Exact Mass: 494.1777
Exact Mass Matches: 494.1777
Found 500 metabolites which its exact mass value is equals to given mass value 494.1777
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harpagoside
Harpagoside is a terpene glycoside. Harpagoside is a natural product found in Verbascum lychnitis, Verbascum sinuatum, and other organisms with data available. See also: Harpagophytum procumbens root (part of); Harpagophytum zeyheri root (part of). Origin: Plant; SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids Harpagoside is isolated from Harpagophytum procumbens. Harpagoside has inhibitory effects on COX-1 and COX-2 activity and inhibits NO production[1]. Harpagoside is isolated from Harpagophytum procumbens. Harpagoside has inhibitory effects on COX-1 and COX-2 activity and inhibits NO production[1].
Amdro
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4856; ORIGINAL_PRECURSOR_SCAN_NO 4854 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4845; ORIGINAL_PRECURSOR_SCAN_NO 4843 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4858; ORIGINAL_PRECURSOR_SCAN_NO 4856 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4880; ORIGINAL_PRECURSOR_SCAN_NO 4878 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9324; ORIGINAL_PRECURSOR_SCAN_NO 9322 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9290; ORIGINAL_PRECURSOR_SCAN_NO 9289 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4940; ORIGINAL_PRECURSOR_SCAN_NO 4938 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4851; ORIGINAL_PRECURSOR_SCAN_NO 4847 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9266; ORIGINAL_PRECURSOR_SCAN_NO 9265 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9299; ORIGINAL_PRECURSOR_SCAN_NO 9298 CONFIDENCE standard compound; INTERNAL_ID 350; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9304; ORIGINAL_PRECURSOR_SCAN_NO 9303
3,6,9,12-Tetraazatetradecanedioic acid, 3,6,9,12-tetrakis(carboxymethyl)-
D064449 - Sequestering Agents > D002614 - Chelating Agents
2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Harpagoside
combretastatin A-1 2-beta-D-glucoside|combretastatin A-1 2-O-beta-D-glucopyranoside
3beta-hydroxystilpnotomentolide-8-O-(5-acetoxysenecioate)
4-[4-(Tetra-O-acetyl-beta-D-glucopyranosyloxy)-phenyl]-butan-2-on|4-[4-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-phenyl]-butan-2-one|raspberry ketone tetra-O-acetyl-beta-D-glucopyranoside
6,6-(2-Methyl-1,5-dioxopentane-1,5-diyl)bis[1,3-dimethylpteridine-2,4(1H,3H)-dione]
2,5-di-O-beta-D-glucopyranosyloxy-1,3-dimethoxybenzene
(5S)-1,7-bis-(3,4-dihydroxyphenyl)-5-hydroxyheptane-3-on-5-O-beta-D-xylopyranoside|oregonin
4-hydroxy-3,5-dimethoxyphenyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|4-hydroxy-3,5-dimethoxyphenyl-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
8alpha-(5-acetoxy senecioyloxy)-3-beta-hydroxy-10alphaH-hirsutinolide-13-O-acetate|8alpha-<5-acetoxy senecioyloxy>-3-beta-hydroxy-10alphaH-hirsutinolide-13-O-acetate
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)octan-1-imine
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate_minor
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate_major
hydramethylnon
Ala Glu Glu Phe
Ala Glu Phe Glu
Ala Phe Glu Glu
Cys Cys Asn Arg
Cys Cys Arg Asn
Cys Glu Phe Pro
Cys Glu Ile Met
Cys Glu Leu Met
Cys Glu Met Ile
Cys Glu Met Leu
Cys Glu Pro Phe
Cys Phe Glu Pro
Cys Phe Pro Glu
Cys Ile Glu Met
Cys Ile Met Glu
Cys Lys Met Asn
Cys Lys Asn Met
Cys Leu Glu Met
Cys Leu Met Glu
Cys Met Glu Ile
Cys Met Glu Leu
Cys Met Ile Glu
Cys Met Lys Asn
Cys Met Leu Glu
Cys Met Asn Lys
Cys Met Asn Gln
Cys Met Gln Asn
Cys Asn Cys Arg
Cys Asn Lys Met
Cys Asn Met Lys
Cys Asn Met Gln
Cys Asn Gln Met
Cys Asn Arg Cys
Cys Pro Glu Phe
Cys Pro Phe Glu
Cys Gln Met Asn
Cys Gln Asn Met
Cys Arg Cys Asn
Cys Arg Asn Cys
Asp Asp Phe Val
Asp Asp Val Phe
Asp Glu Met Thr
Asp Glu Thr Met
Asp Phe Asp Val
Asp Phe Val Asp
Asp His His Ser
Asp His Ser His
Asp Met Glu Thr
Asp Met Met Val
Asp Met Thr Glu
Asp Met Val Met
Asp Pro Thr Tyr
Asp Pro Tyr Thr
Asp Ser His His
Asp Thr Glu Met
Asp Thr Met Glu
Asp Thr Pro Tyr
Asp Thr Tyr Pro
Asp Val Asp Phe
Asp Val Phe Asp
Asp Val Met Met
Asp Tyr Pro Thr
Asp Tyr Thr Pro
Glu Ala Glu Phe
Glu Ala Phe Glu
Glu Cys Phe Pro
Glu Cys Ile Met
Glu Cys Leu Met
Glu Cys Met Ile
Glu Cys Met Leu
Glu Cys Pro Phe
Glu Asp Met Thr
Glu Asp Thr Met
Glu Glu Ala Phe
Glu Glu Phe Ala
Glu Glu Met Ser
Glu Glu Ser Met
Glu Phe Ala Glu
Glu Phe Cys Pro
Glu Phe Glu Ala
Glu Phe Pro Cys
Glu Ile Cys Met
Glu Ile Met Cys
Glu Leu Cys Met
Glu Leu Met Cys
Glu Met Cys Ile
Glu Met Cys Leu
Glu Met Asp Thr
Glu Met Glu Ser
Glu Met Ile Cys
Glu Met Leu Cys
Glu Met Ser Glu
Glu Met Thr Asp
Glu Pro Cys Phe
Glu Pro Phe Cys
Glu Pro Ser Tyr
Glu Pro Tyr Ser
Glu Ser Glu Met
Glu Ser Met Glu
Glu Ser Pro Tyr
Glu Ser Tyr Pro
Glu Thr Asp Met
Glu Thr Met Asp
Glu Tyr Pro Ser
Glu Tyr Ser Pro
Phe Ala Glu Glu
Phe Cys Glu Pro
Phe Cys Pro Glu
Phe Asp Asp Val
Phe Asp Val Asp
Phe Glu Ala Glu
Phe Glu Cys Pro
Phe Glu Glu Ala
Phe Glu Pro Cys
Phe Pro Cys Glu
Phe Pro Glu Cys
Phe Val Asp Asp
His Asp His Ser
His Asp Ser His
His His Asp Ser
His His Ser Asp
His Ser Asp His
His Ser His Asp
Ile Cys Glu Met
Ile Cys Met Glu
Ile Glu Cys Met
Ile Glu Met Cys
Ile Met Cys Glu
Ile Met Glu Cys
Lys Cys Met Asn
Lys Cys Asn Met
Lys Met Cys Asn
Lys Met Asn Cys
Lys Asn Cys Met
Lys Asn Met Cys
Leu Cys Glu Met
Leu Cys Met Glu
Leu Glu Cys Met
Leu Glu Met Cys
Leu Met Cys Glu
Leu Met Glu Cys
Met Cys Glu Ile
Met Cys Glu Leu
Met Cys Ile Glu
Met Cys Lys Asn
Met Cys Leu Glu
Met Cys Asn Lys
Met Cys Asn Gln
Met Cys Gln Asn
Met Asp Glu Thr
Met Asp Met Val
Met Asp Thr Glu
Met Asp Val Met
Met Glu Cys Ile
Met Glu Cys Leu
Met Glu Asp Thr
Met Glu Glu Ser
Met Glu Ile Cys
Met Glu Leu Cys
Met Glu Ser Glu
Met Glu Thr Asp
Met Ile Cys Glu
Met Ile Glu Cys
Met Lys Cys Asn
Met Lys Asn Cys
Met Leu Cys Glu
Met Leu Glu Cys
Met Met Asp Val
Met Met Val Asp
Met Asn Cys Lys
Met Asn Cys Gln
Met Asn Lys Cys
Met Asn Gln Cys
Met Gln Cys Asn
Met Gln Asn Cys
Met Ser Glu Glu
Met Thr Asp Glu
Met Thr Glu Asp
Met Val Asp Met
Met Val Met Asp
Asn Cys Cys Arg
Asn Cys Lys Met
Asn Cys Met Lys
Asn Cys Met Gln
Asn Cys Gln Met
Asn Cys Arg Cys
Asn Lys Cys Met
Asn Lys Met Cys
Asn Met Cys Lys
Asn Met Cys Gln
Asn Met Lys Cys
Asn Met Gln Cys
Asn Gln Cys Met
Asn Gln Met Cys
Asn Arg Cys Cys
Pro Cys Glu Phe
Pro Cys Phe Glu
Pro Asp Thr Tyr
Pro Asp Tyr Thr
Pro Glu Cys Phe
Pro Glu Phe Cys
Pro Glu Ser Tyr
Pro Glu Tyr Ser
Pro Phe Cys Glu
Pro Phe Glu Cys
Pro Ser Glu Tyr
Pro Ser Tyr Glu
Pro Thr Asp Tyr
Pro Thr Tyr Asp
Pro Tyr Asp Thr
Pro Tyr Glu Ser
Pro Tyr Ser Glu
Pro Tyr Thr Asp
Gln Cys Met Asn
Gln Cys Asn Met
Gln Met Cys Asn
Gln Met Asn Cys
Gln Asn Cys Met
Gln Asn Met Cys
Arg Cys Cys Asn
Arg Cys Asn Cys
Arg Asn Cys Cys
Ser Asp His His
Ser Glu Glu Met
Ser Glu Met Glu
Ser Glu Pro Tyr
Ser Glu Tyr Pro
Ser His Asp His
Ser His His Asp
Ser Met Glu Glu
Ser Pro Glu Tyr
Ser Pro Tyr Glu
Ser Tyr Glu Pro
Ser Tyr Pro Glu
Thr Asp Glu Met
Thr Asp Met Glu
Thr Asp Pro Tyr
Thr Asp Tyr Pro
Thr Glu Asp Met
Thr Glu Met Asp
Thr Met Asp Glu
Thr Met Glu Asp
Thr Pro Asp Tyr
Thr Pro Tyr Asp
Thr Tyr Asp Pro
Thr Tyr Pro Asp
Val Asp Asp Phe
Val Asp Phe Asp
Val Asp Met Met
Val Phe Asp Asp
Val Met Asp Met
Val Met Met Asp
Tyr Asp Pro Thr
Tyr Asp Thr Pro
Tyr Glu Pro Ser
Tyr Glu Ser Pro
Tyr Pro Asp Thr
Tyr Pro Glu Ser
Tyr Pro Ser Glu
Tyr Pro Thr Asp
Tyr Ser Glu Pro
Tyr Ser Pro Glu
Tyr Thr Asp Pro
Tyr Thr Pro Asp
4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl 2,3-dihydroxy-2-(4-hydroxybenzyl)butanoate
WZ4002
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(4R,5S)-2-(4-(TERT-BUTYL)-2-ETHOXYPHENYL)-4,5-BIS(4-CHLOROPHENYL)-4,5-DIMETHYL-4,5-DIHYDRO-1H-IMIDAZOLE
Toceranib phosphate
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
Arformoterol tartrate
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Spectinomycin hydrochloride
C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(7-methylsulfanylheptyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl]-2-(methoxycarbonylamino)butanoic acid
15-O-propionylbruceolide
A quassinoid that is the 15-O-propionyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-pyridin-4-ylmethanone
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-[methyl-(phenylmethyl)amino]ethyl]benzamide
N-[4-[cyano-[3-[2-(4-morpholinyl)ethylamino]-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
1-[3-[(2-Methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)phenyl]-3-(3-methylphenyl)urea
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
2-[(3S,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
N-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
[(8S,9R,10S)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
methyl (2S,3R,4S)-3-ethenyl-4-[(E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]ethenyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
N-[[(4S,5R)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4R,5R)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
2-[(3S,6aR,8R,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3R,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3S,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3R,6aR,8S,10aR)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyrimidin-4-ylmethyl)acetamide
N-[[(4S,5R)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5S)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4R,5R)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
2-[(3R,6aR,8S,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3R,6aS,8S,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
[(8R,9S,10S)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
2-[(3R,6aR,8R,10aR)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
[(8S,9S,10R)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10S)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3S,6aR,8S,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3R,6aR,8R,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
[(8R,9S,10R)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-6-(3-methoxyphenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
4-(3,4-Dimethoxybenzoyl)-5-(4-ethoxy-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
3,4,5-trihydroxy-6-[(14-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl)oxy]oxane-2-carboxylic acid
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3-ethoxyphenyl)benzamide
(2S,3R,4S)-4-[(E)-2-[1-(carboxymethyl)pyridin-1-ium-3-yl]ethenyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
[(4aS,5R,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
spectinomycin hydrochloride hydrate
A hydrate that is the pentahydrate form of spectinomycin hydrochloride. An antibiotic that is active against gram-negative bacteria and used to treat gonorrhea.
2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
ML380
ML380 is a potent, subtype-selective, and brain-penetrant positive allosteric modulator (PAM) of M5 mAChR, with EC50s of 190 and 610 nM for human and rat M5, respectively. ML380 exhibits moderate selectivity versus the M1 and M3 mAChR subtypes. ML380 could increase the affinity of ACh for the M5 mAChR[1][2][3].
5-ethenyl-15-hydroxy-3,17-dimethoxy-12-(3,4,5-trihydroxy-6-methyloxan-2-yl)-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one
3-hydroxy-2-{[(1e)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(2-oxo-2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}ethyl)amino]cyclohex-2-en-1-ylidene]amino}propanoic acid
2,3-dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylic acid
19-ethenyl-25,26-dihydroxy-24-(hydroxymethyl)-21,23,28,29-tetraoxa-4,14-diazaheptacyclo[18.8.1.0²,¹⁸.0⁴,¹⁶.0⁷,¹⁵.0⁸,¹³.0²²,²⁷]nonacosa-2(18),7(15),8,10,12,16-hexaen-3-one
12-[(acetyloxy)methyl]-5-hydroxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 4-(acetyloxy)-3-methylbut-2-enoate
6-hydroxy-9-(2-hydroxy-1-methoxy-3-methylbut-3-en-1-yl)-12-methyl-5-oxo-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-4-yl acetate
12-[(2r,3r,4s,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]oxolan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one
4-{4-[3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-hexahydrofuro[3,4-c]furan-1-yl}benzene-1,2-diol
6-[5-(1,3-dimethyl-2,4-dioxopteridin-6-yl)-4-methyl-5-oxopentanoyl]-1,3-dimethylpteridine-2,4-dione
1-(beta-carbolin-1-yl)-4-(4,8-dimethoxy-beta-carbolin-1-yl)-2-methoxy-butan-1-one
{"Ingredient_id": "HBIN002385","Ingredient_name": "1-(beta-carbolin-1-yl)-4-(4,8-dimethoxy-beta-carbolin-1-yl)-2-methoxy-butan-1-one","Alias": "1-(\u03b2-carbolin-1-yl)-4-(4,8-dimethoxy-\u03b2-carbolin-1-yl)-2-methoxy-butan-1-one","Ingredient_formula": "C29H26N4O4","Ingredient_Smile": "COC1=CC=CC2=C1NC3=C2C(=CN=C3CCC(C(=O)C4=NC=CC5=C4NC6=CC=CC=C56)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30736;3160","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-O-methylpaeoniflorin
{"Ingredient_id": "HBIN010793","Ingredient_name": "4-O-methylpaeoniflorin","Alias": "NA","Ingredient_formula": "C24H30O11","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)OC","Ingredient_weight": "494.5 g/mol","OB_score": "25.70632536","CAS_id": "NA","SymMap_id": "SMIT08816","TCMID_id": "33122","TCMSP_id": "MOL007368","TCM_ID_id": "NA","PubChem_id": "46882921","DrugBank_id": "NA"}
4-o-methyl-paeoniflorin
{"Ingredient_id": "HBIN010794","Ingredient_name": "4-o-methyl-paeoniflorin","Alias": "NA","Ingredient_formula": "C24H30O11","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)OC","Ingredient_weight": "494.5 g/mol","OB_score": "25.70632536","CAS_id": "NA","SymMap_id": "SMIT08529","TCMID_id": "NA","TCMSP_id": "MOL007011","TCM_ID_id": "NA","PubChem_id": "46882921","DrugBank_id": "NA"}
ajugol; 6-o-(4-hydroxy-e-cinnamoyl)
{"Ingredient_id": "HBIN014996","Ingredient_name": "ajugol; 6-o-(4-hydroxy-e-cinnamoyl)","Alias": "NA","Ingredient_formula": "C24H30O11","Ingredient_Smile": "NA","Ingredient_weight": "494.49","OB_score": "NA","CAS_id": "124168-05-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7087","PubChem_id": "NA","DrugBank_id": "NA"}
artabitrycinol
{"Ingredient_id": "HBIN016910","Ingredient_name": "artabitrycinol","Alias": "NA","Ingredient_formula": "C27H26O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
artabotrycinol
{"Ingredient_id": "HBIN016918","Ingredient_name": "artabotrycinol","Alias": "NA","Ingredient_formula": "C27H26O9","Ingredient_Smile": "C1=CC2=C(C=C1C=CCO)OC(C(O2)CO)C3=CC4=C(C=C3)OC(C(O4)CO)C5=CC(=C(C=C5)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1776","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}