Exact Mass: 413.1192
Exact Mass Matches: 413.1192
Found 279 metabolites which its exact mass value is equals to given mass value 413.1192,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(-)-alpha-Narcotine
(-)-alpha-Narcotine is found in opium poppy. (-)-alpha-Narcotine is an alkaloid from Papaver somniferum (opium poppy).Noscapine (also known as Narcotine, Nectodon, Nospen, and Anarcotine) is a benzylisoquinoline alkaloid from plants of the Papaveraceae family, without significant painkilling properties. This agent is primarily used for its antitussive (cough-suppressing) effects. It has also been shown to have anticancer activity. (Wikipedia). R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents Alkaloid from Papaver somniferum (opium poppy) D002491 - Central Nervous System Agents
13E-Tetranor-16-carboxy-LTE4
13E-tetranor-16-carboxy-LTE4 is a metabolite through lipid oxidation of Leukotriene E4 (LTE4).Leukotriene E4 (LTE4) is a cysteinyl leukotriene. Cysteinyl leukotrienes (CysLTs) are a family of potent inflammatory mediators that appear to contribute to the pathophysiologic features of allergic rhinitis. Nasal blockage induced by CysLTs is mainly due to dilatation of nasal blood vessels, which can be induced by the nitric oxide produced through CysLT1 receptor activation. LTE4, activate contractile and inflammatory processes via specific interaction with putative seven transmembrane-spanning receptors that couple to G proteins and subsequent intracellular signaling pathways. LTE4 is metabolized from leukotriene C4 in a reaction catalyzed by gamma-glutamyl transpeptidase and a particulate dipeptidase from kidney. (PMID: 12607939, 12432945, 6311078). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 13E-tetranor-16-carboxy-LTE4 is a metabolite through lipid oxidation of Leukotriene E4 (LTE4).Leukotriene E4 (LTE4) is a cysteinyl leukotriene. Cysteinyl leukotrienes (CysLTs) are a family of potent inflammatory mediators that appear to contribute to the pathophysiologic features of allergic rhinitis. Nasal blockage induced by CysLTs is mainly due to dilatation of nasal blood vessels, which can be induced by the nitric oxide produced through CysLT1 receptor activation. LTE4, activate contractile and inflammatory processes via specific interaction with putative seven transmembrane-spanning receptors that couple to G proteins and subsequent intracellular signaling pathways. LTE4 is metabolized from leukotriene C4 in a reaction catalyzed by gamma-glutamyl transpeptidase and a particulate dipeptidase from kidney. (PMID: 12607939, 12432945, 6311078)
(±)-alpha-Narcotine
(±)-alpha-Narcotine is formed in opium, as an artifact. Formed in opium, prob. as an artifact
Piperazine, 1-((1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methyl-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
5-{2-Fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
EGFR Inhibitor
Fosdevirine
Glucose lactate glutamate
1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (3R)-
3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester
2-methyl-3-hydroxybutanenitrile beta-D-glucopyranoside 6-O-gallate|supinanitriloside D
L-|A-Glutamyl-S-[(4-hydroxyphenyl)methyl]-L-cysteinylglycine
(R)-2-hydroxy-2-methylbutanenitrile beta-D-glucopyranoside 6-O-gallate|(R)-lotaustralin 6-O-gallate|supinanitriloside C
bruceolline N
An indole alkaloid that is 2,3-dihydro-1H-indole substituted by hydroxy group at position 3, a 2,3-dihydroxy-3-methylbutyl group at position 3, an oxo group at position 2 and a beta-D-glucopyranosyl group attached to the indolic nitrogen. It has been isolated from the ethanol extract of the stems of Brucea mollis.
2-hydroxymethylbutanenitrile beta-D-glucopyranoside 6-O-gallate|supinanitriloside A 6-O-gallate|supinanitriloside B
beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-L-alanyl]glucopyranoside
3-hydroxy-3-methylbutanenitrile beta-D-glucopyranoside 6-O-gallate|supinanitriloside E
S-(4-Hydroxybenzyl)glutathione
S-(4-Hydroxybenzyl)glutathione is a natural product found in Gastrodia elata with data available. S-(4-Hydroxybenzyl)glutathione is a glutathione derivative. S-(4-Hydroxybenzyl)glutathione inhibits the in vitro binding of kainic acid to brain glutamate receptors, with an IC50 of 2 μM[1].
Noscapine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.727 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.725 IPB_RECORD: 1361; CONFIDENCE confident structure CONFIDENCE standard compound; EAWAG_UCHEM_ID 3024
S,R-Noscapine
Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2481; CONFIDENCE confident structure
Sumatriptan succinate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan succinate (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan succinate can be used for migraine headache research[1][2][3][4].
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one
Longatin
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids, Noscapine alkaloids D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
Gly His Asn Ser
Gly His Ser Asn
Gly Asn His Ser
Gly Asn Ser His
Gly Ser His Asn
Gly Ser Asn His
His Gly Asn Ser
His Gly Ser Asn
His Asn Gly Ser
His Asn Ser Gly
His Ser Gly Asn
His Ser Asn Gly
Asn Gly His Ser
Asn Gly Ser His
Asn His Gly Ser
Asn His Ser Gly
Asn Ser Gly His
Asn Ser His Gly
Ser Gly His Asn
Ser Gly Asn His
Ser His Gly Asn
Ser His Asn Gly
Ser Asn Gly His
Ser Asn His Gly
Gnoscopine
16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4
An icosanoid that is leukotriene E4 in which the isolated double bond has migrated into conjugation with the triene moiety and in which four methylene groups have been lost from the resulting carboxyalkyl chain.
R306465
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-chlorophenothiazin-10-yl)propan-1-one
(Rp)-1-(1S)-[(2-Diphenylphosphino)ferrocenyl]ethanamine
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl][4-(3-methy lphenyl)-1-piperazinyl]methanone
2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-(phenylazo)thiophene-3-carbonitrile
(2-dimethylaminoethyl)triphenylphosphonium bromide
5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
FMOC-(2S,5R)-5-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
[7-(4-nitrooxybutoxy)-4-oxo-2-phenylchromen-5-yl] acetate
Fmoc-(2R,5S)-5-phenylpyrrolidine-2-carboxylic acid
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)
4-hydroxy-alpha-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylsulphinyl)benzyl alcohol hydrochloride
N-(2-aminoethyl)ethane-1,2-diamine,2-(chloromethyl)oxirane,2-cyanoguanidine,sulfuric acid,hydrochloride
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea(R,R-TUC)
TRIS EDTA BUFFER, DNASE, RNASE, PROTEASE FREE READY TO USE, PH 8.0, FOR MOLECULAR BIOLOGY
6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-quinoline hydrochloride
3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo(3.2.1)octane bromide monohydrate
10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate
Fosdevirine
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
2-(2,6-dichlorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
5-{2-Fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
4-({4-[(4-Aminobut-2-ynyl)oxy]phenyl}sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
(3r)-3-Cyclopentyl-7-[(4-Methylpiperazin-1-Yl)sulfonyl]-3,4-Dihydro-2h-1,2-Benzothiazine 1,1-Dioxide
3-(5-(4-(1H-imidazol-1-yl)phenyl)-1-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-2-yl)propanoate
(2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylsulfonio]-2-azaniumylbutanoate
[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 4-amino-5-(2-hydroxypropanoylperoxy)-5-oxopentanoate
6-[[(2-Ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
5-[(1,3-Benzodioxol-5-ylmethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
3-Methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
N-(4-acetylphenyl)-2-[[1-(3,5-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
N-[4-(1-adamantyl)-2-thiazolyl]-N-[(4-fluorophenyl)methyl]oxamide
9,10-Dioxo-1-anthracenecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester
4-hydroxy-N-[[2-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)-3-indolylidene]amino]benzamide
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
2-[1-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
3-(2,5-dioxo-1-pyrrolidinyl)-N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide
6-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
4-[[(5-Methyl-3-isoxazolyl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
6-Cyano-1-(2-methylphenyl)-7-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester
N-(2-{6-[(2-Hydroxy-benzoyl)-hydrazonomethyl]-7-methoxy-benzo[1,3]dioxol-5-yl}-ethyl)-N-methyl-acetamide
(3S)-6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
N-(1,3-benzodioxol-5-ylmethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinazolinamine
4-[(2E)-2-[1-[4-(Furan-2-ylmethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
3-Acetyl-4a,6,7,12a-tetrahydroxy-9-methoxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
methyl 1-(4-chlorophenyl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
4-[4-[(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-1,3-thiazol-2-yl)azetidine-2-carbonitrile
4-[4-[(2R,3S,4S)-2-cyano-4-(hydroxymethyl)-1-methylsulfonylazetidin-3-yl]phenyl]-N,N-dimethylbenzamide
(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
4-[4-[(2R,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
4-[4-[(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
2-Amino-3-[(2-hexanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
2-Amino-3-[(3-butanoyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
3-[(3-Acetyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
(13E)-16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4
A 16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 in which the double bond at position 13-14 has E-configuration.
(-)-noscapine
A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects.
TAN-1612(1-)
An enolate resulting from the deprotonation of the hydroxy group of the enol moiety of TAN-1612.
(Rac)-NMDAR antagonist 1
(Rac)-NMDAR antagonist 1 is the racemate of NMDAR antagonist 1. NMDAR antagonist 1 is a potent and orally bioavailable NR2B-selective NMDAR antagonist[1].
CBiPES (hydrochloride)
CBiPES hydrochloride is a mGlu2 receptor positive allosteric modulator (EC50: 92.8 nM). CBiPES hydrochloride attenuates stress-induced hyperthermia and PCP-induced hyperlocomotor activity. CBiPES hydrochloride can be used for research of neurological disease[1][2].
HLI373 (dihydrochloride)
HLI373 dihydrochloride is an efficacious Hdm2 inhibitor. HLI373 dihydrochloride inhibits the ubiquitin ligase activity of Hdm2. HLI373 dihydrochloride is effective in inducing apoptosis of several tumor cells that are sensitive to DNA-damaging agents[1]. Antimalarial activity[2].
LUF6096
LUF6096, a potent allosteric enhancer of the adenosine A3 receptor, is able to allosterically enhance agonist binding. LUF6096 shows low orthosteric affinity for any of the adenosine receptors. LUF6096 shows protective effects in myocardial ischemia/reperfusion injury[1][2].
