Exact Mass: 335.1667
Exact Mass Matches: 335.1667
Found 500 metabolites which its exact mass value is equals to given mass value 335.1667,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Senecionine
Senecionine is a pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. It has a role as a plant metabolite. It is a lactone, a pyrrolizidine alkaloid and a tertiary alcohol. It is functionally related to a senecionan. It is a conjugate base of a senecionine(1+). Senecionine is a natural product found in Dorobaea pimpinellifolia, Crotalaria micans, and other organisms with data available. Senecionine is an organic compound with the chemical formula C18H25NO5. It is classified as a pyrrolizidine alkaloid. See also: Petasites hybridus root (part of); Tussilago farfara flower (part of); Tussilago farfara leaf (part of). A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. D000970 - Antineoplastic Agents Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2251 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 122 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 102 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 142 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 152 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 162 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 172 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 132 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 112 [Raw Data] CB082a_Senecionine_pos_40eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_10eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_30eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_20eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_50eV_CB000034.txt Senecionine (Senecionan-11,16-dione, 12-hydroxy-) is a pyrrolizidine alkaloid could be isolated from Senecio vulgaris. Senecionine decreases the activities of glutathione S-transferase, aminopyrine demethylase and arylhydrocarbon hydroxylase (AHH)[1][2][3]. Senecionine (Senecionan-11,16-dione, 12-hydroxy-) is a pyrrolizidine alkaloid could be isolated from Senecio vulgaris. Senecionine decreases the activities of glutathione S-transferase, aminopyrine demethylase and arylhydrocarbon hydroxylase (AHH)[1][2][3].
N-acetylglucosaminylasparagine
Aspartylglycosamine, also known as n4-(beta-N-acetyl-D-glucosaminyl)-L-asparagine or 1-beta-aspartyl-N-acetyl-D-glucosaminylamine, is a member of the class of compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Aspartylglycosamine is soluble (in water) and a moderately acidic compound (based on its pKa). Aspartylglycosamine can be found primarily in urine, as well as in human spleen tissue. Within the cell, aspartylglycosamine is primarily located in the cytoplasm. Moreover, aspartylglycosamine is found to be associated with aspartylglucosaminuria, which is an inborn error of metabolism. Large amount of aspartylglycosamine appears in patients with aspartylglycosaminuria corresponding to decreased activity of aspartylglycosamine amido hydrolase. Large amount of aspartylglycosamine appears in patients with aspartylglycosaminuria, which is a metabolic disorder associated with decreased activity of aspartylglycosamine amido hydrolase. [HMDB]
isopentenyl adenosine
Riboprine, also known as isopentenyladenosine or ipa, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Riboprine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Riboprine can be found in a number of food items such as peppermint, chinese mustard, custard apple, and green bean, which makes riboprine a potential biomarker for the consumption of these food products. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Acquisition and generation of the data is financially supported in part by CREST/JST. Same as: D05726 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
Hydroxychloroquine
Hydroxychloroquine is only found in individuals that have used or taken this drug. It is a chemotherapeutic agent that acts against erythrocytic forms of malarial parasites.Although the exact mechanism of action is unknown, it may be based on ability of hydroxychloroquine to bind to and alter DNA. Hydroxychloroquine has also has been found to be taken up into the acidic food vacuoles of the parasite in the erythrocyte. This increases the pH of the acid vesicles, interfering with vesicle functions and possibly inhibiting phospholipid metabolism. In suppressive treatment, hydroxychloroquine inhibits the erythrocytic stage of development of plasmodia. In acute attacks of malaria, it interrupts erythrocytic schizogony of the parasite. Its ability to concentrate in parasitized erythrocytes may account for their selective toxicity against the erythrocytic stages of plasmodial infection. As an antirheumatic, hydroxychloroquine is thought to act as a mild immunosuppressant, inhibiting the production of rheumatoid factor and acute phase reactants. It also accumulates in white blood cells, stabilizing lysosomal membranes and inhibiting the activity of many enzymes, including collagenase and the proteases that cause cartilage breakdown. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Senecivernine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2276
Naratriptan
Naratriptan is only found in individuals that have used or taken this drug. It is a triptan drug used for the treatment of migraine headaches. It is a selective 5-hydroxytryptamine1 receptor subtype agonist.Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Ankorine
A pyridoisoquinoline that is 1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline which is substituted at positions 2, 3, and 8 by 2-hydroxyethyl, ethyl, and hydroxy groups, respectively, and by methoxy groups at positions 9 and 10 (the 2R,3R,11bS stereoisomer). It is a benzo[a]quinolizidine alkaloid isolated from the Indian medicinal plant Alangium lamarckii.
(+)-Validoxylamine-A
An amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. Validoxylamine A is an amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It has a role as an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor, a bacterial metabolite, an antibiotic insecticide and an animal metabolite. It is an amino cyclitol and a secondary amino compound. It is functionally related to a validamine. It is a conjugate base of a validoxylamine A(1+). Validoxylamine A is a natural product found in Apis ceran
Lobelanine
Lobelanine is a member of acetophenones. Lobelanine is a natural product found in Lobelia sessilifolia, Lobelia inflata, and other organisms with data available. Lobelanine (8,10-Diphenyllobelidione) is a chemical precursor for the biosynthesis of Lobeline. Lobeline is a partial nicotinic agonist and is used as a smoking cessation agent[1][2]. Lobelanine (8,10-Diphenyllobelidione) is a chemical precursor for the biosynthesis of Lobeline. Lobeline is a partial nicotinic agonist and is used as a smoking cessation agent[1][2].
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide is found in fruits. N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide is an alkaloid from the leaves of Aegle marmelos (bael fruit
Almotriptan
Almotriptan is a triptan drug for the treatment of migraine headaches. Almotriptan is in a class of medications called selective serotonin receptor agonists. It works by narrowing blood vessels in the brain, stopping pain signals from being sent to the brain, and stopping the release of certain natural substances that cause pain, nausea, and other symptoms of migraine. Almotriptan does not prevent migraine attacks. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].
Tryptophyl-Methionine
Tryptophyl-Methionine is a dipeptide composed of tryptophan and methionine. 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.
Methionyl-Tryptophan
Methionyl-Tryptophan is a dipeptide composed of methionine 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.
Integerrimine
2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone
Acarviosin
Alkaloid A
Dansylcadaverine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Diethylenetriaminetetraacetic acid
Ramixotidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
2-(4-(Benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridine
3-[(2-Aminoethylamino)methyl]-3-[bis(carboxymethyl)amino]pentanedioic acid
N-6-Isopent-2-enyl-adenosine
N-6-isopent-2-enyl-adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). N-6-isopent-2-enyl-adenosine can be found in wild celery, which makes N-6-isopent-2-enyl-adenosine a potential biomarker for the consumption of this food product.
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[o-(dimethylamino)phenyl]-2,3-dihydro-5-methoxy-
Cloquintocet-mexyl
CONFIDENCE standard compound; INTERNAL_ID 286; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10219; ORIGINAL_PRECURSOR_SCAN_NO 10218 CONFIDENCE standard compound; INTERNAL_ID 286; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10248; ORIGINAL_PRECURSOR_SCAN_NO 10246 CONFIDENCE standard compound; INTERNAL_ID 286; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10275; ORIGINAL_PRECURSOR_SCAN_NO 10273 CONFIDENCE standard compound; INTERNAL_ID 286; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10288; ORIGINAL_PRECURSOR_SCAN_NO 10286 CONFIDENCE standard compound; INTERNAL_ID 286; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10259; ORIGINAL_PRECURSOR_SCAN_NO 10258 CONFIDENCE standard compound; INTERNAL_ID 286; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10304; ORIGINAL_PRECURSOR_SCAN_NO 10302
3-Deoxy-3-methylaminoxylose-1,2-O-Isopropylidene, N-Ac, 5-benzyl
3-ethyl-2-(2-hydroxy-ethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-11-ol|Ankorin
7-Senecioyl-9-sarracinoyl retronecine|7-senecioyl-9-sarracinylretronecine
11-hydroxy-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
3-[[2-Carboxy-2-(acetylamino)ethyl]thio]-4-hydroxynonanoic acid
3-Phenyl-5-(3-methyl-2-butenyl)-6-methoxy-8-hydroxyisoquinoline-1(2H)-one
4-Acetoxy-1,3,5,6-tetramethoxy-2-(N-methylacetylamino)hexane
2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethanone
7-((S)-2,3-Dihydroxy-3-methyl-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]chinolin-8-on|7-((S)-2,3-dihydroxy-3-methyl-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|Hydroxylunidin|Hydroxylunidine|Isoorixin|isoorixine
2-Deoxyribosylzeatin|2-Deoxyzeatin 9-beta-D-ribofuranoside|2-deoxyzeatin riboside|6-(4-hydroxy-3-methylbut-trans-2-enylamino)-9-beta-2-deoxy-D-ribofuranosylpurine|9-(2-deoxy-beta-D-ribofuranosyl)-trans-zeatin|cytokinin
3alpha-hydroxy-6beta-(3-hydroxy-2-methyl-3-phenylpropionyloxy)-7beta-hydroxytropane
Squalidin
Integerrimine is a macrolide. Integerrimine is a natural product found in Crotalaria micans, Tussilago farfara, and other organisms with data available. See also: Petasites hybridus root (part of). D000970 - Antineoplastic Agents
isopentenyl-Adenosine-[d6]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Isopentenyl-Adenosine
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Isopentenyladenosine
N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
(E)-methyl 11-(5-carbamoyl-4-oxo-4H-pyran-2-yl)undec-10-enoate_120105
N6-Isopentenyladenosine
N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
Riboprine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Same as: D05726 CONFIDENCE standard compound; INTERNAL_ID 306 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
hydroxychloroquine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2741
Almotriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].
Met-TRP
A dipeptide formed from L-methionine and L-tryptophan residues.
N-Cinnamoyl-p-prenyloxyphenethylamine
4-(4-nitrophenethyl)piperazine-1-carboxylic acid tert butyl ester
4-(4-nitrobenzylamino)piperidine-1-carboxylic acid tert-butyl ester
(3R,4S)-tert-Butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 6-BORONO-3,4-DIHYDRO-, 2-(1,1-DIMETHYLETHYL) 3-METHYL ESTER
2-N-BOC-8-METHOXY-2-METHYLAMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLICACID
(3S,4S)-BENZYL 3-AMINO-4-((TERT-BUTOXYCARBONYL)AMINO)PYRROLIDINE-1-CARBOXYLATE
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]benzoic acid
2-((tert-Butyldimethylsilyloxy)methyl)-6-(trimethylsilyl)furo[3,2-b]pyridine
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-{2-[(trimethylsilyl)oxy]propan-2-yl}pyridine
3-BENZYLOXY-1-TERT-BUTOXYCARBONYLAMINO-CYCLOPENTANECARBOXYLIC ACID
2-(4-[5-(TRIFLUOROMETHYL)-2-PYRIDYL]PIPERAZINO)BENZALDEHYDE
N6-Cyclopentyladenosine
N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2]. N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2].
(3R,4S)-1-tert-butoxycarbonyl-3-(2-ethoxyethoxy)-4-phenyl-2-azetidione
N-(ADAMANTAN-2-YL)-2-(NAPHTHALEN-2-YLOXY)ACETAMIDE
1-BOC-4-(CARBOXY-PYRIDIN-4-YL-METHYL)-[1,4]DIAZEPANE
1-[[2,4,6-Tris(isopropyl)phenyl]sulfonyl]-1H-1,2,4-triazole
1-BOC-4-(CARBOXY-PYRIDIN-3-YL-METHYL)-[1,4]DIAZEPANE
N-[(2S)-1-Phenyl-2-propanyl]-L-lysinamide dihydrochloride
Benzoic acid,2-[[2-(phenylmethylene)heptylidene]amino]-, methyl ester
N-(2,2-DIMETHOXY-ETHYL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
Nylidrin hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4-Chloro-6-methoxy-7-(3-piperidin-1-yl-propoxy)-quinazoline
1-(1-ANTHRACENYLMETHYL)-4-PHENYL-1H-[1,2,3]TRIAZOLE
tert-butyl N-tert-butoxycarbonyl-n-(7h-purin-6-yl)carbamate
3-phenyl-1-(6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-ylmethyl)pyrrolidine
2-Methyl-2-propanyl 3-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1- piperidinecarboxylate
2-Methyl-2-propanyl 3-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-1- piperidinecarboxylate
Methyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2 -yl}butanoate
Isoetharine mesylate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents Isoetharine (Isoetarine) mesylate is an orally active selective agonist of β-adrenergic receptors. Isoetharine mesylate is a catechol-like agent and catechol O-methyltransferase (COMT) mediates its methylation. Isoetharine mesylate can promote the production of cAMP which stimulates the relaxation of smooth muscle cells and can be used as an emphysema, bronchitis and bronchodilator[1][2].
4-(5-ETHOXYCARBONYL-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 6-fluoro-4-oxospiro[3H-chromene-2,4-piperidine]-1-carboxylate
tert-Butyl 4-(2-nitrobenzylamino)piperidine-1-carboxylate
Ethyl 2-cyclopropyl-4-(4-fluorophenyl)-quinolyl-3-carboxylate
Ontazolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
Benzeneacetic acid, a-hydroxy-a-phenyl-, 2-(dimethylamino)ethylester, hydrochloride (9CI)
(S)-5-[(Biphenyl-4-yl)methyl]-1-(2,2-dimethylpropionyl)pyrrolidin-2-one
9,9-dimethyl-N-(naphthalen-2-yl)-9H-fluoren-2-amine
O-(Phenylmethyl)-L-threonine phenylmethyl ester hydrochloride
4-(3-(tert-butoxycarbonyl(cyclopropyl)aMino)propoxy)phenylboronic acid
4-(4,4-Difluoro-1,3,5,7-tetraMethyl-4-bora-3a,4a-diaza-s-indacene-8-yl)-butyric Acid
(9H-FLUOREN-9-YL)METHYL (4-OXOCYCLOHEXYL)CARBAMATE
Boxidine
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
tert-Butyl 4-(((2-nitrophenyl)amino)methyl)piperidine-1-carboxylate
1-(9-ANTHRACENYLMETHYL)-4-PHENYL-1H-[1,2,3]TRIAZOLE
N-(4,4-Diphenyl-3-butenyl)nipecotic acid
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents
Coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-
4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
6-Amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-G]quinazolin-8-one
(3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-[(Butylsulfanyl)methyl]pyrrolidin-3-Ol
3-{[(9-Cyano-9,10-dihydro-10-methylacridin-9-YL)carbonyl]amino}propanoic acid
2-{5-[Amino(iminio)methyl]-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate
Tert-Butyl 4-(3-Thiophen-2-Yl-1,2,4-Oxadiazol-5-Yl)piperidine-1-Carboxylate
3-[4-(1-Formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion
Zwitterionic form of N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
(2R,3S,9R)-5-acetyl-8,8-dimethyl-6-oxo-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-4-olate
(1R,4Z,6R,7R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Strychnine(1+)
An indole alkaloid cation obtained by protonation of the tertiary amino group of strychnine.
2-[2-[(3-Amino-3-carboxypropyl)amino]-2-oxoethyl]-4-(2-aminoethoxy)-2-hydroxy-4-oxobutanoic acid
Pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl(1,6)dioxacyclododecino(2,3,4-gh)-
D000970 - Antineoplastic Agents
(5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-One
Thr-Thr-Asp
A tripeptide composed of two L-threonine units and L-aspartic acid joined by peptide linkages.
4-methyl-N-[(2-methylquinolin-4-yl)methyl]-3-nitrobenzamide
4-[[6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-yl]amino]benzoic acid methyl ester
5-[(3-Methylanilino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methylbenzyl)-1H-pyrazole-3-carboxamide
2-[[anilino(oxo)methyl]amino]-N-(2-furanylmethyl)benzamide
4-[3-(4-Methoxyanilino)-3-oxopropyl]-1-piperazinecarboxylic acid ethyl ester
4-[1-[(3-Methoxy-4-methylphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
1-[(4-Tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propyl-2-pyridinecarboxamide
5-(4-Methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-4-pyridinecarboxamide
(2R)-heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
(1Z)-1-[(6aR,11aS,11bR)-7,7-dimethyl-9,11-dioxo-2,6a,7,11,11a,11b-hexahydro-6H-pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indol-10(9H)-ylidene]ethanolate
N-[(1E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-3-fluorobenzohydrazide
(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
(2S)-heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
3-(1H-indol-3-yl)-2-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]propanoic acid
Ethyl (Z)-2-cyano-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoate
2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile
4-[(Z)-[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]-2-ethoxyphenol
2-(1,1-Dimethyl-2-propenyl)-3-(1-hydroxy-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3-ylmethyl)-1H-indole
6-Methoxy-3-methyl-9-[2-(6-methylpyridin-3-yl)ethyl]-1,2,3,4-tetrahydro-gamma-carboline
2-Benzyl-4-methyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
naratriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
N-Acetylglucosaminylasparagine
An N(4)-glycosyl-L-asparagine having (beta-N-acetyl-D-glucosaminyl as the glycosyl component.
Dansylcadaverine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
2-[6-(Cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide
alpha-cyclopiazonate
An organic anion that is the conjugate base of alpha-cyclopiazonic acid; major species at pH 7.3.
N(6)-(delta(2)-Isopentenyl)adenosine
A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group.
N-(2-Methoxybenzyl)-2-(4-chloro-2,5-dimethoxyphenyl)ethanamine
AMPA receptor modulator-3
AMPA receptor modulator-3 is an allosteric AMPA receptor modulator (EC50: 4.4 μM). AMPA receptor modulator-3 can be used in the research of mammalian nervous system, such as learning and memory[1][2].
Longdaysin
Longdaysin is a inhibitor of the Wnt/β-catenin signaling pathway, which exerts antitumor effect through blocking CK1δ/ε-dependent Wnt signaling. Longdaysin inhibits CK1α, CK1δ, CDK7, and ERK2 with IC50s of? 5.6 μM, 8.8 μM, 29 μM, and 52 μM, respectively[1][2].
NL-1
NL-1 is a mitoNEET inhibitor with antileukemic effect. NL-1 inhibits REH and REH/Ara-C cells growth with IC50s of 47.35 μM and 56.26 μM, respectively. NL-1-mediated death in leukemic cells requires the activation of the autophagic pathway[1].
PPARγ-IN-2
PPARγ-IN-2 (Compound 5a) is a PPARγ inhibitor. PPARγ-IN-2 inhibits TG accumulation in 3T3-L1 preadipocytes (EC50: 0.106 μM). PPARγ-IN-2 inhibits high-cholesterol diet (HFC)-induced obesity and related metabolic syndrome, and reduces lipid accumulation in adipose tissue[1].
VU0364289
VU0364289 is a highly selective mGlu5 positive allosteric modulator (PAM) (binds to the MPEP (HY-14609A) site), with an EC50 of 1.6 μM. VU0364289 can reverse amphetamine-induced hyperlocomotion in a dose-dependent manner, which can be used for schizophrenia and other psychiatric research[1][2][3].
5-(3-amino-3-carboxypropyl)-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-8-carboxylic acid
5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
2-{2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl}aniline
(2r,3s,5r)-5-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
(1r,4e,6s,7r,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1'r,2r,4s,4'r,7's)-4-methyl-4'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-11'-oxa-5'-azaspiro[oxolane-2,10'-tricyclo[5.3.1.0¹,⁵]undecan]-5-one
(1s,13s,15s)-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
5-{5-[(acetyloxy)methyl]-6-methyl-4-oxatricyclo[3.3.1.0²,⁷]nonan-2-yl}-2-methyl-4-oxopent-2-enimidic acid
n-({2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl}methyl)ethanimidic acid
2-(2-hydroxypropan-2-yl)-4,7,8-trimethoxy-2h,3h-furo[2,3-b]quinolin-3-ol
(1r,4e,7r,11s,17r)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
n-{[(2r,4s)-2-[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}ethanimidic acid
(4e)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
3α-(3',4',5'-trimethoxybenzoyloxy)tropane
{"Ingredient_id": "HBIN007914","Ingredient_name": "3\u03b1-(3',4',5'-trimethoxybenzoyloxy)tropane","Alias": "NA","Ingredient_formula": "C18H25NO5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21880","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adhatodine
{"Ingredient_id": "HBIN014711","Ingredient_name": "adhatodine","Alias": "NA","Ingredient_formula": "C20H21N3O2","Ingredient_Smile": "CNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
