9543 CONFIDENCE standard compound; INTERNAL_ID 951; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9568; ORIGINAL_PRECURSOR_SCAN_NO 9564 CONFIDENCE standard compound; INTERNAL_ID 951; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9592; ORIGINAL_PRECURSOR_SCAN_NO 9591 CONFIDENCE standard compound; INTERNAL_ID 951; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9561; ORIGINAL_PRECURSOR_SCAN_NO 9558 CONFIDENCE standard compound; INTERNAL_ID 2584 CONFIDENCE standard compound; INTERNAL_ID 8452
N-Acetyl-6-O-L-fucosyl-D-glucosamine
2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose
-O-Fucopyranosyl-2-acetamido-2-deoxyglucopyranose
TRP-Tyr
A dipeptide formed from L-tryptophan and L-tyrosine residues.
Tyr-TRP
A dipeptide formed from L-tyrosine and L-tryptophan residues.
Casuarine 6-a-D-glucoside
Zeanoside B
2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine,hydrochloride
4-(3-Chloro-4-Methoxy-benzylaMino) -2-Methylsulfanyl-pyriMidine-5-carboxylic acid ethyl ester
N2-ibu-2-OMe-rG
N2-Isobutyryl-2'-O-methylguanosine (N2-IBU-2'-OME-RG) 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].
Benzenepropanoic acid,a-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, 1,1-dimethylethyl ester,(aS)
3-(3-N-BOC-AMINO-PYRROLIDIN-1-YL)-1-(6-CHLORO-PYRIDIN-3-YL)-2-METHYL-PROPAN-1-ONE
1-(6-CHLORO-PYRIDIN-3-YL)-2-METHYL-3-(4-BOC-PIPERAZIN-1-YL)-PROPAN-1-ONE
1-(6-CHLORO-PYRIDIN-3-YL)-3-(4-BOC-PIPERAZIN-1-YL)-BUTAN-1-ONE
5-(3-CHLORO-4-FLUOROPHENYL)-3-METHYL-3-(PYRIMIDIN-5-YLMETHYL)INDOLIN-2-ONE
(1R,2S,3R,4R,5R)-4-Azido-2,3-bis(benzyloxy)-6,8-dioxabicyclo[3.2. 1]octane (non-preferred name)
1,4-Dioxino[2,3-g]quinoline-8-carboxylicacid, 10-chloro-3-(ethoxymethyl)-2,3,6,9-tetrahydro-9-oxo-, ethyl ester
4H,6H-Indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium, 5a,10b-dihydro-2-(2,4,6-trimethylphenyl)-, chloride , (5aS,10bR)
3-THIOPHEN-2-YL-6-(3,4,5-TRIMETHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE
diethyl-[2-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxyethyl]azanium,chloride
3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one,hydrochloride
TERT-BUTYL 5-BROMO-2H-SPIRO[BENZOFURAN-3,4-PIPERIDINE]-1-CARBOXYLATE
N-(1-Boc-piperidin-4-ylidene)-4-methylbenzenesulfonohydrazide
(S)-5-(BENZYLOXY)-2-(1,3-DIOXOISOINDOLIN-2-YL)-5-OXOPENTANOIC ACID
(2R,4S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-hydroxypiperidine-2-carboxylic acid
2-ACETAMIDO-2-DEOXY-3-O-(A-L-FUCOPYRANOSYL)-D-GLUCOPYRANOSE
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]
Methanone, [4-(3,4-dichlorophenyl)-1-piperazinyl](3-ethyl-5-methyl-4-isoxazolyl)-
(S)-N,N-DIMETHYL-8,9,10,11,12,13,14,15-OCTAHYDRODINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE
[4-(2,4-difluorophenyl)-2-(methylcarbamoyl)phenyl] benzoate
2-[[5-(DIBUTYLAMINO)-2-THIENYL]METHYLENE]-1H-INDENE-1,3(2H)-DIONE
5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydro thieno[3,2-c] pyridine hydrochloride
Cipro
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide,hydrochloride
(-)-alpha-(4-Chlorophenyl)benzylamine (+)-tartrate salt
Benzenepropanoic acid,a-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, 1,1-dimethylethyl ester, (aR)-
Omeprazole sodium
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Omeprazole sodium (H 16868 sodium), a proton pump inhibitor (PPI), is available for treatment of acid-related gastrointestinal disorders. Omeprazole sodium shows competitive inhibition of CYP2C19 activity with a Ki of 2 to 6 μM[1]. Omeprazole sodium also inhibits growth of Gram-positive and Gram-negative bacteria[2]. Omeprazole is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[3].
Riodipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
2,3,4,5-tetramethylcyclopentadienedimethylsilyl-tert-butylamido titanium dichloride
2-ACETAMIDO-2-DEOXY-6-O-(ALPHA-L-FUCOPYRANOSYL)-D-GLUCOPYRANOSE
2-Borono-4-(phenylmethoxy)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester
ethyl 8-cyano-7-Methoxy-2-(phenylthioMethyl)iMidazo[1,2-a]pyridine-3-carboxylate
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(2-methoxyphenyl)azo]-3-oxobutyramide
2-Acetamido-2-deoxy-4-O-(a-L-fucopyranosyl)-D-glucopyranose
(R)-(4-(1-CHLOROPYRIDO[3,4-D]PYRIDAZIN-4-YL)-3-METHYLPIPERAZIN-1-YL)(PHENYL)METHANONE
Acoziborole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Neocitrullamon
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives
Mirogabalin besylate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
[3H]dehydroepiandrosterone sulfate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(acetylamino)-2-deoxy-3-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-glucopyranose
1-ethyl-2-oxo-N-(2-pyridinylmethyl)-6-benzo[cd]indolesulfonamide
4-(1-Benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile
N-(3-hydroxypropyl)-4-[(1-oxo-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]butanamide
alpha-L-fucosyl-(1->4)-N-acetyl-beta-D-glucosamine
An amino disaccharide consisting of an alpha-L-fucosyl residue attached to N-acetyl-beta-Dglucosamine by a (1->4)-glycosidic linkage.
4-(3,4-Dimethoxyphenyl)-2-(1-piperidinyl)-6-(trifluoromethyl)pyrimidine
4-methyl-N-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]benzenesulfonamide
N-(5-methyl-3-isoxazolyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester
N-((2S,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-((((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)acetamide
N-((2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-((((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)acetamide
N-((2S,3R,4R,5S,6R)-2,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
4-{(1e)-3-Oxo-3-[(2-Phenylethyl)amino]prop-1-En-1-Yl}-1,2-Phenylene Diacetate
2-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-2H-[1,2,4]triazine-3,5-dione
2-{1-[2-Amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
prucalopride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D005765 - Gastrointestinal Agents > D054368 - Laxatives Prucalopride is an orally active, selective and specific 5-HT 4 receptor agonist (high affinity), with pKis of 8.6 and 8.1 for human 5-HT4a/4b receptors, respectively. Prucalopride improves intestinal motility by promoting regeneration of the intestinal nervous system in rats. Prucalopride also shows anticancer activity by blocking of the PI3K/AKT/mTor signaling pathway. Prucalopride can be used in studies of chronic constipation, pseudo-intestinal obstruction and cancer[1][2][3].
Galantamine Hydrobromide
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3]. Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3]. Galanthamine hydrobromide (Galantamine hydrobromide) is a selective, reversible, competitive, alkaloid AChE inhibitor, with an IC50 of 0.35 μM. Galanthamine hydrobromide is a potent allosteric potentiating ligand (APL) of human α3β4, α4β2, α6β4 nicotinic receptors ( nAChRs). Galanthamine hydrobromide is developed for the research of Alzheimer's disease (AD)[1][2][3].
Bicculine
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
2,3,10,11-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
4-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-oxobutanoic acid
[4,5-Dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
3-hydroxy-5-methoxy-6-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-(3-methylbut-2-en-1-yl)phenolate
(2R)-3-{[1-(5,6-dihydropyridin-2-yl)-2-hydroxy-2-{3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}ethyl]sulfanyl}-2-acetamidopropanoate
3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one
(1S,17S)-7,9-dihydroxy-17-methyl-5,12-dioxo-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-3-olate
(3R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
(4S)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoic acid
1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
N-(4-fluorophenyl)-2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetamide
N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide
4-[4-(Benzenesulfonyl)-1-piperazinyl]-2-methylquinoline
4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
N-{4-[bis(2-chloroethyl)amino]-2-methylbenzylidene}-2-furohydrazide
5-[(4-methoxyphenyl)sulfonylmethyl]-N-(3-methoxypropyl)-2-furancarboxamide
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine
2-[4-[2-(1-Cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester
6-[(2-Chlorophenyl)methyl]-3-(3-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinone
5-(3-Methylbenzylidene)-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]-1,3-thiazolidin-4-one
1-(4-Morpholinyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone
6-(4-morpholinyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
7-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-imino-1-benzopyran-3-carboxamide
4-Hydroxybenzoic acid [2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-isoxazolecarboxamide
N-{[5-(4-morpholinyl)-2-furyl]methylene}-3-(trifluoromethyl)benzohydrazide
methyl 2-({[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}amino)benzoate
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methoxy-3-benzofuranyl)-N-methylacetamide
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylate
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]hexanamide
N-[5-ethyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydrochloride
[1-(2,1,3-Benzothiadiazol-5-ylmethyl)-4-(2-phenylethyl)-4-piperidinyl]methanol
2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3,5-dimethoxy-6-(3-methylbut-2-en-1-yl)phenolate
(3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
7-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-5-thiazolo[3,2-a]pyrimidinone
4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
(6R)-6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
(2S,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
N-{(E)-amino[(4,7-dimethylquinazolin-2-yl)amino]methylidene}-2-(4-chlorophenyl)acetamide
Usaramine N-oxide
A pyrrolizine alkaloid that is senecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent. Usaramine N-oxide, a alkaloid isolated from Crotalaria pallida, possesses anti-inflammatory activities[1].
alpha-L-Rha-(1->3)-beta-D-GlcNAc
An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having an alpha-L-rhamnosyl residue attached at the 3-position.
beta-L-fucosyl-(1->3)-N-acetyl-beta-D-glucosamine
An amino disaccharide consisting of a beta-L-fucosyl residue attached to N-acetyl-beta-Dglucosamine by a (1->3)-glycosidic linkage.
7-O-methylluteone(1-)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylluteone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-alpha-D-rhamnopyranose
2-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-alpha-L-rhamnopyranose
2-[3-(1-piperidinyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one
(3R,6R,14aR,14bR)-3,6-dihydroxy-3-[(1R)-1-hydroxyethyl]-6-methyl-5-methylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
(2S,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2S,3S,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2S,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
(2S,3R,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
(2R,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylacetamide
(2R,3R,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2R,3R,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2S,3R,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2S,3R,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2R,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
2-(dimethylamino)-1-[(2S,3S)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
(2R,3R,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2R,3R,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2S,3R,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(1R,5S)-N-(2-chlorophenyl)-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
beta-D-GlcpNAc-(1->3)-alpha-L-Rhap
An amino disaccharide consisting of alpha-L-rhamnose having an N-acetyl beta-D-glucosaminyl residue attached at the 3-position.
(3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl beta-D-glucopyranosiduronate
1H-Isoindole-1,3(2H)-dione, 2-(4-((4-chlorophenyl)methoxy)phenyl)-4,5,6,7-tetrahydro-
12-deoxynogalonate(1-)
An oxo monocarboxylic acid anion that is the conjugate base of 12-deoxynogalonic acid, obtained by deprotonation of the carboxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
testosterone sulfate(1-)
A steroid sulfate oxoanion that is the conjugate base of testosterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose
N-[2-(4-Chloro-phenyl)-acetyl]-N-(4,7-dimethyl-quinazolin-2-yl)-guanidine
trans-3-hydroxycotinine beta-D-glucuronide(1-)
A carbohydrate acid derivative anion that is the conjugate base of trans-3-hydroxycotinine beta-D-glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3.
dehydroepiandrosterone sulfate(1-)
The conjugate base of 3beta-hydroxyandrost-5-en-17-one 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3.
4-O-feruloyl-D-quinate
The conjugate base of 4-O-feruloyl-D-quinic acid; major species at pH 7.3.
dehydrojacoline
A pyrrolizine alkaloid that is jacoline in which the 5-methyl group has been replaced by methylene.
beta-D-GlcpNAc-(1->2)-alpha-L-Rhap
An amino disaccharide consisting of alpha-L-rhamnose having an N-acetyl beta-D-glucosaminyl residue attached at the 2-position.
beta-D-GlcpNAc-(1->4)-alpha-D-Rhap
An amino disaccharide consisting of an alpha-D-rhamnos residue having an N-acetyl-beta-D-glucosaminyl residue attached at the 4-position.
alpha-L-Fucp-(1->3)-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-D-glucosamine having an alpha-L-fucosyl residue attached at the 3-position.
alpha-L-fucosyl-(1->3)-N-acetyl-beta-D-glucosamine
An amino disaccharide consisting of an alpha-L-fucosyl residue attached to N-acetyl-beta-Dglucosamine by a (1->3)-glycosidic linkage.
2′,3′-Di-O-acetylguanosine
2′,3′-Di-O-acetylguanosine is a nucleoside analog[1].
APTO-253
APTO-253 (LOR-253) is a small molecule that inhibits c-Myc expression, stabilizes G-quadruplex DNA, and induces cell cycle arrest and apoptosis in acute myeloid leukemia cells. APTO-253 mediates anticancer activity through induction of the Krüppel-like factor 4 (KLF4) tumor suppressor[1][2]. APTO-253 has antiarthritic activity[3].
7,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁸.0¹³,¹⁷]heptadeca-1,3,7,9(17),11,13,15-heptaene-5,6-dione
5-hydroxy-7,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁸.0¹³,¹⁷]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one
11-hydroxy-6,7-dimethoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one
11-hydroxy-6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,10,13,15-octaen-12-one
3-hydroxy-6-[2-(1-hydroxypentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2s,3r,4s,5r,6r)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxy}oxan-3-yl]ethanimidic acid
(1r,4e,6r,7s,14s,17r)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-en-14-ium-14-olate
5,6,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,9,14(18),15-heptaene-12,13-dione
6-hydroxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-en-5-yl acetate
1,2,3,10-tetramethoxy-9-hydroxy-4,5,6,6α-dehydro-7-aporhhinone
{"Ingredient_id": "HBIN000553","Ingredient_name": "1,2,3,10-tetramethoxy-9-hydroxy-4,5,6,6\u03b1-dehydro-7-aporhhinone","Alias": "NA","Ingredient_formula": "C20H17NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-14-epicorynoline
{"Ingredient_id": "HBIN001452","Ingredient_name": "(+)-14-epicorynoline","Alias": "NA","Ingredient_formula": "C21H21NO5","Ingredient_Smile": "CC12C(CC3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6873","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Adlumidine
{"Ingredient_id": "HBIN014725","Ingredient_name": "Adlumidine","Alias": "(6S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one; AKOS015969713; Bio-0307; ST019394; SCHEMBL7913545; adlumidine; (6S)-6-((5S)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxolano[4,5-g]isoquinolin-5- yl))-6-hydro-2H-1,3-dioxoleno[4,5-e]isobenzofuran-8-one; (10S)-10-[(5S)-6-METHYL-2H,5H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-YL]-3,5,11-TRIOXATRICYCLO[7.3.0.0(2),?]DODECA-1,6,8-TRIEN-12-ONE; LS-70681; XM638185BP; (6S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one; AC1L3RDP; UNII-XM638185BP; Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3- dioxolo(4,5-g)isoquinolin-5-yl-, (S-(R*,R*))-; ZINC19632769; BG01655478; d-Adlumidine; 550-49-2","Ingredient_formula": "C20H17NO6","Ingredient_Smile": "CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3","Ingredient_weight": "367.35","OB_score": "66.54876495","CAS_id": "550-49-2","SymMap_id": "SMIT03306;SMIT14179","TCMID_id": "642","TCMSP_id": "MOL000780","TCM_ID_id": "7145;20980;24395","PubChem_id": "120734","DrugBank_id": "NA"}
