Exact Mass: 353.12631640000006

Exact Mass Matches: 353.12631640000006

Found 500 metabolites which its exact mass value is equals to given mass value 353.12631640000006, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Protopine

15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.0^{4,12}.0^{6,10}.0^{18,22}]tetracosa-1(24),4(12),5,10,17,22-hexaen-3-one

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

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

(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

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

Parfumine

C20H19NO5 (353.12631640000006)


A benzylisoquinoline alkaloid isolated from Fumaria vaillantii and Fumaria parviflora.

   

Boc-Asn-ONp

Boc-L-asparagine 4-nitrophenyl ester

C15H19N3O7 (353.1222944)


   

Rugosinone

1,3-Dioxolo[4,5-g]isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone

C19H15NO6 (353.08993300000003)


   

2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1H-benzimidazole

2-{[(4-methoxy-3-methylpyridin-2-yl)methyl]sulphanyl}-6-(trifluoromethyl)-1H-1,3-benzodiazole

C16H14F3N3OS (353.08096300000005)


   

Dihydrozeatin riboside

2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]oxolane-3,4-diol

C15H23N5O5 (353.1699108)


   

Naphthol AS-D chloroacetate

2-(O-Tolylcarbamoyl)naphthalen-3-yl 2-chloroacetate

C20H16ClNO3 (353.0818656)


   

Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)

Methyl 3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)oxy]propanoic acid

C16H19NO8 (353.1110614)


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

Methanone,(6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-

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

(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyloxan-3-yl acetate

C16H19NO6S (353.0933034)


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-[cyano(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetic acid

C16H19NO8 (353.1110614)


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

5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6,11-dihydro-2H-1-oxa-11-azatetracen-6-one

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

7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

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

3,12-Dihydro-6,11-dihydroxy-10-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one, 9ci

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

4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one

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

   

Olopatadine n-oxide

3-[(2Z)-5-(carboxymethyl)-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene]-N,N-dimethylpropanamine oxide

C21H23NO4 (353.16269980000004)


Olopatadine n-oxide is a metabolite of olopatadine. Olopatadine hydrochloride is an antihistamine (as well as anticholinergic) and mast cell stabilizer, sold as a prescription eye drop (0.2\\% solution, Pataday, manufactured by Alcon). It is used to treat itching associated with allergic conjunctivitis. Olopatadine hydrochloride 0.1\\% is sold as Patanol (or Opatanol in some countries). A nasal spray formulation is sold as Patanase, which was approved by the FDA on April 15, 2008. (Wikipedia)

   

lansoprazole sulfide

2-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]-1-(methylsulfanyl)-1H-1,3-benzodiazole

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)

   

4-(4-(4-Fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)-2-methoxypyrimidine

4-(4-(4-Fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)-2-methoxypyrimidine

C19H20FN5O (353.1651802)


   

2-[(1s,2s)-2-Carboxycyclopropyl]-3-(9h-Xanthen-9-Yl)-D-Alanine

(2S)-2-[(1S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropane-1-carboxylate

C20H19NO5 (353.12631640000006)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists

   

2-(O-Tolylcarbamoyl)naphthalen-3-yl 2-chloroacetate

3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl 2-chloroacetate

C20H16ClNO3 (353.0818656)


   

Amopyroquine

4-[(7-chloroquinolin-4-yl)amino]-2-[(pyrrolidin-1-yl)methyl]phenol

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

2-Methyl-2-(4-(5-(3-pyridinyl)-1,2,4-oxadiazol-3-yl)phenoxy)propanoic acid, ethyl ester

C19H19N3O4 (353.1375494)


   

Cavidine

16,17-Dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene

C21H23NO4 (353.16269980000004)


   

Chelidonine

24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14,16,21-hexaen-12-ol

C20H19NO5 (353.12631640000006)


   

1-((1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine

1-((1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine

C19H20ClN5 (353.14071500000006)


   

Englitazone

5-((3,4-Dihydro-2-phenylmethyl-2H-1-benzopyran-6-yl)methyl)thiazolidine-2,4-dione

C20H19NO3S (353.1085584000001)


   

4-(4'-Chlorobenzyloxy)benzyl nicotinate

{4-[(4-chlorophenyl)methoxy]phenyl}methyl pyridine-3-carboxylate

C20H16ClNO3 (353.0818656)


   

Pugnac

N-[4,5-Dihydroxy-6-(hydroxymethyl)-2-{[(phenyl-C-hydroxycarbonimidoyl)oxy]imino}oxan-3-yl]ethanimidate

C15H19N3O7 (353.1222944)


   

Sutezolid

N-({3-[3-fluoro-4-(thiomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)ethanimidate

C16H20FN3O3S (353.1209342000001)


   

Syk Inhibitor

3-[(1-Methyl-1H-indol-3-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulphonamide

C18H15N3O3S (353.0834080000001)


   

Dihydropalmatine

2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline

C21H23NO4 (353.16269980000004)


Dihydropalmatine is a natural product found in Thalictrum foliolosum with data available. Dihydropalmatine is a alkaloid isolated from Berberis aristata[1].

   

Dehydroglaucine

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene

C21H23NO4 (353.16269980000004)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.323 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.326 Dehydroglaucine is a natural product found in Sarcocapnos saetabensis, Thalictrum ichangense, and other organisms with data available.

   
   

AB 3217-A

(1R,3S,4S,7R,8R,11R,12R,13R)-8-(4-Methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecane-4,12,13-triol

C17H23NO7 (353.1474448)


   
   
   
   
   
   
   
   
   
   
   

Rubropunctamine

9a-Methyl-3-(1-oxohexyl)-6-(1-propenyl)furo[3,2-g]isoquinoline-2,9(7H,9aH)-dione

C21H23NO4 (353.16269980000004)


   

4-Hydroxy-5,8-dimethoxy-2-(3-methoxyphenyl)-3-propylquinoline

4-Hydroxy-5,8-dimethoxy-2-(3-methoxyphenyl)-3-propylquinoline

C21H23NO4 (353.16269980000004)


   
   
   

N-(2-Cyanoethyl)-N-(2-thienylmethyl)-N-[3-(trifluoromethyl)phenyl]urea

N-(2-Cyanoethyl)-N-(2-thienylmethyl)-N-[3-(trifluoromethyl)phenyl]urea

C16H14F3N3OS (353.08096300000005)


   
   
   
   
   
   
   
   

8-Methoxy-uvariopsin|8-Methoxyuvariopsine|[2-(8,9-Dimethoxy-phenanthro[3,4-d][1,3]dioxol-5-yl)-aethyl]-dimethyl-amin|[2-(8,9-dimethoxy-phenanthro[3,4-d][1,3]dioxol-5-yl)-ethyl]-dimethyl-amine

8-Methoxy-uvariopsin|8-Methoxyuvariopsine|[2-(8,9-Dimethoxy-phenanthro[3,4-d][1,3]dioxol-5-yl)-aethyl]-dimethyl-amin|[2-(8,9-dimethoxy-phenanthro[3,4-d][1,3]dioxol-5-yl)-ethyl]-dimethyl-amine

C21H23NO4 (353.16269980000004)


   
   

6-((Z)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-ylidenemethyl)-2,3-dimethoxy-benzaldehyde|Berberin|berberinal|berberine

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

(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

C17H23NO7 (353.1474448)


   

(E)-3-(methylsulfonyl)-propenoic acid 3-hydroxy-4-(3-methyl-2-butenyloxy)-phenethyl amide|sakambullin

(E)-3-(methylsulfonyl)-propenoic acid 3-hydroxy-4-(3-methyl-2-butenyloxy)-phenethyl amide|sakambullin

C17H23NO5S (353.1296868)


   

1-O-beta-D-glucopyranosyladenophorine

1-O-beta-D-glucopyranosyladenophorine

C14H27NO9 (353.16857319999997)


   

(+/-)-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

(+/-)-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

[4-(3-O-acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate

C16H19NO6S (353.0933034)


   
   
   
   

2,3-Dihydrocapitavine|dihydroxy-5,7 (methyl-1 piperidinyl-2)-6 flavanone

2,3-Dihydrocapitavine|dihydroxy-5,7 (methyl-1 piperidinyl-2)-6 flavanone

C21H23NO4 (353.16269980000004)


   

7,8,10-Trimethoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one

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

(+-)-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

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

2,3:9,10-Bis(methylenedioxy)-5,6-dihydro-8H-dibenzo[a,g]quinolizine-1,8-diol

C19H15NO6 (353.08993300000003)


   

5,8-dimethoxy-2-(3-methoxyphenyl)-3-propyl-1h-quinolin-4-one

5,8-dimethoxy-2-(3-methoxyphenyl)-3-propyl-1h-quinolin-4-one

C21H23NO4 (353.16269980000004)


   
   

[4-(2-O-acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate

[4-(2-O-acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate

C16H19NO6S (353.0933034)


   
   
   

1,8-dihydroxy-6-(methyl)-3-methoxy-2-(pyrrolidinium-2-yl) anthraquinone

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

(+/-)-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

(6-O-beta-D-glucopyranosyl-1H-indol-3-yl) carboxylic acid methyl ester

C16H19NO8 (353.1110614)


   

(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

(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

adlumidine|bicucculine|D-bicucculine

C19H15NO6 (353.08993300000003)


   

Methanone, (4-methoxyphenyl)(5,6,7-trimethoxy-1-isoquinolinyl)-

Methanone, (4-methoxyphenyl)(5,6,7-trimethoxy-1-isoquinolinyl)-

C20H19NO5 (353.12631640000006)


   
   

dichotomide V

dichotomide V

C18H15N3O5 (353.10116600000003)


A beta-carboline alkaloid isolated from Stellaria dichotoma var. lanceolata.

   

Chelidonin

Chelidonine

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

2-((S)-2-((S)-2-Amino-4-(methylthio)butanamido)-3-phenylPropanamido)acetic acid

C16H23N3O4S (353.14091980000006)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

1-(2-oxindole-3-acetyl)-beta-D-glucose

1-(2-oxindole-3-acetyl)-beta-D-glucose

C16H19NO8 (353.1110614)


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

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].

   

4-(Cytisin-12-amido)-benzoic acid

NCGC00160320-01!4-(Cytisin-12-amido)-benzoic acid

C19H19N3O4 (353.1375494)


   
   

C17H23NO7_4-[(2-{[(2-Ethyl-2,3-dihydroxybutanoyl)oxy]methyl}phenyl)amino]-4-oxobutanoic acid

NCGC00381076-01_C17H23NO7_4-[(2-{[(2-Ethyl-2,3-dihydroxybutanoyl)oxy]methyl}phenyl)amino]-4-oxobutanoic acid

C17H23NO7 (353.1474448)


   

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)

NCGC00380307-01_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)-

C17H23NO7 (353.1474448)


   

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

NCGC00180342-02_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

NCGC00385257-01_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)

NCGC00167959-05_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

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

4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid

C17H23NO7 (353.1474448)


   
   

(S)-Acenocoumarol

4-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one

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

Cyclopenta[c]pyrrole, benzoic acid deriv

C15H19N3O5S (353.10453640000003)


   

Fmoc-Leu-OH

N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE

C21H23NO4 (353.16269980000004)


Fmoc-leucine is a selective PPARγ modulator. Fmoc-leucine activates PPARγ with a lower potency but a similar maximal efficacy than rosiglitazone. Fmoc-leucine improves insulin sensitivity in normal, diet-induced glucose-intolerant, and in diabetic db/db mice. Fmoc-leucine has a lower adipogenic activity[1].

   
   

Lys-Val-OH

(S)-2-(3-(4-aminobutoxy)-4-nitrobenzamido)-4-methylpentanoic acid

C16H23N3O6 (353.1586778)


   

Asn-Leu-OH

(S)-2-(3-(2-amino-2-oxoethoxy)-4-nitrobenzamido)-5-methylhexanoic acid

C15H19N3O7 (353.1222944)


   

Asn-Ile-OH

(2S,4S)-2-(3-(2-amino-2-oxoethoxy)-4-nitrobenzamido)-4-methylhexanoic acid

C15H19N3O7 (353.1222944)


   

Val-Lys-OH

(S)-7-amino-2-(3-isopropoxy-4-nitrobenzamido)heptanoic acid

C16H23N3O6 (353.1586778)


   

Leu-Asn-OH

(S)-5-amino-2-(3-isobutoxy-4-nitrobenzamido)-5-oxopentanoic acid

C15H19N3O7 (353.1222944)


   

Ile-Asn-OH

(S)-5-amino-2-(3-((S)-sec-butoxy)-4-nitrobenzamido)-5-oxopentanoic acid

C15H19N3O7 (353.1222944)


   

6,11-dihydroxy-7-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone

C20H19NO5 (353.12631640000006)


   

Xanthaline

Methanone,(6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-

C20H19NO5 (353.12631640000006)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

   

Citra-I

7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

C20H19NO5 (353.12631640000006)


   

4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside

4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyloxan-3-yl acetate

C16H19NO6S (353.0933034)


   

Honyumine

5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6,11-dihydro-2H-1-oxa-11-azatetracen-6-one

C20H19NO5 (353.12631640000006)


   

Sambucus nigra degraded cyanogenic glycosides

methyl 3-[cyano(phenyl)methoxy]-2-hydroxy-3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)oxy]propanoate

C16H19NO8 (353.1110614)


   

6''-O-Acetylholocalin

{6-[cyano(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

C16H19NO8 (353.1110614)


   
   

2-[1-(4-methoxyphenyl)-4-nitro-3-thiophen-2-ylbutylidene]propanedinitrile

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

1-(5-carboxypentyl)-2,3,3-trimethylindol-1-ium-5-sulfonate

C17H23NO5S (353.1296868)


   

3-[[2-[4-(2H-tetrazol-5-ylmethyl)phenoxy]acetyl]amino]benzoic acid

3-[[2-[4-(2H-tetrazol-5-ylmethyl)phenoxy]acetyl]amino]benzoic acid

C17H15N5O4 (353.11239900000004)


   

3-[3-(4-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid

3-[3-(4-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid

C21H23NO4 (353.16269980000004)


   
   

(S)-4-FMOC-3-MORPHOLINECARBOXYLIC ACID

(S)-4-FMOC-3-MORPHOLINECARBOXYLIC ACID

C20H19NO5 (353.12631640000006)


   

2-(4-HYDROXYMETHYLPHENYL)PYRIDINE

2-(4-HYDROXYMETHYLPHENYL)PYRIDINE

C15H19N3O7 (353.1222944)


   

tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

C21H23NO4 (353.16269980000004)


   
   
   
   

1-(6-Chloro-9H-purin-9-yl)-1-deoxy-N-methyl-2,3-O-isopropylidene-beta-D-ribofuranuronamide

1-(6-Chloro-9H-purin-9-yl)-1-deoxy-N-methyl-2,3-O-isopropylidene-beta-D-ribofuranuronamide

C14H16ClN5O4 (353.0890766)


   

1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-CHLOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID

1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-CHLOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID

C18H24ClNO4 (353.13937740000006)


   

N-BOC-4-(4-CHLORO) BENZYL-4-PIPERIDINE CARBOXYLIC ACID

N-BOC-4-(4-CHLORO) BENZYL-4-PIPERIDINE CARBOXYLIC ACID

C18H24ClNO4 (353.13937740000006)


   
   

N-benzy-2-(4-(benzyloxy)phenyl)ethanamine

N-benzy-2-(4-(benzyloxy)phenyl)ethanamine

C22H24ClNO (353.1546324)


   

DIMETHYL 2-(1-BENZHYDRYLAZETIDIN-3-YL)MALONATE

DIMETHYL 2-(1-BENZHYDRYLAZETIDIN-3-YL)MALONATE

C21H23NO4 (353.16269980000004)


   

((1S,4S)-4-amino-1-isopropylcyclopent-2-enyl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)Methanone

((1S,4S)-4-amino-1-isopropylcyclopent-2-enyl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)Methanone

C18H22F3N3O (353.1714878)


   
   
   
   

4-(9H-fluoren-9-ylmethoxycarbonyl)morpholine-2-carboxylic acid

4-(9H-fluoren-9-ylmethoxycarbonyl)morpholine-2-carboxylic acid

C20H19NO5 (353.12631640000006)


   

[4-(4-fluoro-phenyl)-piperazin-1-yl]-(1h-indol-2-yl)-acetic acid

[4-(4-fluoro-phenyl)-piperazin-1-yl]-(1h-indol-2-yl)-acetic acid

C20H20FN3O2 (353.1539472)


   

N-BOC-ALPHA-(PHENYLSULFONYL)CYCLOHEXYLMETHYLAMINE

N-BOC-ALPHA-(PHENYLSULFONYL)CYCLOHEXYLMETHYLAMINE

C18H27NO4S (353.16607020000004)


   

Intepirdine

Intepirdine

C19H19N3O2S (353.1197914)


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.

   

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]norleucine

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]norleucine

C21H23NO4 (353.16269980000004)


   
   
   

β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, 1-(N-methylsulfamate)

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

(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

2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

C19H19N3O2S (353.1197914)


   

Reglan

metoclopramide hydrochloride

C14H25Cl2N3O3 (353.127288)


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

   

3-aminopropyltris(trimethylsiloxy)silane

3-aminopropyltris(trimethylsiloxy)silane

C12H35NO3Si4 (353.169392)


   

Benzyltriphenylphosphonium iodide

Benzyltriphenylphosphonium iodide

C25H22P+ (353.1459042)


   

4-CYCLOHEXYL-1-(4-METHYLPHENYLSULFONYL)INDOLE

4-CYCLOHEXYL-1-(4-METHYLPHENYLSULFONYL)INDOLE

C21H23NO2S (353.1449418)


   

4-(Phenylamino)-3-sulfoazobenzene

3-[(4-anilinophenyl)azo]benzenesulphonic acid

C18H15N3O3S (353.0834080000001)


   
   
   

(R)-4-FMOC-3-MORPHOLINECARBOXYLIC ACID

(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

20-isocyanato-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene

C17H23NO7 (353.1474448)


   
   

4-([2,2:6,2-Terpyridin]-4-yl)benzoic acid

4-([2,2:6,2-Terpyridin]-4-yl)benzoic acid

C22H15N3O2 (353.116421)


   

Ethyl 5-hydroxy-8-isopropyl-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Ethyl 5-hydroxy-8-isopropyl-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C19H19N3O4 (353.1375494)


   

ETHYL 5-HYDROXY-7-OXO-2-PHENYL-8-PROPYL-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

C19H19N3O4 (353.1375494)


   
   

Nile Blue chloride

Nile Blue chloride

C20H20ClN3O (353.12948200000005)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

2-(trifluoromethyl)--1H-Pyrrolo[2,3-b]pyridin-5-amine

2-(trifluoromethyl)--1H-Pyrrolo[2,3-b]pyridin-5-amine

C21H23NO4 (353.16269980000004)


   
   

4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol

4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol

C18H18F3NO3 (353.1238714)


   
   
   
   

N-Isobutyrylguanosine

N-Isobutyrylguanosine

C14H19N5O6 (353.1335274)


   

4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyriminl-5-yl-methanol

4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyriminl-5-yl-methanol

C16H20FN3O3S (353.1209342000001)


   
   

1-benzyl-5-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridin-4-one

1-benzyl-5-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridin-4-one

C21H23NO4 (353.16269980000004)


   
   

4-[(3,3-Dimethylbutanoyl)amino]-3,5-difluoro-N-(1,3-thiazol-2-yl) benzamide

4-[(3,3-Dimethylbutanoyl)amino]-3,5-difluoro-N-(1,3-thiazol-2-yl) benzamide

C16H17F2N3O2S (353.10094860000004)


   

3-(Morpholinosulfonyl)phenylboronic acid pinacol ester

3-(Morpholinosulfonyl)phenylboronic acid pinacol ester

C16H24BNO5S (353.14681640000003)


   

ethyl 2-piperazine-4-(2,5-difluoro)phenyl thiazole-5-carboxylate

ethyl 2-piperazine-4-(2,5-difluoro)phenyl thiazole-5-carboxylate

C16H17F2N3O2S (353.10094860000004)


   

6-(Triethoxysilyl)-1-hexanesulfonyl azide

6-(Triethoxysilyl)-1-hexanesulfonyl azide

C12H27N3O5SSi (353.1440612)


   
   
   

1,3-dimethyl-6-[2-(p-toluenesulfonyloxy)ethylamino)-2,4(1H,3H)-pyrimidinedione

1,3-dimethyl-6-[2-(p-toluenesulfonyloxy)ethylamino)-2,4(1H,3H)-pyrimidinedione

C15H19N3O5S (353.10453640000003)


   
   

Acetic acid, 2-[[4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester

Acetic acid, 2-[[4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester

C19H19N3O2S (353.1197914)


   
   

4-[6-(2-Chloroethyl)-3-methyl-3,6,7,8-tetrahydroimidazo[4,5-h][1,4]benzothiazin-2-yl]butanoic acid

4-[6-(2-Chloroethyl)-3-methyl-3,6,7,8-tetrahydroimidazo[4,5-h][1,4]benzothiazin-2-yl]butanoic acid

C16H20ClN3O2S (353.096469)


   

Benzoicacid, 2-[4-(cyclohexylmethylamino)-2-hydroxybenzoyl]-

Benzoicacid, 2-[4-(cyclohexylmethylamino)-2-hydroxybenzoyl]-

C21H23NO4 (353.16269980000004)


   
   

(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)boronic acid

(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)boronic acid

C21H16BN3O2 (353.1335506)


   

Methyl 3-azido-2,3-dideoxy-alpha-D-erythro-pentofuranoside 5-[1,1-biphenyl]-4-carboxylate

Methyl 3-azido-2,3-dideoxy-alpha-D-erythro-pentofuranoside 5-[1,1-biphenyl]-4-carboxylate

C19H19N3O4 (353.1375494)


   
   
   

TERT-BUTYL 4-(BENZYLOXY)-3-(HYDROXYMETHYL)-1H-INDOLE-1-CARBOXYLATE

TERT-BUTYL 4-(BENZYLOXY)-3-(HYDROXYMETHYL)-1H-INDOLE-1-CARBOXYLATE

C21H23NO4 (353.16269980000004)


   

4-CHLORO-2-TRIFLUOROACETYL-6-(TERT-BUTYLDIMETHYLSILYLOXY)ANILINE

4-CHLORO-2-TRIFLUOROACETYL-6-(TERT-BUTYLDIMETHYLSILYLOXY)ANILINE

C14H19ClF3NO2Si (353.082562)


   

LY341495

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 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].

   

Tert-butyl-(2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

Tert-butyl-(2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

C21H23NO4 (353.16269980000004)


   

n-(9-fluorenylmethoxycarbonyl)-l-leucin&

n-(9-fluorenylmethoxycarbonyl)-l-leucin&

C21H23NO4 (353.16269980000004)


   

N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-L-Leucine-1-13C

N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-L-Leucine-1-13C

C21H23NO4 (353.16269980000004)


   

3-(4-ACETOXY-PHENYL)-2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONIC ACID

3-(4-ACETOXY-PHENYL)-2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONIC ACID

C19H15NO6 (353.08993300000003)


   

NS-11394

NS-11394

C23H19N3O (353.15280440000004)


NS11394 is an orally active and unique subtype-selective GABAA positive allosteric receptor (PAM), with a Ki of ~0.5 nM. NS11394 shows a selectivity profile in the order of GABAA-5 > α3 > α2 > α1-containing receptors. NS11394 has anxiolytic and anti-inflammatory properties[1][2][3].

   
   
   
   

Gefapixant

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

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

3,6-Diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C17H15N5O2S (353.094641)


   

6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine

6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine

C19H16FN3OS (353.0998058)


   

Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone

Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone

C19H23N5S (353.16740780000003)


   

Arbutamine hydrochloride

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

   

2-oxindole-3-acetyl-beta-D-glucose

2-oxindole-3-acetyl-beta-D-glucose

C16H19NO8 (353.1110614)


   

(S)-2-amino-4-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-methylbutan-1-ol

(S)-2-amino-4-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-methylbutan-1-ol

C18H21Cl2NO2 (353.0949266)


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].

   

3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one

3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one

C21H23NO4 (353.16269980000004)


   

1-((1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine

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

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-[1-(4-Piperonyl)piperazinyl]benzothiazole

2-[1-(4-Piperonyl)piperazinyl]benzothiazole

C19H19N3O2S (353.1197914)


   

2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

C21H23NO4 (353.16269980000004)


   

2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-hydroxyanilino)-5-pyrimidinecarboxylic acid ethyl ester

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

5-(4-Methylphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

C19H19N3O2S (353.1197914)


   

2-(1,2-Dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone

2-(1,2-Dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone

C23H19N3O (353.15280440000004)


   
   

2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

C19H16ClN3O2 (353.0930986)


   

2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C19H16ClN3O2 (353.0930986)


   

N-(4-methoxyphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide

N-(4-methoxyphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide

C19H19N3O2S (353.1197914)


   
   

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-

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

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

C19H19N3O4 (353.1375494)


   

2,4-Thiazolidinedione, 5-((3,4-dihydro-2-(phenylmethyl)-2H-1-benzopyran-6-yl)methyl)-

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

5-(4-Morpholin-4-YL-phenylsulfanyl)-2,4-quinazolinediamine

C18H19N5OS (353.1310244)


   

Serine-3-aminoadenosine

Serine-3-aminoadenosine

C13H19N7O5 (353.1447604)


   

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

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

3-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenolate

C21H21O5- (353.1388916)


   

3-(2,4-Dihydroxyphenyl)-7-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-5-olate

3-(2,4-Dihydroxyphenyl)-7-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-5-olate

C20H17O6- (353.1025082)


   

3-Prenyl-5,7,2,4-tetrahydroxyisoflavone

3-Prenyl-5,7,2,4-tetrahydroxyisoflavone

C20H17O6- (353.1025082)


   

2-(4-Hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate

2-(4-Hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate

C21H21O5- (353.1388916)


   

3-(2,4-Dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxochromen-7-olate

3-(2,4-Dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxochromen-7-olate

C20H17O6- (353.1025082)


   

a 2-Oxindole-3-acetyl-hexose

a 2-Oxindole-3-acetyl-hexose

C16H19NO8 (353.1110614)


   

N-Acetyl-S-(2,6,7-trimethyl-3,5-dioxo-3H,5H-pyrazolo[1,2-a]pyrazol-1-ylmethyl)-L-cysteine

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,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylic acid

C16H21N2O7+ (353.1348696)


   

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]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

C16H19NO8 (353.1110614)


   

Englitazone

Englitazone

C20H19NO3S (353.1085584000001)


D007004 - Hypoglycemic Agents

   

3,4,5-Trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]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

C16H21N2O7+ (353.1348696)


   

Thalictricavine

Thalictricavine

C21H23NO4 (353.16269980000004)


A natural product found in Corydalis cava.

   
   

trans-5-O-caffeoyl-D-quinate

trans-5-O-caffeoyl-D-quinate

C16H17O9- (353.0872532)


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

5-Chloro-7-[1-piperidinyl(2-pyridinyl)methyl]-8-quinolinol

C20H20ClN3O (353.12948200000005)


   

N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide

C17H18F3N3O2 (353.1351044)


   

4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione

4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione

C20H23N3OS (353.15617480000003)


   

2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide

2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide

C18H19N5O3 (353.14878239999996)


   

1-[[2-(4-Chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea

1-[[2-(4-Chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea

C19H16ClN3O2 (353.0930986)


   

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

C20H17F2N3O (353.1339616)


   
   

N-isopropyl-2-{[3-(3-nitrophenyl)acryloyl]amino}benzamide

N-isopropyl-2-{[3-(3-nitrophenyl)acryloyl]amino}benzamide

C19H19N3O4 (353.1375494)


   

1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinoline

1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinoline

C19H23N5S (353.16740780000003)


   

2-[[2-[(2-Fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenol

2-[[2-[(2-Fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenol

C21H20FNO3 (353.1427142)


   

N-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide

N-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide

C16H23N3O6 (353.1586778)


   

N-[(4-methylphenyl)methyl]-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine

N-[(4-methylphenyl)methyl]-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine

C22H19N5 (353.16403740000004)


   

1-[1-(3-Chloro-4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide

1-[1-(3-Chloro-4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide

C16H17ClFN3O3 (353.0942414)


   

1-(1-Azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone

1-(1-Azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone

C17H24BrNO2 (353.0990304)


   

N-Pyridin-2-yl-3-(o-tolylaminooxalyl-hydrazono)-butyramide

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

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

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

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

N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide

C19H19N3O2S (353.1197914)


   

ethyl (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate

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

[5,6-Dimethyl-3-(pyridin-4-ylmethyl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(2-furanyl)methanone

C19H19N3O2S (353.1197914)


   

(E)-2-cyano-3-[2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

(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

N-(2,6-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide

C19H19N3O4 (353.1375494)


   

3-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-6-(3-methylbut-2-en-1-yl)phenolate

3-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-6-(3-methylbut-2-en-1-yl)phenolate

C21H21O5- (353.1388916)


   

4-[(5-Methyl-2,4-diphenyl-2H-pyrazol-3-ylimino)-methyl]-phenol

4-[(5-Methyl-2,4-diphenyl-2H-pyrazol-3-ylimino)-methyl]-phenol

C23H19N3O (353.15280440000004)


   
   
   
   
   
   

(4-Methoxyphenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone

(4-Methoxyphenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone

C19H19N3O2S (353.1197914)


   

1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

C21H22ClN2O+ (353.1420572)


   

2-(4-chlorophenyl)-1-(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

C21H22ClN2O+ (353.1420572)


   

4-[2-[[1-(Phenylmethyl)-2-benzimidazolyl]thio]ethyl]morpholine

4-[2-[[1-(Phenylmethyl)-2-benzimidazolyl]thio]ethyl]morpholine

C20H23N3OS (353.15617480000003)


   

(2S)-2-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]-2-phenylacetamide

(2S)-2-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]-2-phenylacetamide

C19H16ClN3O2 (353.0930986)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

Erdasporine B

Erdasporine B

C22H15N3O2 (353.116421)


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

(E)-4-naphthalen-1-yl-2-oxo-3-quinolin-2-ylbut-3-enoic acid

C23H15NO3 (353.105188)


   

4H,5H-3-Methoxycarbonyl-4-(1-methoxycarbonylpyrrol-2-YL)methylene-1-phenylpyrazol-5-one

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

3-[[2-(Benzoylamino)phenyl]thio]-5,5-dimethyl-1-cyclohexanone

C21H23NO2S (353.1449418)


   
   

xanthohumol(1-)

xanthohumol(1-)

C21H21O5 (353.1388916)


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

Methanone,(6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-

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

2,2-Dimethyl(pyrano-5,6:3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone

C20H19NO5 (353.12631640000006)


   

6-O-Acetylholocalin

6-O-Acetylholocalin

C16H19NO8 (353.1110614)


   

Sambucus nigra Degraded cyanogenic glycosides (2-Epimer)

Sambucus nigra Degraded cyanogenic glycosides (2-Epimer)

C16H19NO8 (353.1110614)


   

xanthogalenol(1-)

xanthogalenol(1-)

C21H21O5 (353.1388916)


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.).

   

4-Hydroxybenzyl isothiocyanate 4-acetylrhamnoside

4-Hydroxybenzyl isothiocyanate 4-acetylrhamnoside

C16H19NO6S (353.0933034)


   

Chlorogenate

Chlorogenate

C16H17O9 (353.0872532)


A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.

   

ESI-08

ESI-08

C20H23N3OS (353.15617480000003)


ESI-08 is a potent and selective EPAC antagonist, which can completely inhibit both EPAC1 and EPAC2 (IC50 of 8.4 μM) activity. ESI-08 selectively blocks cAMP-induced EPAC activation, but does not inhibit cAMP-mediated PKA activation[1].

   

FATP1-IN-2

FATP1-IN-2

C19H20FN5O (353.1651802)


FATP1-IN-2 (compound 12a), an arylpiperazine derivative, is an orally active fatty acid transport protein 1 (FATP1) inhibitor (human IC50=0.43 μM, mouse IC50=0.39 μM)[1].

   

ML337

ML337

C21H20FNO3 (353.1427142)


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.

   

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

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

(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

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)


   

(9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7h-furo[3,2-g]isoquinoline-2,9-dione

(9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7h-furo[3,2-g]isoquinoline-2,9-dione

C21H23NO4 (353.16269980000004)


   

(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

(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)


   

1-(1,2-dihydroxypropyl)-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione

1-(1,2-dihydroxypropyl)-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione

C21H23NO4 (353.16269980000004)


   

5,6,7-trimethoxy-1-(4-methoxybenzoyl)isoquinoline

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

(2s,3r,4r,5r,6s)-4,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl acetate

C16H19NO6S (353.0933034)


   

(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

(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,13r)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaene

(12s,13r)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaene

C21H23NO4 (353.16269980000004)


   

(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

(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)


   

6-acetylholocalin

NA

C16H19NO8 (353.1110614)


{"Ingredient_id": "HBIN012170","Ingredient_name": "6-acetylholocalin","Alias": "NA","Ingredient_formula": "C16H19NO8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "412","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

methyl (2r)-2-[(1r,2r)-1-[(s)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate

methyl (2r)-2-[(1r,2r)-1-[(s)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate

C16H19NO8 (353.1110614)


   

(3s)-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaen-10-one

(3s)-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaen-10-one

C20H19NO5 (353.12631640000006)


   

3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl acetate

3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl acetate

C16H19NO6S (353.0933034)


   

6,7,8,13,14-pentamethoxy-2-azatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-1,3,5,7,9(16),10,12,14-octaene

6,7,8,13,14-pentamethoxy-2-azatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C20H19NO5 (353.12631640000006)


   

(12r)-16,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene-11-carbaldehyde

(12r)-16,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene-11-carbaldehyde

C20H19NO5 (353.12631640000006)


   

[7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

[7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

C17H23NO7 (353.1474448)


   

16,17-dimethoxy-21-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene

16,17-dimethoxy-21-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene

C21H23NO4 (353.16269980000004)


   

5-({6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)-2h-1,3-benzodioxole-4-carbaldehyde

5-({6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)-2h-1,3-benzodioxole-4-carbaldehyde

C20H19NO5 (353.12631640000006)


   

12,14,16-trimethoxy-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,9,11,13(18),14,16-octaen-9-ol

12,14,16-trimethoxy-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,9,11,13(18),14,16-octaen-9-ol

C19H15NO6 (353.08993300000003)


   

(5r)-6-methyl-5-[(10s)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-10-yl]-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline

(5r)-6-methyl-5-[(10s)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-10-yl]-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline

C20H19NO5 (353.12631640000006)


   

3-(1-hydroxyhexylidene)-9a-methyl-6-[(1e)-prop-1-en-1-yl]furo[3,2-g]isoquinoline-2,9-dione

3-(1-hydroxyhexylidene)-9a-methyl-6-[(1e)-prop-1-en-1-yl]furo[3,2-g]isoquinoline-2,9-dione

C21H23NO4 (353.16269980000004)


   

methyl 3-({1-acetyl-8-hydroxy-9h-pyrido[3,4-b]indol-3-yl}formamido)prop-2-enoate

methyl 3-({1-acetyl-8-hydroxy-9h-pyrido[3,4-b]indol-3-yl}formamido)prop-2-enoate

C18H15N3O5 (353.10116600000003)


   
   

(12r,13r)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaene

(12r,13r)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaene

C21H23NO4 (353.16269980000004)


   

(13s)-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

(13s)-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)


   

14-methyl-7,9,20,22-tetraoxa-14-azapentacyclo[15.7.0.0⁴,¹².0⁶,¹⁰.0¹⁹,²³]tetracosa-1(24),4,6(10),11,17,19(23)-hexaen-2-one

14-methyl-7,9,20,22-tetraoxa-14-azapentacyclo[15.7.0.0⁴,¹².0⁶,¹⁰.0¹⁹,²³]tetracosa-1(24),4,6(10),11,17,19(23)-hexaen-2-one

C20H19NO5 (353.12631640000006)


   

3-methoxy-6-(3-methylbut-2-en-1-yl)-4-phenyl-3h-quinoline-2,4,5-triol

3-methoxy-6-(3-methylbut-2-en-1-yl)-4-phenyl-3h-quinoline-2,4,5-triol

C21H23NO4 (353.16269980000004)


   

7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-yl}-4-methoxy-6-methylhepta-2,4,6-trienimidic acid

7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-yl}-4-methoxy-6-methylhepta-2,4,6-trienimidic acid

C21H23NO4 (353.16269980000004)


   

ethyl 4-{6-oxo-9h-[1,3]dioxolo[4,5-j]phenanthridin-5-yl}butanoate

ethyl 4-{6-oxo-9h-[1,3]dioxolo[4,5-j]phenanthridin-5-yl}butanoate

C20H19NO5 (353.12631640000006)


   

(14r)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2(10),3,8,15,20,22-heptaene-3,14-diol

(14r)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2(10),3,8,15,20,22-heptaene-3,14-diol

C19H15NO6 (353.08993300000003)


   

7'-hydroxy-6'-methoxy-2'-methyl-2,3',4',6-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-one

7'-hydroxy-6'-methoxy-2'-methyl-2,3',4',6-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-one

C20H19NO5 (353.12631640000006)


   

1-[2h-1,3-benzodioxol-5-yl(methoxy)methyl]-6,7-dimethoxyisoquinoline

1-[2h-1,3-benzodioxol-5-yl(methoxy)methyl]-6,7-dimethoxyisoquinoline

C20H19NO5 (353.12631640000006)


   

(3e)-5-{2,6-dimethyl-5-oxopyrano[3,2-c]quinolin-2-yl}-2,2-dimethylpent-3-enoic acid

(3e)-5-{2,6-dimethyl-5-oxopyrano[3,2-c]quinolin-2-yl}-2,2-dimethylpent-3-enoic acid

C21H23NO4 (353.16269980000004)


   

(1s,12r,13r)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

(1s,12r,13r)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

C20H19NO5 (353.12631640000006)


   

3-hexanoyl-9a-methyl-6-(prop-1-en-1-yl)-7h-furo[3,2-g]isoquinoline-2,9-dione

3-hexanoyl-9a-methyl-6-(prop-1-en-1-yl)-7h-furo[3,2-g]isoquinoline-2,9-dione

C21H23NO4 (353.16269980000004)


   

(2s,3r,4r,5s,6s)-3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl acetate

(2s,3r,4r,5s,6s)-3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl acetate

C16H19NO6S (353.0933034)


   

methyl (2r)-2-[(1r,2s)-1-[(s)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate

methyl (2r)-2-[(1r,2s)-1-[(s)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate

C16H19NO8 (353.1110614)


   

(2e,4z,6e)-7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-yl}-4-methoxy-6-methylhepta-2,4,6-trienimidic acid

(2e,4z,6e)-7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-yl}-4-methoxy-6-methylhepta-2,4,6-trienimidic acid

C21H23NO4 (353.16269980000004)


   

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

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)


   

n-(2-{3-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

n-(2-{3-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

C17H23NO5S (353.1296868)


   

(3s,4s)-3-methoxy-6-(3-methylbut-2-en-1-yl)-4-phenyl-3h-quinoline-2,4,5-triol

(3s,4s)-3-methoxy-6-(3-methylbut-2-en-1-yl)-4-phenyl-3h-quinoline-2,4,5-triol

C21H23NO4 (353.16269980000004)


   

15,16-dimethoxy-9,9-dimethyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaene-6,17-diol

15,16-dimethoxy-9,9-dimethyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaene-6,17-diol

C20H19NO5 (353.12631640000006)


   

(2e,4e,6r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-4,6-dimethylocta-2,4-dien-1-one

(2e,4e,6r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-4,6-dimethylocta-2,4-dien-1-one

C21H23NO4 (353.16269980000004)


   

(2e)-3-(2h-1,3-benzodioxol-5-yl)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methylprop-2-enamide

(2e)-3-(2h-1,3-benzodioxol-5-yl)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methylprop-2-enamide

C20H19NO5 (353.12631640000006)


   

4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),4,8,13(17),14-hexaene-3,6-dione

4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),4,8,13(17),14-hexaene-3,6-dione

C20H19NO5 (353.12631640000006)


   

(2e)-n-(2-{3-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

(2e)-n-(2-{3-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

C17H23NO5S (353.1296868)


   

2-{6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol

2-{6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol

C15H23N5O5 (353.1699108)


   

10-{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

10-{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)


   

4-hydroxy-5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,9,14(18),15-heptaene-12,13-dione

4-hydroxy-5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,9,14(18),15-heptaene-12,13-dione

C19H15NO6 (353.08993300000003)


   

5-{6-hydroxy-2h-pyrido[3,4-b]indole-1-carbonyl}-1,3-dimethyl-4-(methylsulfanyl)imidazol-1-ium

5-{6-hydroxy-2h-pyrido[3,4-b]indole-1-carbonyl}-1,3-dimethyl-4-(methylsulfanyl)imidazol-1-ium

[C18H17N4O2S]+ (353.10721620000004)


   

2,3,10,11-tetramethoxy-7,8-dihydro-5h-6-azatetraphene

2,3,10,11-tetramethoxy-7,8-dihydro-5h-6-azatetraphene

C21H23NO4 (353.16269980000004)


   

16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-14-one

16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-14-one

C20H19NO5 (353.12631640000006)


   

(2s)-5-hydroxy-4-[(2e,4e,6e)-1-hydroxy-2,6-dimethylocta-2,4,6-trien-1-ylidene]-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one

(2s)-5-hydroxy-4-[(2e,4e,6e)-1-hydroxy-2,6-dimethylocta-2,4,6-trien-1-ylidene]-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one

C21H23NO4 (353.16269980000004)


   

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

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)


   

1-[(1s,2r)-1,2-dihydroxypropyl]-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione

1-[(1s,2r)-1,2-dihydroxypropyl]-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione

C21H23NO4 (353.16269980000004)


   

4-ethylidene-7,12-dihydroxy-7-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,6,8-trione

4-ethylidene-7,12-dihydroxy-7-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,6,8-trione

C17H23NO7 (353.1474448)


   

5-{[(5s)-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}-2h-1,3-benzodioxole-4-carbaldehyde

5-{[(5s)-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}-2h-1,3-benzodioxole-4-carbaldehyde

C20H19NO5 (353.12631640000006)


   

24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

C20H19NO5 (353.12631640000006)


   

(1s,21r)-16,17-dimethoxy-21-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene

(1s,21r)-16,17-dimethoxy-21-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene

C21H23NO4 (353.16269980000004)


   

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene

C21H23NO4 (353.16269980000004)


   

5,10-dihydroxy-12-methoxy-2,2,11-trimethyl-1-oxa-11-azatetracen-6-one

5,10-dihydroxy-12-methoxy-2,2,11-trimethyl-1-oxa-11-azatetracen-6-one

C20H19NO5 (353.12631640000006)


   

1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-4,6-dimethylocta-2,4-dien-1-one

1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-4,6-dimethylocta-2,4-dien-1-one

C21H23NO4 (353.16269980000004)


   

4,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl acetate

4,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl acetate

C16H19NO6S (353.0933034)


   

(3s,4r,6r,10s)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,13,15,17(21)-hexaene-4,6,13-triol

(3s,4r,6r,10s)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,13,15,17(21)-hexaene-4,6,13-triol

C18H15N3O3S (353.0834080000001)


   

3-(2h-1,3-benzodioxol-5-yl)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methylprop-2-enamide

3-(2h-1,3-benzodioxol-5-yl)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methylprop-2-enamide

C20H19NO5 (353.12631640000006)


   

3-(1-hydroxyhexylidene)-9a-methyl-6-(prop-1-en-1-yl)furo[3,2-g]isoquinoline-2,9-dione

3-(1-hydroxyhexylidene)-9a-methyl-6-(prop-1-en-1-yl)furo[3,2-g]isoquinoline-2,9-dione

C21H23NO4 (353.16269980000004)


   

(9s)-4,16-dimethoxy-10-(prop-2-en-1-yl)-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol

(9s)-4,16-dimethoxy-10-(prop-2-en-1-yl)-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol

C21H23NO4 (353.16269980000004)


   

6-methyl-7,8-dihydro-2h-3',5',12'-trioxaspiro[[1,3]dioxolo[4,5-g]isoquinoline-5,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1',6',8'-triene

6-methyl-7,8-dihydro-2h-3',5',12'-trioxaspiro[[1,3]dioxolo[4,5-g]isoquinoline-5,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1',6',8'-triene

C20H19NO5 (353.12631640000006)


   

(1r,13s,24s)-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

(1r,13s,24s)-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)


   

(1r,12s,13r)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

(1r,12s,13r)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

C20H19NO5 (353.12631640000006)


   

[(7r,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3r,4r)-3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

[(7r,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3r,4r)-3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

C17H23NO7 (353.1474448)


   

(2-{1,2-dimethoxy-9h-phenanthro[2,3-d][1,3]dioxol-4-yl}ethyl)dimethylamine

(2-{1,2-dimethoxy-9h-phenanthro[2,3-d][1,3]dioxol-4-yl}ethyl)dimethylamine

C21H23NO4 (353.16269980000004)


   

(3r,4r,5r,6r,10s)-4,6-dihydroxy-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaen-13-one

(3r,4r,5r,6r,10s)-4,6-dihydroxy-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaen-13-one

C18H15N3O3S (353.0834080000001)


   

5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2(10),3,8,15,20,22-heptaene-3,14-diol

5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2(10),3,8,15,20,22-heptaene-3,14-diol

C19H15NO6 (353.08993300000003)


   

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

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)


   

(12r)-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

(12r)-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)


   

3,4,10,11-tetramethoxy-7,8-dihydro-5h-6-azatetraphene

3,4,10,11-tetramethoxy-7,8-dihydro-5h-6-azatetraphene

C21H23NO4 (353.16269980000004)


   

(1s)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-14-one

(1s)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-14-one

C20H19NO5 (353.12631640000006)


   

(2r,3s,4r,5s)-2-(6-{[(3s)-4-hydroxy-3-methylbutyl]amino}purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2r,3s,4r,5s)-2-(6-{[(3s)-4-hydroxy-3-methylbutyl]amino}purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C15H23N5O5 (353.1699108)


   

5,10,11,12-tetramethoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-8-one

5,10,11,12-tetramethoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-8-one

C20H19NO5 (353.12631640000006)


   

(1r,3s,4s,7r,8r,11r,12s,13r)-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.0³,⁷]tetradecane-4,12,13-triol

(1r,3s,4s,7r,8r,11r,12s,13r)-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.0³,⁷]tetradecane-4,12,13-triol

C17H23NO7 (353.1474448)


   

6-methyl-5-{3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-10-yl}-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline

6-methyl-5-{3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-10-yl}-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline

C20H19NO5 (353.12631640000006)


   

methyl (2r)-2-[(1r,2s)-1-[(r)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate

methyl (2r)-2-[(1r,2s)-1-[(r)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate

C16H19NO8 (353.1110614)


   

11-hydroxy-2,3,10-trimethoxy-7,8-dihydro-6-azatetraphen-5-one

11-hydroxy-2,3,10-trimethoxy-7,8-dihydro-6-azatetraphen-5-one

C20H19NO5 (353.12631640000006)