Exact Mass: 320.1125
Exact Mass Matches: 320.1125
Found 500 metabolites which its exact mass value is equals to given mass value 320.1125,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Coptisine
Coptisine is an alkaloid. It has a role as a metabolite. Coptisine is a natural product found in Fumaria capreolata, Fumaria muralis, and other organisms with data available. See also: Sanguinaria canadensis root (part of); Chelidonium majus flowering top (part of). A natural product found in Coptis japonica.
Mycophenolic acid
Mycophenolic acid is an an immunosuppresant drug and potent anti-proliferative, and can be used in place of the older anti-proliferative azathioprine. It is usually used as part of triple therapy including a calcineurin inhibitor (ciclosporin or tacrolimus) and prednisolone. It is also useful in research for the selection of animal cells that express the E. coli gene coding for XGPRT (xanthine guanine phosphoribosyltransferase). L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant CONFIDENCE standard compound; INTERNAL_ID 8577 CONFIDENCE standard compound; INTERNAL_ID 2698 CONFIDENCE standard compound; INTERNAL_ID 4128 COVID info from COVID-19 Disease Map D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Mycophenolic acid is a potent uncompetitive inosine monophosphate dehydrogenase (IMPDH) inhibitor with an EC50 of 0.24 μM.?Mycophenolic acid demonstrates antiviral effects against a wide range of RNA viruses including influenza. Mycophenolic acid is an immunosuppressive agent. Antiangiogenic and antitumor effects[1][2].
Phenolphthalin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3788; ORIGINAL_PRECURSOR_SCAN_NO 3786 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3838; ORIGINAL_PRECURSOR_SCAN_NO 3835 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3790; ORIGINAL_PRECURSOR_SCAN_NO 3789 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3797; ORIGINAL_PRECURSOR_SCAN_NO 3795 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3856; ORIGINAL_PRECURSOR_SCAN_NO 3855 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3849; ORIGINAL_PRECURSOR_SCAN_NO 3846
Enoxacin
Enoxacin is only found in individuals that have used or taken this drug. It is a broad-spectrum 6-fluoronaphthyridinone antibacterial agent (fluoroquinolones) structurally related to nalidixic acid. [PubChem]Enoxacin exerts its bactericidal action via the inhibition of the essential bacterial enzyme DNA gyrase (DNA Topoisomerase II). J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3078
Alangimarine
A member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and vinyl substituents at positions 2, 3 and 12 respectively.
Isomugineic acid
Mugineic acid is found in barley. Excreted from the roots of barley (Hordeum vulgare), also in root-washings of oat and ric Isolated from roots of barley (Hordeum vulgare). Isomugineic acid is found in barley and cereals and cereal products.
Articaine HCl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-(2-aminoethylamino)-2-hydroxy-4-oxobutanoic acid
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide
Oleacein
Constituent of Olea europaea (olive)and is) also from Jasminum grandiflorum (Royal jasmine). Oleacein is found in many foods, some of which are green vegetables, tea, herbs and spices, and olive. Oleacein is found in fats and oils. Oleacein is a constituent of Olea europaea (olive). Also from Jasminum grandiflorum (Royal jasmine).
2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits. 2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. 2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits.
Helipyrone
Helipyrone is found in herbs and spices. Helipyrone is a constituent of Helichrysum italicum (curry plant)
D-Fructosazine
D-Fructosazine is present in ammonia caramels and soy sauce. Present in ammonia caramels and soy sauce
(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
N(4)-Acetylsulfamethazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid
N-Acetylsulfamethazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(2S,3S,4S,5S)-2-(5-Amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Corylin
Corylin is a natural product found in Ulex airensis, Erythrina sacleuxii, and other organisms with data available. Corylin is an important bioactive compound isolated from psoralen; an antibiotic or anticancer compound. Corylin is an important bioactive compound isolated from psoralen; an antibiotic or anticancer compound.
[9S-(9R*,10E,11aS*)]-9-(acetyloxy)-5,6,9,11a-tetrahydro-3-(hydroxymethyl)-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione
Artemexifolin
(+)-Rubiginone B2; X-14881C; 8-O-Methyl-ochramycinone
3,4-Dihydrospiro[naphthalene-1(2H),2-naphtho[1,8-de][1,3]dioxin]-4,5-diol
2-hydroxy-6-hydroxymethyl-4-methoxy-3-(2,4-octadienoyl)benzoic acid
5,6,7-TRIMETHOXY-8-(3-METHYL-2-OXOBUTYL)CHROMEN-2-ONE
7-hydroxymethyl-5-methoxy-4-oxo-2-(1-pentenyl)chroman-8-carboxylic acid
Melbex
Mycophenolic acid is a potent uncompetitive inosine monophosphate dehydrogenase (IMPDH) inhibitor with an EC50 of 0.24 μM.?Mycophenolic acid demonstrates antiviral effects against a wide range of RNA viruses including influenza. Mycophenolic acid is an immunosuppressive agent. Antiangiogenic and antitumor effects[1][2].
2-Carboxy-alpha-[(3-carboxy-3-hydroxypropyl)amino]-beta-hydroxy-1-azetidinebutanoic acid
N4-acetylsulfamethazine
A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 247 EAWAG_UCHEM_ID 247; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2012
(3Z,6Z)-3-[(4-Methoxyphenyl)methylene]-6-(phenylmethylene)-2,5-piperazinedione
t-butyl 3-[(1-methylthiopropyl)thio]-2-propenyl malonate
3,6-Dimethoxy-4,8-dihydroxy-4-(2-oxopropyl)-7-ethyl-1,4-dihydronaphthalene-1-one
8-(2-acetoxy-3-hydroxyisopentyl)-7-methoxycoumarin
1-(4,6-dihydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propan-2-ol|2,3-Di-Me ether-1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol
(5S*,7R*,8S*,10S*)-2,3-Epoxy-14-acetoxy-15-hydroxyelema-1,3,11(13)-trien-8,12-olide
13-acetoxy-8alpha-hydroxy-7,11-dehydro-11,13-dihydroanhydroverlotorin
3-O-desacetyl-1-oxoafraglaucolide|anomalactone C|[(9S*,10E,11aR*)-2,4,5,6,7,8,9,11a-octahydro-9-hydroxy-10-methyl-6-methylidene-2,7-dioxocyclodeca[b]furan-3-yl]methyl acetate
3alpha-Acetoxy-3beta-deshydroxy-iso-seco-tanapartholide
rel-9alpha,11alpha-epoxy-1,4,8alpha-trihydroxy-2-methoxy-8abeta-methyl-5,6,7,8,8a,9,10,10abeta-octahydro-10-anthracenone
1,2-diguaiacylpropane-1,3-diol
A member of the class of propane-1,3-diols that is propane-1,3-diol substituted by 4-hydroxy-3-methoxyphenyl groups at positions 1 and 2 respectively.
6alpha-acetoxy-1beta-hydroxyperoxyguaia-4(15),10(14),11(13)-trien-8alpha,12-olide
2,3-Dihydro-3,9-dihydroxy-4-phenyl-5-methoxy-1H-phenalene-1-one
1-desoxy-1alpha-peroxy-rubicolin A-8-O-acetate|1-Desoxy-1alpha-peroxy-rupicolin A-8 (O)-acetat|1-desoxy-1alpha-peroxyrupicolin B-8-O-acetate
1-(3-hydroxy-4-methoxyphenyl)-3-(2,4-dihydroxy-5-methoxyphenyl) propan-1-ol
(+)-(1R,5R,6R,7R,8S,10S)-8-acetoxy-10-hydroxy-2-oxoguai-3,11(13)-dien-6,12-olide|argyinolide B
(2aS,5R,5aR,6aS,9bR,9cS)-2a,3,4,5,5a,6,6a,8,9b,9c-decahydro-9,9c-dimethyl-2,8-dioxo-2H-naphtho[2,3-b:4,5-b,c]difuran-5-yl acetate|1beta-acetoxyeremophil-7(11)-ene-6alpha,15beta;8alpha,12-diolide
6-(6-hydroxy-4-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid|6-(6-hydroxy-4-methoxy-7-methyl-3-oxo-phthalan-5-yl)-4-methyl-hex-4-enoic acid|6-(6-Hydroxy-4-methoxy-7-methyl-3-oxo-phthalan-5-yl)-4-methyl-hex-4-ensaeure
(3R,10S)-10-hydroxy-5,10-dihydroisomucronulatol|oxytropisoflavan B
8alpha-acetoxy-1alpha-hydroxy-3alpha,4alpha-epoxy-5alpha,7alphaH-9,11(13)-guaiadien-12,6alpha-olide
5-Hydroxy-6,6-dimethylpyrano<2,3:7,6>flavon|5-hydroxy-6,6-dimethylpyrano<3,2:6,7>flavone|5-Hydroxy-8,8-dimethyl-2-phenyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one,9CI|5-hydroxy-8,8-dimethyl-2-phenyl-8H-pyrano[3,2-g]chromen-4-one
1alpha-acetoxy-8alpha-hydroxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide|1alpha-acetoxy-8alpha-hydroxy-2-oxoeudesman-3,7(11)-dien-8,12-olide
3-acetoxy-11betaH,13-didydroisabelin|3beta-acetoxy-11beta,13-dihydroisabelin
1-N-beta-D-ribofuranosyldamirone C|N-1-beta-D-ribofuranosyldamirone C
alpha-Amino-beta-hydroxy-4,6-dimethyl-9-oxo-4,9-dihydro-1H-imidazo[1,2-a]purine-7-butanoic acid
14-Aldehyde,15-Ac-6,14,15-Trihydroxy-1,4,11-germacratrien-12,8-olide
Mycophenolic acid
A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant COVID info from COVID-19 Disease Map D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE isolated standard relative retention time with respect to 9-anthracene Carboxylic Acid is 1.096 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.098 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2808 Mycophenolic acid is a potent uncompetitive inosine monophosphate dehydrogenase (IMPDH) inhibitor with an EC50 of 0.24 μM.?Mycophenolic acid demonstrates antiviral effects against a wide range of RNA viruses including influenza. Mycophenolic acid is an immunosuppressive agent. Antiangiogenic and antitumor effects[1][2].
Tropisetron
Tropisetron Hydrochloride (SDZ-ICS-930) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM Target: 5-HT3 receptor; α7-nicotinic receptor in vitro: Retinal ganglion cells(RGCs) pretreated with 100 nM tropisetron before glutamate increased cell survival to an average of 105\% compared to controls. Inhibition studies using the alpha7 nAChR antagonist, MLA (10 nM), support the hypothesis that tropisetron is an effective neuroprotective agent against glutamate-induced excitotoxicity; mediated by α7 nAChR activation. Tropisetron had no discernible effects on pAkt levels but significantly decreased p38 MAPK levels associated with excitotoxicity from an average of 15 ng/ml to 6 ng/ml [2]. Tropisetron, but not granisetron, significantly inhibits the phosphatase activity of calcineurin, over-expresses the CB(1) receptors at both transcriptional and protein levels, and reduces cAMP content in cerebellar granule neurons (CGNs) [4]. in vivo: Animals were treated intracerebroventricularly with tropisetron, mCPBG (selective 5-HT3 receptor agonist) or mCPBG plus tropisetron on days 1, 3, 5 and 7. Tropisetron significantly diminished the elevated levels of these markers and reversed the cognitive deficit. Interestingly, tropisetron was also found to be a potent inhibitor of calcineurin phosphatase activity [1]. tropisetron (5mg/kg/day) plus mCPBG (10mg/kg/day), and granisetron (5mg/kg/day) intraperitoneally on days 3-35 post-immunization. Treatment with tropisetron and granisetron markedly suppressed the clinical symptoms of EAE (p<0.001) and reduced leukocyte infiltration as well as demyelination in the spinal cord (p<0.05) [3].
3,3-methylenebis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one)
[(2R)-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propan-2-yl] 3-(3,4-dihydroxyphenyl)propanoate
Mycophenolic-acid
[Raw Data] CBA66_Mycophenolic-acid_pos_50eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_40eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_30eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_20eV.txt [Raw Data] CBA66_Mycophenolic-acid_pos_10eV.txt
Ala Ala Cys Gly
Ala Ala Gly Cys
Ala Cys Ala Gly
Ala Cys Gly Ala
Ala Gly Ala Cys
Ala Gly Cys Ala
Cys Ala Ala Gly
Cys Ala Gly Ala
Cys Gly Ala Ala
Gly Ala Ala Cys
Gly Ala Cys Ala
Gly Cys Ala Ala
Triciribine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite Triciribine is a DNA synthesis inhibitor, also inhibits Akt and HIV-1/2 with IC50 of 130 nM, and 0.02-0.46 μM, respectively.
helipyrone
Isomugineic acid
2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
Benzenamine,N,N-(1,4-phenylenedimethylidyne)bis[4-fluoro- (9CI)
3-PHENYL-1-(PYRIDIN-2-YL)-5H-INDENO[1,2-C]PYRIDINE
Ethyl 5,8-dimethoxy-4-(methoxymethoxy)-2-naphthoate
1-Naphthalenecarboxylicacid, 2-(3-methoxybenzoyl)hydrazide
9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLINE DIHYDROCHLORIDE
ETHYL 1-(4-CHLOROPHENYL)-4-PENTYL-1H-PYRAZOLE-3-CARBOXYLATE
(Z)-4-butoxy-4-oxobut-2-enoic acid,chloroethene,ethenyl acetate
BIS(2-METHYLALLYL)-1,5-CYCLOOCTADIENERUTHENIUM (II)
Benzyloxycarbonyl-L-alanine N-hydroxy succinimide ester
[4-(4-fluoro-phenyl)-piperazin-1-yl]-thiophen-3-yl-acetic acid
tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate
4-BENZYL-5-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)-1,2,4-TRIAZOLE-3-THIOL
3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
3-[(3-methoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
promethazine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
N-(4-acetylaminophenyl)-3-hydroxynaphthalene-2-carboxamide
Promazine hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
[4-(4-fluoro-phenyl)-piperazin-1-yl]-thiophen-2-yl-acetic acid
5-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-4-(QUINOXALIN-6-YL)-1H-IMIDAZOL-2-AMINE
methyl 2,3,4-tri-o-acetyl-1-thio-beta-l-fucopyranoside
5-Chloro-2-methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)propanoate
Benzyloxycarbonyl-D-alanine N-hydroxysuccinimide ester
2-[4-Aminosulfonyl-phenyl]-ethyl-5-methylpyrazinecarboxamide
lithium,1,2-bis(ethenyl)benzene,2-ethenylbenzenesulfonate
methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate
3-[3-(4-METHOXY-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID
(2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid
1-Naphthalenecarboxylicacid, 2-(4-methoxybenzoyl)hydrazide
(3-((5-Ethoxy-5-oxopentyl)oxy)-2,4,6-trifluorophenyl)boronic acid
1,1-[[2-(Chloromethoxy)-1,3-propanediyl]bis(oxymethylene)]bisbenzene
(methacryloxymethyl)bis(trimethylsiloxy)methylsilane
[4-(4-chloro-phenyl)-piperazin-1-yl]-furan-2-yl-acetic acid
Timepidium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Tert-Butyl {2-[(1,3-Thiazol-2-Ylamino)carbonyl]pyridin-3-Yl}carbamate
Tropisetron hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin 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 Tropisetron Hydrochloride (SDZ-ICS-930) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM Target: 5-HT3 receptor; α7-nicotinic receptor in vitro: Retinal ganglion cells(RGCs) pretreated with 100 nM tropisetron before glutamate increased cell survival to an average of 105\% compared to controls. Inhibition studies using the alpha7 nAChR antagonist, MLA (10 nM), support the hypothesis that tropisetron is an effective neuroprotective agent against glutamate-induced excitotoxicity; mediated by α7 nAChR activation. Tropisetron had no discernible effects on pAkt levels but significantly decreased p38 MAPK levels associated with excitotoxicity from an average of 15 ng/ml to 6 ng/ml [2]. Tropisetron, but not granisetron, significantly inhibits the phosphatase activity of calcineurin, over-expresses the CB(1) receptors at both transcriptional and protein levels, and reduces cAMP content in cerebellar granule neurons (CGNs) [4]. in vivo: Animals were treated intracerebroventricularly with tropisetron, mCPBG (selective 5-HT3 receptor agonist) or mCPBG plus tropisetron on days 1, 3, 5 and 7. Tropisetron significantly diminished the elevated levels of these markers and reversed the cognitive deficit. Interestingly, tropisetron was also found to be a potent inhibitor of calcineurin phosphatase activity [1]. tropisetron (5mg/kg/day) plus mCPBG (10mg/kg/day), and granisetron (5mg/kg/day) intraperitoneally on days 3-35 post-immunization. Treatment with tropisetron and granisetron markedly suppressed the clinical symptoms of EAE (p<0.001) and reduced leukocyte infiltration as well as demyelination in the spinal cord (p<0.05) [3].
1,2-Bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid tert-butylamide
2-[(6-Butoxypyridin-3-yl)amino]-4-chlorobenzoic acid
2-[[6-Amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
5-[2-Furanyl(4-morpholinyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
5-Hydroxy-8,8-dimethyl-4-phenylpyrano[2,3-h]chromen-2-one
N-[2-(4-Amino-5,8-difluoro-1,2-dihydroquinazolin-2-YL)ethyl]-3-furamide
6-[5-(4-fluorophenoxy)pyridin-3-yl]-1H-benzimidazol-2-amine
(1s,2r)-1-(4-Hydroxy-3-Methoxyphenyl)-2-(2-Methoxyphenoxy)propane-1,3-Diol
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate
[4-(6-Methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate
A butenolide that is (5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4.
[(3S,4R)-4-(octanoyl)-5-oxooxolan-3-yl]methyl phosphate
(4-octanoyl-5-oxo-2H-furan-3-yl)methyl dihydrogen phosphate
(2R,3S,5R)-2-(5-Amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
N-[4-[(N-methylanilino)-oxomethyl]phenyl]-2-furancarboxamide
N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
3-(4-chlorophenyl)-6-(4-methyl-1-piperazinyl)-1H-pyrimidine-2,4-dione
3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester
5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester
3-Benzyl-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
2-oxo-4-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile
1-(2-Methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone
6-[5-[[2-(4-Morpholinyl)-2-oxoethyl]thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone
1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulonamide
1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide
N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydron;chloride
4-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
(5Z)-3-(benzyliminomethyl)-5-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,4-dione
5-Hydroxy-8-(2-hydroxypropan-2-yl)-4-(1-hydroxypropyl)-8,9-dihydrouro[2,3-h]chromen-2-one
(2S)-2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-(2-aminoethylamino)-2-hydroxy-4-oxobutanoic acid
enoxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-)
A [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate; major species at pH 7.3.
tetrodotoxin(1+)
An iminium ion resulting from the protonation of the imine group of tetrodotoxin; major species at pH 7.3.
(3s,3ar,4s,9as,9br)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(2z)-2-[(2,5-dihydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]but-2-enedinitrile
18-hydroxy-7-methoxy-16-methyl-10-oxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-2-one
(9r,11as)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
2-(3-methanesulfinylnona-1,3-dien-5,7-diyn-1-yl)oxan-3-yl acetate
4-[(3s)-3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propyl]-6-methoxybenzene-1,3-diol
2-[(2e)-2,3-diisocyano-4-(4-methoxyphenyl)but-2-en-1-yl]benzene-1,4-diol
[(1s,4r,6r,9z,11r)-4-formyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-9-yl]methyl acetate
(1r,2r,3r,6s,8e,11s)-3,8-dimethyl-4,13-dioxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-8,12(15)-dien-11-yl acetate
3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
{6-formyl-4-hydroxy-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methyl acetate
(1s,2s,4r,5r,6r,9r)-12-ethyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.6.1.0²,⁴.0⁶,¹⁶.0¹¹,¹⁵]hexadec-11(15)-ene-7,14-dione
methyl 2-{[5-(2-hydroxypropan-2-yl)-2-oxooxolan-3-ylidene](methoxy)methyl}benzoate
3,9-dihydroxy-5-methoxy-4-phenyl-2,3-dihydrophenalen-1-one
(1r,2s,6r,7s,10s,12r,14s)-10-hydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl acetate
2-(3,4-dihydroxyphenyl)ethyl (3s,4e)-4-formyl-3-(2-oxoethyl)hex-4-enoate
(2s,3r)-2-[(1e,3e)-3-[(r)-methanesulfinyl]nona-1,3-dien-5,7-diyn-1-yl]oxan-3-yl acetate
[(9s,11as)-9-hydroxy-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
2-(2,8-dihydroxy-8,8a-dimethyl-3,7-dioxo-1h-naphthalen-2-yl)prop-2-en-1-yl acetate
4-(acetyloxy)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
{9-hydroxy-10-methyl-6-methylidene-2,7-dioxo-4h,5h,8h,9h,11ah-cyclodeca[b]furan-3-yl}methyl acetate
3-methoxy-2-(4-methoxyphenyl)-5-phenylcyclohexa-2,5-diene-1,4-dione
(3as,4s,5ar,9r,9as,9br)-9-hydroxy-5a,9-dimethyl-3-methylidene-2,6-dioxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-4-yl acetate
(1r,6s,8r,9r,12s,15s)-3,15-dimethyl-4,13-dioxo-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadec-2-en-9-yl acetate
(1r,2s,6s,7e,11s)-11-ethoxy-8-(hydroxymethyl)-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
8-hydroxy-2,3,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-5-one
(3ar,4s,6as,9ar,9bs)-6a-hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
4-hydroxy-5-[(8-hydroxynaphthalen-1-yl)oxy]-3,4-dihydro-2h-naphthalen-1-one
{4-formyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-9-yl}methyl acetate
(1r,2r,10s,13r,16s)-5,8,16-trihydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.0²,¹³.0⁴,⁹]hexadeca-4,6,8-trien-3-one
3-[(1e)-2-{4'-hydroxy-5-methoxy-[1,1'-biphenyl]-2-yl}ethenyl]pyran-2-one
(4s,6r)-6-[3-(2h-1,3-benzodioxol-5-yl)propyl]-4,6-dihydroxy-3-methoxycyclohex-2-en-1-one
6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
3-o-deacetyl-9-o-acetylsalograviolide a
{"Ingredient_id": "HBIN009308","Ingredient_name": "3-o-deacetyl-9-o-acetylsalograviolide a","Alias": "NA","Ingredient_formula": "C17H20O6","Ingredient_Smile": "CC(=O)OC1C(C2C(C3C(C1=C)CC(C3=C)O)OC(=O)C2=C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-acetoxy-8,10-epoxy-6-hydroxythymol 3-O-angelate
{"Ingredient_id": "HBIN014031","Ingredient_name": "9-acetoxy-8,10-epoxy-6-hydroxythymol 3-O-angelate","Alias": "9-acetoxy-8,10-epoxy-6-hydroxythymol3-o-angelate","Ingredient_formula": "C17H20O6","Ingredient_Smile": "Not Available","Ingredient_weight": "320.37","OB_score": "61.44265872","CAS_id": "NA","SymMap_id": "SMIT01008","TCMID_id": "186","TCMSP_id": "MOL000588","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
