Exact Mass: 353.0990304
Exact Mass Matches: 353.0990304
Found 345 metabolites which its exact mass value is equals to given mass value 353.0990304,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Protopine
C20H19NO5 (353.12631640000006)
Protopine is a dibenzazecine alkaloid isolated from Fumaria vaillantii. It has a role as a plant metabolite. Protopine is a natural product found in Corydalis heterocarpa var. japonica, Fumaria capreolata, and other organisms with data available. Protopine is a benzylisoquinoline alkaloid occurring in opium poppies and other plants of the family papaveraceae. It has been found to inhibit histamine H1 receptors and platelet aggregation, and acts as an opioid analgesic. See also: Sanguinaria canadensis root (part of); Chelidonium majus flowering top (part of). Protopine is a benzylisoquinoline alkaloid occurring in opium poppies and other plants of the family papaveraceae. It has been found to inhibit histamine H1 receptors and platelet aggregation, and acts as an opioid analgesic [HMDB] Protopine is a benzylisoquinoline alkaloid occurring in opium poppies and other plants of the family papaveraceae. It has been found to inhibit histamine H1 receptors and platelet aggregation, and acts as an opioid analgesic. Protopine is an alkaloid occurring in opium poppy,[2] Corydalis tubers[3] and other plants of the family papaveraceae, like Fumaria officinalis.[4] Protopine is metabolically derived from the benzylisoquinoline alkaloid (S)-Reticuline through a progressive series of five enzymatic transformations: 1) berberine bridge enzyme to (S)-Scoulerine; 2) (S)-cheilanthifoline synthase/CYP719A25 to (S)-Cheilanthifoline; 3) (S)-stylopine synthase/CYP719A20 to (S)-Stylopine; 4) (S)-tetrahydroprotoberberine N-methyltransferase to (S)-cis-N-Methylstylopine; and ultimately, 5) N-methylstylopine hydroxylase to protopine.[5] It has been found to inhibit histamine H1 receptors and platelet aggregation, and acts as an analgesic.[6][7] Protopine (Corydinine), an isoquinoline alkaloid, is a specific reversible and competitive inhibitor of acetylcholinesterase. Protopine exhibits anti-inflammation, anti-microbial, anti-angiogenic and anti-tumour activity[1][2]. Protopine (Corydinine), an isoquinoline alkaloid, is a specific reversible and competitive inhibitor of acetylcholinesterase. Protopine exhibits anti-inflammation, anti-microbial, anti-angiogenic and anti-tumour activity[1][2].
Pentoxazone
C17H17ClFNO4 (353.08300840000004)
Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
Chelidonine
C20H19NO5 (353.12631640000006)
Chelidonine is an alkaloid fundamental parent, a benzophenanthridine alkaloid and an alkaloid antibiotic. Chelidonine is a natural product found in Sarcocapnos baetica, Sarcocapnos saetabensis, and other organisms with data available. Chelidonine is an isolate of Papaveraceae with acetylcholinesterase and butyrylcholinesterase inhibitory activity. See also: Chelidonium majus flowering top (part of). CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2255 Chelidonine, an isoquinoline alkaloid, can be isolated from Chelidonium majus L.. Chelidonine causes G2/M arrest and induces caspase-dependent and caspase-independent apoptosis, and prevents cell cycle progression of stem cells in Dugesia japonica. Chelidonine has cytotoxic activity against melanoma cell lines. with anticancer and antiviral activity[1][2][3]. Chelidonine, an isoquinoline alkaloid, can be isolated from Chelidonium majus L.. Chelidonine causes G2/M arrest and induces caspase-dependent and caspase-independent apoptosis, and prevents cell cycle progression of stem cells in Dugesia japonica. Chelidonine has cytotoxic activity against melanoma cell lines. with anticancer and antiviral activity[1][2][3].
Parfumine
C20H19NO5 (353.12631640000006)
A benzylisoquinoline alkaloid isolated from Fumaria vaillantii and Fumaria parviflora.
2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one
2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone is a member of the class of compounds known as pentose phosphates. Pentose phosphates are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone can be found in a number of food items such as horned melon, buffalo currant, papaya, and red algae, which makes 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone a potential biomarker for the consumption of these food products. 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone exists in E.coli (prokaryote) and yeast (eukaryote).
Rugosinone
C19H15NO6 (353.08993300000003)
2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1H-benzimidazole
C16H14F3N3OS (353.08096300000005)
Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)
Sambucus nigra Degraded cyanogenic glycosides (2-Epimer) is found in fruits. Sambucus nigra Degraded cyanogenic glycosides (2-Epimer) is isolated from Sambucus nigra (elderberry Isolated from Sambucus nigra (elderberry). Sambucus nigra Degraded cyanogenic glycosides (2-Epimer) is found in fruits.
Papaveraldine
C20H19NO5 (353.12631640000006)
Papaveraldine is found in opium poppy. Papaveraldine is isolated from Papaver somniferum preparations (opium D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
4-[(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate
4-[(4-O-Acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate is a glucosinolate that has been isolated from the seeds and leaves of Moringa oleifera (horseradish tree) and the seeds of Moringa peregrina. It is also found in herbs and spices. Constituent of seeds of Moringa oleifera (horseradish tree) and Moringa peregrina. 4-Hydroxybenzyl isothiocyanate 4-acetylrhamnoside is found in herbs and spices.
6'-O-Acetylholocalin
6-O-Acetylholocalin is found in fruits. 6-O-Acetylholocalin is a constituent of Sambucus nigra (elderberry) Constituent of Sambucus nigra (elderberry). 6-O-Acetylholocalin is found in fruits.
Honyumine
C20H19NO5 (353.12631640000006)
Honyumine is found in citrus. Honyumine is an alkaloid from the root bark of Citrus grandis (pummelo). Alkaloid from the root bark of Citrus grandis (pummelo). Honyumine is found in citrus.
Citracridone I
C20H19NO5 (353.12631640000006)
Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citracridone I is found in sweet orange and citrus. Citracridone I is found in citrus. Citracridone I is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange
2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone
C20H19NO5 (353.12631640000006)
2,2-Dimethyl(pyrano-5,6:3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone is found in citrus. 2,2-Dimethyl(pyrano-5,6:3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone is an alkaloid from the roots of Citrus decumana (pummelo
Acenocoumarol
C19H15NO6 (353.08993300000003)
Acenocoumarol is a coumarin derivative used as an anticoagulant. Coumarin derivatives inhibit the reduction of vitamin K by vitamin K reductase. This prevents carboxylation of vitamin K-dependent clotting factors, II, VII, XI and X, and interferes with coagulation. Hematocrit, hemoglobin, international normalized ratio and liver panel should be monitored. Patients on acenocoumarol are prohibited from giving blood. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
lansoprazole sulfide
C16H14F3N3OS (353.08096300000005)
lansoprazole sulfide is a metabolite of lansoprazole. Lansoprazole is a proton-pump inhibitor (PPI) which inhibits the stomachs production of gastric acids. It is manufactured by a number of companies worldwide under several brand names. In the United States it was first approved by the Food and Drug Administration (FDA) in 1995. Lansoprazole has been available as a generic drug since Prevacid patent protection expired on November 10, 2009. Since 2009 Lansoprazole has been available over the counter (OTC) in the U.S. (Wikipedia)
2-[(1s,2s)-2-Carboxycyclopropyl]-3-(9h-Xanthen-9-Yl)-D-Alanine
C20H19NO5 (353.12631640000006)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
2-(O-Tolylcarbamoyl)naphthalen-3-yl 2-chloroacetate
7-(3-Isothiocyanatopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Amopyroquine
C20H20ClN3O (353.12948200000005)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-Methyl-2-(4-(5-(3-pyridinyl)-1,2,4-oxadiazol-3-yl)phenoxy)propanoic acid, ethyl ester
Chelidonine
C20H19NO5 (353.12631640000006)
1-((1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine
C19H20ClN5 (353.14071500000006)
Englitazone
C20H19NO3S (353.1085584000001)
Flosulide
C16H13F2NO4S (353.05333220000006)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
4-(4'-Chlorobenzyloxy)benzyl nicotinate
Pugnac
Sutezolid
C16H20FN3O3S (353.1209342000001)
Syk Inhibitor
C18H15N3O3S (353.0834080000001)
AB 3217-A
Diethyl 3-methyl-5-[(trifluoroacetyl)amino]-2,4-thiophenedicarboxylate
N-(2-Cyanoethyl)-N-(2-thienylmethyl)-N-[3-(trifluoromethyl)phenyl]urea
C16H14F3N3OS (353.08096300000005)
PharmaGSID_48505
CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4766; ORIGINAL_PRECURSOR_SCAN_NO 4764 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4776; ORIGINAL_PRECURSOR_SCAN_NO 4773 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4805; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4769; ORIGINAL_PRECURSOR_SCAN_NO 4767 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4827; ORIGINAL_PRECURSOR_SCAN_NO 4826 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9149; ORIGINAL_PRECURSOR_SCAN_NO 9147 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9178; ORIGINAL_PRECURSOR_SCAN_NO 9177 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9199; ORIGINAL_PRECURSOR_SCAN_NO 9197 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9243; ORIGINAL_PRECURSOR_SCAN_NO 9240 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9247 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9249
6-((Z)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-ylidenemethyl)-2,3-dimethoxy-benzaldehyde|Berberin|berberinal|berberine
C20H19NO5 (353.12631640000006)
(2S-<2alpha,3beta,3<1S*,7aS*>,4alpha>)-<1-(acetoxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl>methyl 3-hydroxy-2,4-dimethyl-5-oxotetrahydrofuran-3-carboxylate|longitubine
(E)-3-(methylsulfonyl)-propenoic acid 3-hydroxy-4-(3-methyl-2-butenyloxy)-phenethyl amide|sakambullin
(+/-)-hypecorine|(??)-Hypecorine|6-methyl-6,9,7,8-tetrahydro-6H-spiro[[1,3]dioxolo[4,5-h]isochromene-7,5-[1,3]dioxolo[4,5-g]isoquinoline]|Hypecorin|Hypecorine
C20H19NO5 (353.12631640000006)
[4-(3-O-acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate
7,8,10-Trimethoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
C19H15NO6 (353.08993300000003)
(+-)-Aobamin|(+-)-aobamine|(+/-)-aobamine|5-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-benzo[1,3]dioxole-4-carbaldehyde|Aobamin
C20H19NO5 (353.12631640000006)
4-(4-hydroxyphenoxy)phenyl 2-(5-hydroxypyridyl-2-oxy)propyl ether
C20H19NO5 (353.12631640000006)
2,3:9,10-Bis(methylenedioxy)-5,6-dihydro-8H-dibenzo[a,g]quinolizine-1,8-diol
C19H15NO6 (353.08993300000003)
[4-(2-O-acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate
1,8-dihydroxy-6-(methyl)-3-methoxy-2-(pyrrolidinium-2-yl) anthraquinone
C20H19NO5 (353.12631640000006)
(+/-)-linaresine|(??)-Linaresine|8,9-dimethoxy-6,7-methylenedioxy-12H<1>benzoxepino<2,3,4-ij>isoquinolin-12-ol|linaresinen
C19H15NO6 (353.08993300000003)
(6-O-beta-D-glucopyranosyl-1H-indol-3-yl) carboxylic acid methyl ester
(S)-13-methoxy-5-methyl-4a,5,6,7-tetrahydro-4H-[1,3]dioxolo[4,5:4,5]benzo[1,2,3-de][1,3]dioxolo[4,5:3,4]benzo[1,2-g]quinoline|(S)-Ocominarine|Ocominarin|ocominarine
C20H19NO5 (353.12631640000006)
adlumidine|bicucculine|D-bicucculine
C19H15NO6 (353.08993300000003)
Methanone, (4-methoxyphenyl)(5,6,7-trimethoxy-1-isoquinolinyl)-
C20H19NO5 (353.12631640000006)
dichotomide V
C18H15N3O5 (353.10116600000003)
A beta-carboline alkaloid isolated from Stellaria dichotoma var. lanceolata.
Chelidonin
C20H19NO5 (353.12631640000006)
Annotation level-1 http://casmi-contest.org/examples.shtml; CASMI2012 Example 1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.627 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.621 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2461; CONFIDENCE confident structure IPB_RECORD: 921; CONFIDENCE confident structure Chelidonine, an isoquinoline alkaloid, can be isolated from Chelidonium majus L.. Chelidonine causes G2/M arrest and induces caspase-dependent and caspase-independent apoptosis, and prevents cell cycle progression of stem cells in Dugesia japonica. Chelidonine has cytotoxic activity against melanoma cell lines. with anticancer and antiviral activity[1][2][3]. Chelidonine, an isoquinoline alkaloid, can be isolated from Chelidonium majus L.. Chelidonine causes G2/M arrest and induces caspase-dependent and caspase-independent apoptosis, and prevents cell cycle progression of stem cells in Dugesia japonica. Chelidonine has cytotoxic activity against melanoma cell lines. with anticancer and antiviral activity[1][2][3].
2-((S)-2-((S)-2-Amino-4-(methylthio)butanamido)-3-phenylPropanamido)acetic acid
C16H23N3O4S (353.14091980000006)
1-(2-oxindole-3-acetyl)-beta-D-glucose
An O-acyl carbohydrate obtained by formal condensation of the carboxy group of 2-oxindole-3-acetic acid with the anomeric hydroxy group of beta-D-glucose.
Protopine
C20H19NO5 (353.12631640000006)
Annotation level-1 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists relative retention time with respect to 9-anthracene Carboxylic Acid is 0.601 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.596 IPB_RECORD: 1441; CONFIDENCE confident structure Protopine (Corydinine), an isoquinoline alkaloid, is a specific reversible and competitive inhibitor of acetylcholinesterase. Protopine exhibits anti-inflammation, anti-microbial, anti-angiogenic and anti-tumour activity[1][2]. Protopine (Corydinine), an isoquinoline alkaloid, is a specific reversible and competitive inhibitor of acetylcholinesterase. Protopine exhibits anti-inflammation, anti-microbial, anti-angiogenic and anti-tumour activity[1][2].
C17H23NO7_4-[(2-{[(2-Ethyl-2,3-dihydroxybutanoyl)oxy]methyl}phenyl)amino]-4-oxobutanoic acid
C17H23NO7_5,8-Epoxy-5H-[1,5]dioxecino[3,2-b]pyrrole-3,6,7-triol, decahydro-11-(4-methoxyphenyl)-, (3S,3aS,5R,6R,7R,8R,11R,11aR)
C20H19NO5_Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1(2H)-isoquinolin]-8(6H)-one, 3,4-dihydro-7-hydroxy-6-methoxy-2-methyl
C20H19NO5 (353.12631640000006)
C20H19NO5_1,3-Benzodioxolo[5,6-c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl
C20H19NO5 (353.12631640000006)
C20H19NO5_[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)
C20H19NO5 (353.12631640000006)
3-methyl-8,10,20,22-tetraoxa-3-azapentacyclo[15.7.0.0⁵,¹³.0⁷,¹¹.0¹⁹,²³]tetracosa-1(17),5,7(11),12,18,23-hexaen-14-one
C20H19NO5 (353.12631640000006)
4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid
(S)-Acenocoumarol
C19H15NO6 (353.08993300000003)
The (R)-enantiomer of acenocoumarol. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Cyclopenta[c]pyrrole, benzoic acid deriv
C15H19N3O5S (353.10453640000003)
6,11-dihydroxy-7-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one
C20H19NO5 (353.12631640000006)
Xanthaline
C20H19NO5 (353.12631640000006)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Citra-I
C20H19NO5 (353.12631640000006)
4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside
Honyumine
C20H19NO5 (353.12631640000006)
Sambucus nigra degraded cyanogenic glycosides
2-[1-(4-methoxyphenyl)-4-nitro-3-thiophen-2-ylbutylidene]propanedinitrile
C18H15N3O3S (353.0834080000001)
1-(5-carboxypentyl)-2,3,3-trimethylindol-1-ium-5-sulfonate
3-[[2-[4-(2H-tetrazol-5-ylmethyl)phenoxy]acetyl]amino]benzoic acid
C17H15N5O4 (353.11239900000004)
(S)-4-FMOC-3-MORPHOLINECARBOXYLIC ACID
C20H19NO5 (353.12631640000006)
1-(6-Chloro-9H-purin-9-yl)-1-deoxy-N-methyl-2,3-O-isopropylidene-beta-D-ribofuranuronamide
4-[[4-(dimethylamino)phenyl]carbamoylamino]benzenesulfonyl chloride
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-CHLOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
C18H24ClNO4 (353.13937740000006)
N-BOC-4-(4-CHLORO) BENZYL-4-PIPERIDINE CARBOXYLIC ACID
C18H24ClNO4 (353.13937740000006)
(S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINEDIHYDROBROMIDE
(1Z)-4-chloro-3-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenecarboximidate
4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
4-(9H-fluoren-9-ylmethoxycarbonyl)morpholine-2-carboxylic acid
C20H19NO5 (353.12631640000006)
4-((2-AMINOPHENYL)THIO)-N,N-DIMETHYL-3-NITROBENZENESULFONAMIDE
Intepirdine
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Intepirdine (SB742457) is a highly selective 5-HT6 receptor antagonist with pKi of 9.63; exhibits >100-fold selectivity over other receptors.
β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, 1-(N-methylsulfamate)
C13H23NO8S (353.11443180000003)
(2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone
C20H19NO5 (353.12631640000006)
2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
Reglan
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
4-(Phenylamino)-3-sulfoazobenzene
C18H15N3O3S (353.0834080000001)
(R)-4-FMOC-3-MORPHOLINECARBOXYLIC ACID
C20H19NO5 (353.12631640000006)
20-isocyanato-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Ethyl 5-hydroxy-8-isopropyl-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
ETHYL 5-HYDROXY-7-OXO-2-PHENYL-8-PROPYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
Nile Blue chloride
C20H20ClN3O (353.12948200000005)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-Methyl-2-propanyl 5-bromo-3-[(dimethylamino)methyl]-1H-pyrrolo[ 2,3-b]pyridine-1-carboxylate
C15H20BrN3O2 (353.07388000000003)
4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyriminl-5-yl-methanol
C16H20FN3O3S (353.1209342000001)
4-[(3,3-Dimethylbutanoyl)amino]-3,5-difluoro-N-(1,3-thiazol-2-yl) benzamide
C16H17F2N3O2S (353.10094860000004)
3-(Morpholinosulfonyl)phenylboronic acid pinacol ester
C16H24BNO5S (353.14681640000003)
ethyl 2-piperazine-4-(2,5-difluoro)phenyl thiazole-5-carboxylate
C16H17F2N3O2S (353.10094860000004)
1,3-dimethyl-6-[2-(p-toluenesulfonyloxy)ethylamino)-2,4(1H,3H)-pyrimidinedione
C15H19N3O5S (353.10453640000003)
bis(triphenylphosphine)iminium nitrite
[(C6H5)3P=]2N(ONO) (353.06087299999996)
Acetic acid, 2-[[4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
4-[6-(2-Chloroethyl)-3-methyl-3,6,7,8-tetrahydroimidazo[4,5-h][1,4]benzothiazin-2-yl]butanoic acid
(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)boronic acid
Methyl 3-azido-2,3-dideoxy-alpha-D-erythro-pentofuranoside 5-[1,1-biphenyl]-4-carboxylate
N7-(3-CHLOROPHENYL)-N2-PHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
C17H12ClN5S (353.05019020000003)
4-CHLORO-2-TRIFLUOROACETYL-6-(TERT-BUTYLDIMETHYLSILYLOXY)ANILINE
LY341495
C20H19NO5 (353.12631640000006)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists LY341495 is a metabotropic glutamate receptor (mGluR) antagonist with IC50s of 21 nM, 14 nM, 7.8 μM, 8.2 μM, 170 nM, 990 nM, 22 μM for mGlu2, mGlu3, mGlu1a, mGlu5a, mGlu8, mGlu7, and mGlu4 receptors, respectively[5].
3-(4-ACETOXY-PHENYL)-2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONIC ACID
C19H15NO6 (353.08993300000003)
Gefapixant
C14H19N5O4S (353.11576940000003)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C177180 - P2X Purinoreceptor Antagonist Gefapixant is an orally active and potent purinergic P2X3 receptor (P2X3R) antagonist, with IC50 values of ~30 nM versus recombinant hP2X3 homotrimers and 100-250 nM at hP2X2/3 heterotrimeric receptors. Gefapixant can be used for the research of chronic cough and knee osteoarthritis[1][2][3].
Sutezolid
C16H20FN3O3S (353.1209342000001)
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
3,6-Diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
Arbutamine hydrochloride
C18H24ClNO4 (353.13937740000006)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
(S)-2-amino-4-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-methylbutan-1-ol
P053 is a potent, non-competitive and selective ceramide synthase 1 (CerS1) inhibitor wirh an IC50 of 0.5?μM. P053 acts as an endogenous inhibitor of mitochondrial fatty acid oxidation in muscle. Whole-body adiposity regulator[1].
1-((1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine
C19H20ClN5 (353.14071500000006)
1-methylsulfanyl-2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]benzimidazole;2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
C16H14F3N3OS (353.08096300000005)
2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-hydroxyanilino)-5-pyrimidinecarboxylic acid ethyl ester
C18H19N5O3 (353.14878239999996)
5-(4-Methylphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
7,9-dimethyl-2-(phenylmethylthio)-1H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
Glycyl-L-phenylalanyl-L-methionine
C16H23N3O4S (353.14091980000006)
2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
N-(4-methoxyphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1(2H)-isoquinolin]-8(6H)-one, 3,4-dihydro-7-hydroxy-6-methoxy-2-methyl-
C20H19NO5 (353.12631640000006)
4-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}amino)benzoic acid
2,4-Thiazolidinedione, 5-((3,4-dihydro-2-(phenylmethyl)-2H-1-benzopyran-6-yl)methyl)-
C20H19NO3S (353.1085584000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent D007004 - Hypoglycemic Agents
5-(4-Morpholin-4-YL-phenylsulfanyl)-2,4-quinazolinediamine
3-Methyl-8,10,20,22-tetraoxa-3-azapentacyclo[15.7.0.05,13.07,11.019,23]tetracosa-1(24),5,7(11),12,17,19(23)-hexaen-14-one
C20H19NO5 (353.12631640000006)
3-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenolate
5-(Hydroxymethyl)cytidine 5-(Dihydrogen Phosphate)
2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate(2-)
3-(2,4-Dihydroxyphenyl)-7-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-5-olate
2-(4-Hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate
3-(2,4-Dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxochromen-7-olate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(methyldisulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
anthraquinone-2-carboxyate-N-acetylcysteamine
C19H15NO4S (353.0721750000001)
N-Acetyl-S-(2,6,7-trimethyl-3,5-dioxo-3H,5H-pyrazolo[1,2-a]pyrazol-1-ylmethyl)-L-cysteine
C15H19N3O5S (353.10453640000003)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid
trans-5-O-caffeoyl-D-quinate
A hydroxy monocarboxylic acid anion that is the conjugate base of trans-5-O-caffeoyl-D-quinic acid; major species at pH 7.3.
5-Chloro-7-[1-piperidinyl(2-pyridinyl)methyl]-8-quinolinol
C20H20ClN3O (353.12948200000005)
1-(2,4-Difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester
N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide
C18H19N5O3 (353.14878239999996)
Methyl 2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1-[[2-(4-Chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
Glu-Cys-Cys
A tripeptide composed of one L-glutamic acid and two L-cysteine units joined by peptide linkages.
N-[(4-chlorophenyl)methyl]-4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinamine
N-isopropyl-2-{[3-(3-nitrophenyl)acryloyl]amino}benzamide
3-amino-N-(2-fluorophenyl)-6-(2-furanyl)-2-thieno[2,3-b]pyridinecarboxamide
C18H12FN3O2S (353.06342240000004)
2-[(4,6-Dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester
2-[[2-[(2-Fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenol
1-(3-Chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
1-[1-(3-Chloro-4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide
1-(1-Azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone
N-Pyridin-2-yl-3-(o-tolylaminooxalyl-hydrazono)-butyramide
C18H19N5O3 (353.14878239999996)
7-(4-Chlorophenyl)-5-(4-ethylphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
C19H20ClN5 (353.14071500000006)
N-[(2-chlorophenyl)-(2-hydroxy-1-naphthalenyl)methyl]butanamide
C21H20ClNO2 (353.11824900000005)
4-Methoxybenzoic acid [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester
C18H15N3O5 (353.10116600000003)
N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide
ethyl (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
C20H19NO3S (353.1085584000001)
[5,6-Dimethyl-3-(pyridin-4-ylmethyl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(2-furanyl)methanone
(E)-2-cyano-3-[2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
C18H19N5O3 (353.14878239999996)
N-(2,6-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide
3-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-6-(3-methylbut-2-en-1-yl)phenolate
(4-Methoxyphenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone
1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
2-(4-chlorophenyl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
(2S)-2-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]-2-phenylacetamide
Erdasporine B
An organic heterohexacyclic compound that is 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogen at position 5 is substituted by a methoxycarbonyl group. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus.
(E)-4-naphthalen-1-yl-2-oxo-3-quinolin-2-ylbut-3-enoic acid
3,4,5-trihydroxy-6-(4-hydroxy-1H-indole-3-carbonyl)oxyoxane-2-carboxylic acid
4H,5H-3-Methoxycarbonyl-4-(1-methoxycarbonylpyrrol-2-YL)methylene-1-phenylpyrazol-5-one
C18H15N3O5 (353.10116600000003)
3-[[2-(Benzoylamino)phenyl]thio]-5,5-dimethyl-1-cyclohexanone
2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine
xanthohumol(1-)
A phenolate anion that is the conjugate base of xanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Papaveraldine
C20H19NO5 (353.12631640000006)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
2,2-Dimethyl(pyrano-5,6:3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone
C20H19NO5 (353.12631640000006)
B 823-08
C16H14F3N3OS (353.08096300000005)
Sambucus nigra Degraded cyanogenic glycosides (2-Epimer)
xanthogalenol(1-)
A phenolate anion that is the conjugate base of xanthogalenol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Chlorogenate
A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.
2,5-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate
5-O-Phosphono-beta-D-ribofuranose in which the hydroxy group at position 1 is substituted by the 6-amino group of 2,5,6-triaminopyrimidin-4(3H)-one.
2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate(2-)
The dianion resulting from the removal of two protons from the phosphate group of 2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate.
ML337
ML337 is a selective and brain-penetrant negative allosteric modulator of mGlu3, with an IC50 of 593 nM. ML337 possesses a favorable dystrophia myotonica protein kinase (DMPK) and ancillary pharmacology profile[1]. ML337 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
UBP310
C14H15N3O6S (353.06815300000005)
UBP310 is a selective GluR5 antagonist, with a Kd of 130 nM[1].
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-8-one
C20H19NO5 (353.12631640000006)
(14s)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),2,4(8),9,15,17,19-heptaen-14-ol
C20H19NO5 (353.12631640000006)
12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tetracosa-2,4(8),9,14,16(20),21-hexaen-24-ol
C20H19NO5 (353.12631640000006)
(5r,8'r)-6-methyl-6',7,8,8'-tetrahydro-2h,2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-ol
C20H19NO5 (353.12631640000006)
5,6,7-trimethoxy-1-(4-methoxybenzoyl)isoquinoline
C20H19NO5 (353.12631640000006)
(2s,3r,4r,5r,6s)-4,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl acetate
(10s)-10-[(5r)-2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8-trien-12-one
C19H15NO6 (353.08993300000003)
(12s)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaene-13-carbaldehyde
C20H19NO5 (353.12631640000006)