Exact Mass: 335.1369
Exact Mass Matches: 335.1369
Found 500 metabolites which its exact mass value is equals to given mass value 335.1369,
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].
trifluralin
D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 123 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
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].
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
(+)-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
Mitomycin B
7-demethylmitomycin A
A member of the family of mitomycins that is mitomycin A in which the methoxy group on the quinone ring is replaced by a hydroxy group.
gamma-Glutamyl-S-methylcysteinyl-beta-alanine
gamma-Glutamyl-S-methylcysteinyl-beta-alanine is found in pulses. gamma-Glutamyl-S-methylcysteinyl-beta-alanine is a constituent of the seeds of the mung bean (Vigna radiata). Constituent of the seeds of the mung bean (Vigna radiata). gamma-Glutamyl-S-methylcysteinyl-beta-alanine is found in pulses.
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-Amino-5-[[1-(carboxymethylamino)-3-ethylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester
1-(4,5-Dimethylthiazol-2-yl)-3,5-diphenylformazan
Ramixotidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
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
3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyl-2,3-dihydro-1H-tetrazole
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
2-Amino-3-({4-[4-(tert-butyl)-1,3-thiazol-2-yl]benzylidene}amino)but-2-enedinitrile
5(6)-1(2H)-Phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-thienyl)-, diethyl ester
3-Deoxy-3-methylaminoxylose-1,2-O-Isopropylidene, N-Ac, 5-benzyl
7-Senecioyl-9-sarracinoyl retronecine|7-senecioyl-9-sarracinylretronecine
2-C-(4-methoxyindol-3-ylmethyl)-beta-L-xylo-3-hexulofuranosonic acid gamma-lactone|4-methoxyascorbigen
3-[[2-Carboxy-2-(acetylamino)ethyl]thio]-4-hydroxynonanoic acid
2-acetamido-3-(3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoylthio)propanoic acid|JBIR-69
3-Phenyl-5-(3-methyl-2-butenyl)-6-methoxy-8-hydroxyisoquinoline-1(2H)-one
O1-(6-amino-[2]naphthyl)-beta-D-glucopyranuronic acid|O1-(6-Amino-[2]naphthyl)-beta-D-glucopyranuronsaeure
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].
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.
S-Methylhomoglutathione
(3R,4S)-tert-Butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
mtt formazan
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D005562 - Formazans
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
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]benzoic acid
6-AMINO-2-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-OLHYDROCHLORIDE
2-((tert-Butyldimethylsilyloxy)methyl)-6-(trimethylsilyl)furo[3,2-b]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
1-[[2,4,6-Tris(isopropyl)phenyl]sulfonyl]-1H-1,2,4-triazole
N-[(2S)-1-Phenyl-2-propanyl]-L-lysinamide dihydrochloride
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
Spiromustine
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
tert-butyl N-tert-butoxycarbonyl-n-(7h-purin-6-yl)carbamate
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
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].
tert-butyl 6-fluoro-4-oxospiro[3H-chromene-2,4-piperidine]-1-carboxylate
Ethyl 2-cyclopropyl-4-(4-fluorophenyl)-quinolyl-3-carboxylate
{[(4-Ethyl-2,3-Dioxo-1-Piperazinyl) Carbonyl]Amino}-4-Hydroxy-Benzene Acetic Acid
Benzeneacetic acid, a-hydroxy-a-phenyl-, 2-(dimethylamino)ethylester, hydrochloride (9CI)
(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-(4-hydroxyphenyl)acetic acid
4-[(2,2-Dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoic acid methyl ester
9,9-dimethyl-N-(naphthalen-2-yl)-9H-fluoren-2-amine
O-(Phenylmethyl)-L-threonine phenylmethyl ester hydrochloride
2-(benzyloxycarbonyl)-3-(quinolin-4-yl)propanoic acid
ethyl 2-piperazine-4-(3-fluoro)phenyl thiazole-5-carboxylate
(9H-FLUOREN-9-YL)METHYL (4-OXOCYCLOHEXYL)CARBAMATE
Boxidine
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
1-(9-ANTHRACENYLMETHYL)-4-PHENYL-1H-[1,2,3]TRIAZOLE
S-Ethyl glutathione
D020011 - Protective Agents > D011837 - Radiation-Protective 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
2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone
N2-(4-fluorophenyl)-6-(3-methyl-2-benzofuranyl)-1,3,5-triazine-2,4-diamine
6-Amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-G]quinazolin-8-one
6-Chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1H)-one
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
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
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.
7-demethylmitomycin B
A member of the family of mitomycins that is mitomycin B in which the methoxy group on the quinone ring is replaced by a hydroxy group.
(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
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
3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyl-2,3-dihydro-1H-tetrazole
2-Amino-5-[[1-(carboxymethylamino)-3-ethylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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
3-(2-fluorobenzyl)-5-(1H-indol-3-ylmethylene)-2,4-imidazolidinedione
6-(3-furanyl)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
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
8-Methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidobenzofuro[3,2-c]pyridin-2-ium
4-[1-[(3-Methoxy-4-methylphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
1-[(4-Tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole
3-methyl-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]benzamide
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propyl-2-pyridinecarboxamide
ethyl 2-{[(E)-(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}-5-methylthiophene-3-carboxylate
2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-(2-methyl-1H-indol-3-yl)ethanone
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-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methoxybenzohydrazide
N-[(1E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-3-fluorobenzohydrazide
Met-Ala-Asp
A tripeptide composed of L-methionine, L-alanine and L-aspartic acid joined in sequence by peptide linkages.
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
[(4S,6S,7R)-11,13-dihydroxy-7-methoxy-12-methyl-10-oxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),8,11-trien-8-yl]methyl carbamate
[(4S,6S,7R)-7,11,13-trihydroxy-5,12-dimethyl-10-oxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),8,11-trien-8-yl]methyl carbamate
(2S)-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
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.
trifluralin
D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
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
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].
Glutathione ethyl ester
Glutathione ethyl ester is a cell-permeable GSH donor and provides an efficient supply of GSH to the oocyte. Glutathione ethyl ester shows positive effect on the in vitro production of embryos by enhancement of the antioxidative defense[1].
LAS101057
LAS101057 is a potent, selective, and orally efficacious A2B receptor antagonist.
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].
N-Formyl-Met-Ala-Ser
N-Formyl-Met-Ala-Ser is a peptide, binds to formyl peptide receptors on neutrophils.
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].
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-(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
5-{5-[(acetyloxy)methyl]-6-methyl-4-oxatricyclo[3.3.1.0²,⁷]nonan-2-yl}-2-methyl-4-oxopent-2-enimidic acid
(2r)-2-[(2s)-6-[(1r)-1-carboxyethyl]-4-hydroxy-7-oxo-2h,3h,5h-furo[2,3-f]isoindol-2-yl]propanoic 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
3-[(3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoyl)sulfanyl]-2-[(1-hydroxyethylidene)amino]propanoic acid
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"}
