Exact Mass: 321.1495
Exact Mass Matches: 321.1495
Found 500 metabolites which its exact mass value is equals to given mass value 321.1495,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acronine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product An alkaloid antineoplastic agent isolated from Acronychia baueri. D000970 - Antineoplastic Agents C1907 - Drug, Natural Product Same as: D02378
Pyriproxyfen
CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10357; ORIGINAL_PRECURSOR_SCAN_NO 10352 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10314; ORIGINAL_PRECURSOR_SCAN_NO 10312 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10325; ORIGINAL_PRECURSOR_SCAN_NO 10324 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10287; ORIGINAL_PRECURSOR_SCAN_NO 10284 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10340; ORIGINAL_PRECURSOR_SCAN_NO 10338 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10362; ORIGINAL_PRECURSOR_SCAN_NO 10360 CONFIDENCE standard compound; INTERNAL_ID 2633 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
famciclovir
2-Amino-9H-purine in which the hydrogen at position 9 is substituted by a 4-acetoxy-3-(acetoxymethyl)but-1-yl group. A prodrug of the antiviral penciclovir, it is used for the treatment of acute herpes zoster (shingles), for the treatment or suppression of recurrent genital herpes in immunocompetent patients and for the treatment of recurrent mucocutaneous herpes simplex infections in HIV infected patients. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Famciclovir (BRL 42810) is an orally active nucleoside analogue. Famciclovir is an antiviral agent with potent activities against HBV, HSV and VZV. Famciclovir can be used for the research of herpesvirus infection[1].
Famciclovir
Famciclovir is a guanine analogue antiviral drug used for the treatment of various herpes virus infections, most commonly for herpes zoster (shingles). It is a prodrug form of penciclovir with improved oral bioavailability. Famciclovir is marketed under the trade name Famvir (Novartis). J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Famciclovir (BRL 42810) is an orally active nucleoside analogue. Famciclovir is an antiviral agent with potent activities against HBV, HSV and VZV. Famciclovir can be used for the research of herpesvirus infection[1].
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is found in herbs and spices. 2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is an alkaloid from Ruta graveolens (rue
Cepharadione B
Cepharadione B is found in herbs and spices. Cepharadione B is an alkaloid from the woody roots of Piper auritum (Veracruz pepper
Arginylphenylalanine
Arginylphenylalanine is a dipeptide composed of arginine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Phenylalanylarginine
Phenylalanylarginine is a dipeptide composed of phenylalanine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
S-Glutaryldihydrolipoamide
S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide. succinyltransferase) [EC:2.3.1.61]. S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide
Niazirinin
Niazirinin is a nitrile glycoside that has been isolated from the leaves of Moringa oleifera (horseradish tree). Niazirin is found in brassicas. Constituent of the leaves of the horseradish tree (Moringa oleifera, Moringaceae). Niazirinin is found in brassicas.
N-desmethylalmotriptan
N-desmethylalmotriptan is a metabolite of almotriptan. Almotriptan, is a triptan drug discovered and developed by Almirall for the treatment of heavy migraine headache. It is available in 12.5 mg in most countries and also 6.25 mg in US and Canada. (Wikipedia)
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
(2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is an acylcarnitine. More specifically, it is an (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-[[3-Methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
Carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
N-Methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
Gabexate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
5-((1-Ethyl-4-piperidinyl)oxy)-9H-pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Impromidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists
(2S)-2-(2-Benzamidoethylamino)-5-(diaminomethylideneamino)pentanoic acid
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
indole-3-acetyl-phenylalanine
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
Menisporphine
Menisporphine is a natural product found in Menispermum dauricum with data available.
Pyriproxyfen
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
RCS-4
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists
N-Benzyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)urea
gabexate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Dehydrohistidyl-tryptophanyl-diketopiperazine
CONFIDENCE Penicillium bissettii
6-O-beta-D-glucopyranosyl-1,2,3-trideoxy-1-C-ethyl-beta-galactonojirimycin
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylbenzamide
3-(2,3-Dihydroxy-3-methylbutyl)-4,7-dimethoxy-1-methyl-1H-quinoline-2-one
7-methyl-6,7-dihydro-5H-bis([1,3]dioxolo[4,5:4,5]benzo)[1,2,3-de;1,2-g]quinoline|Aporphin|Dehydroneolitsine
(E)-L-alpha-glutamyl-N-[2-(4-hydroxyphenyl)ethenyl]glycinamide|(S)-(E)-form-Glutamylglycyl-4-hydroxystyrylamine|L-Glu-Gly-4-hydroxystyrylamine
(-)-sessilifoliamide J|(?)-sessilifoliamide J|sessilifoliamide J
(5beta,15R)-15-hydroxy-15-methyl-8-oxolycopodan-5-yl acetate|obscurumine G
(3-endo,8-anti)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3,5-dimethoxybenzoate|pungencine
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based: Match]
1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-
Arg-phe
A dipeptide formed from L-arginine and L-phenylalanine residues. It exhibits vasorelaxant activity.
Phe-arg
A dipeptide composed of L-phenylalanine and L-arginine joined by a peptide linkage.
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
3-Hydroxy-N-(1-hydroxy-4-methyl-2-pentanyl)-5-oxo-6-phenylhexanamide
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
(z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
Arginine glutamate
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05B - Liver therapy, lipotropics > A05BA - Liver therapy L-Arginine L-glutamate ((S)-(+)-Arginine L-glutamate) is the nitrogen donor for synthesis of nitric oxide. L-Arginine L-glutamate can be used for upper gastrointestinal hypofunction or dysfunction like functional dyspepsia research[1]. L-Arginine L-glutamate ((S)-(+)-Arginine L-glutamate) is the nitrogen donor for synthesis of nitric oxide. L-Arginine L-glutamate can be used for upper gastrointestinal hypofunction or dysfunction like functional dyspepsia research[1].
N-BOC-BETA-ALANINE-BETA-4-METHOXYPHENYL-N-CARBOXYANHYDRIDE
DIETHYL 6-ACETYL-5,6-DIHYDROPYRIDO[3,4-B]PYRAZINE-7,7(8H)-DICARBOXYLATE
hydromorphone hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
BENZYL 2-BENZYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
(3-BOC-AMINO-PIPERIDIN-1-YL)-THIOPHEN-3-YL-ACETICACID
(dimethyl)[10H-pyrido[3,2-b][1,4]benzothiazine-10-propyl]ammonium chloride
(9H-FLUOREN-9-YL)METHYL-3-OXOPIPERIDINE-1-CARBOXYLATE
2-(2-(4-AMINOPIPERIDIN-1-YL)-2-PHENYLETHOXY)BENZONITRILE
(6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)-5-METHYLPYRIDIN-3-YL)BORONIC ACID
Methyl 4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate
3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
4-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]oxy}benzoic acid
tert-butyl 2-amino-3-(4-methoxy-3,4-dioxobutanoyl)benzoate
2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
6-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
2-BOC-AMINO-6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate
N,N-DIMETHYL-N-(1-HEXYL)-N-(2-[METHACRYLOYL]ETHYL)AMMONIUM BROMIDE
4-(4-nitrobenzoyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy
1-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine
3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
4-chloro-N-(2-hydroxyethyl)-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]benzamide
4-(5-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(3-BOC-AMINO-PIPERIDIN-1-YL)-THIOPHEN-2-YL-ACETICACID
4-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
2-(tert-Butoxycarbonylamino)pyrimidine-5-boronic acid pinacol ester
1H-Indole-2-propanoic acid, 3-[(1,1-dimethylethyl)thio]-5-methoxy-methyl ester
4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Tazofelone
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
8-METHYL-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINEHYDROCHLORIDE
(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid
Isothipendyl hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
TERT-BUTYL 4-(3-NITROBENZYL)PIPERAZINE-1-CARBOXYLATE
1-benzyl-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine
4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline
TRANS-1-BOC-3-CARBOXY-4-(4-METHOXYPHENYL)PYRROLIDINE
6-Amino-1-isopropyl-4-(4-isopropylphenyl)-2(1H)-quinazolinone
3-AMINO-6-((DIBENZYLAMINO)METHYL)-1,2,4-TRIAZIN-5(2H)-ONE
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
3-(2-(1,3-DIOXOLAN-2-YL)ETHYL)-7,8-DIMETHOXY-4,5-DIHYDRO-1H-BENZO[D]AZEPIN-2(3H)-ONE
N-[(2-HYDROXY-NAPHTHALEN-1-YL)-(4-METHOXY-PHENYL)-METHYL]-ACETAMIDE
(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate
TERT-BUTYL4-(2-NITROPHENYLAMINO)PIPERIDINE-1-CARBOXYLATE
tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethylcarbamate
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
4-methoxy-3-(3-morpholinopropoxy)-2-nitrobenzonitrile
Pentazocine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002491 - Central Nervous System Agents > D000700 - Analgesics
N,N-Diethyl-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Methyl 2-(Boc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetate
4-(2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide
4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
4-(3-carboxy-pyridin-2-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid
tert-Butyl (1-(2-nitrophenyl)piperidin-4-yl)carbamate
tert-butyl 4-(2-methyl-4-nitrophenyl)piperazine-1-carboxylate
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Ampreloxetine
C78272 - Agent Affecting Nervous System Ampreloxetine (TD-9855) is a potent and orally active norepinephrine (NE) and serotonin 5-HT inhibitor. Ampreloxetine has the potential for the research of neurogenic orthostatic hypotension[1][2].
Tivirapine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
9-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
4,5,6,7-Tetrahydro-3-((3-methoxy-5-(1H-pyrrol-2-yl)2H-pyrrol-2-ylidene)methyl)-1,4-dimethyl-2H-isoindole
(E)-1-(2-hydroxyphenyl)-3-((1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one
N-[5-(2-phenylethyl)-1,3,5-triazinan-2-ylidene]-1,3-benzoxazol-2-amine
(Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-phenylallylidene)benzofuran-3(2H)-one
N-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]furan-2-carboxamide
6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
1-[(1,3-Benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one
N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
6-(3-Aminopropyl)-4,9-dimethylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
3-({2-[(2-Amino-6-methylpyrimidin-4-YL)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}hexopyranose
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
2-Amino-3-(2,2-dimethylpropyl)-5,5-diphenylimidazol-4-one
N-Methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
indole-3-acetyl-phenylalanine
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
N-[(R)-pantothenoyl]-L-cysteinate
Conjugate base of N-[(R)-pantothenoyl]-L-cysteine.
5-Methyl-9-(3-methylbut-2-enyl)-7-oxophenazine-1-carboxylate
[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanone
2,4-Diamino-6-methyl-5,3-(3-nitrophenoxy)prop-1-yloxypyrimidine
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol
(2S)-2-(2-Benzamidoethylamino)-5-(diaminomethylideneamino)pentanoic acid
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
morphine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione
4-[1-[(3-Methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
1-[2-(Hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
5-{[5-(diethylamino)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide
2-amino-3-cyano-7-(dimethylamino)-4-(2-methoxyphenyl)-4H-chromene
(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid
3-[[Oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
N-(2-acetylphenyl)-2-(2-oxo-1-quinoxalinyl)acetamide
2-[[(1-Propan-2-yl-2-benzimidazolyl)amino]methyl]-6-prop-2-enylphenol
N(6)-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
A D-lysine derivative in which D-lysine is substituted on N(6) by a (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl group.
N-[3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2-furancarboxamide
5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide
1-[2-(3,4-Dimethoxyphenyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-benzofurancarboxamide
1-(2,5-Dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1-phthalazinyloxy)ethanone
3-[4-[(2-Hydroxy-5-phenylphenyl)methyl]-1-piperazinyl]propanenitrile
(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydron;chloride
4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamide
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-(7-chloro-2-methyl-4-thiazolo[5,4-b]indolyl)-N,N-diethylethanamine
methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate
N-{5-fluoro-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
1,3-Bis[4-(dimethylamino)phenyl]-2,4-dioxylatocyclobutene-3,4-diylium
2-[(1R,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
4-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
(3S,4S)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one
(3R,4R)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one
4-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one
N-[[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]formamide
N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-4-methyl-5-isoquinolinesulfonamide
4-[(5-Methylpyrazolidin-3-YL)amino]-2-phenylphthalazin-1-one
4-methyl-5-[(2S)-2-methyl-1,4-diazepan-4-ium-1-sulfonyl]isoquinolin-2-ium
N-[[1-(1,2-difluoroethyl)triazol-4-yl]methyl]-N-(2-fluoroethyl)pentanediamide
(3E)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
CM10
CM10 is a potent and selective aldehyde dehydrogenase 1A (ALDH1A) family inhibitor, with IC50s of 1700, 740, and 640 nM for ALDH1A1, ALDH1A2, and ALDH1A3, respectively. CM10 does not inhibit any of the other ALDH family members. CM10 can regulate metabolism and has anti-cancer activity[1].
CMS-121
CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities[1][2][3].
n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-4-methylpent-2-enamide
(1s,2s,3s,10s,13s,15r)-2-hydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-3-yl acetate
5-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6-methylidene-1h-pyrazin-2-one
(3z)-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6-methylidenepyrazine-2,5-diol
n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-4-methylpent-3-enamide
(1s,3e,5r)-3-[2-(2-hydroxy-6-oxo-4,5-dihydro-3h-pyridin-4-yl)ethylidene]-1,5-dimethyl-4-oxocyclohexyl acetate
(4s)-4-amino-4-[({[(1e)-2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid
n-[2-hydroxy-1-(5-hydroxy-6-methyloxan-2-yl)pyrimidin-4-ylidene]-4-methylpent-3-enamide
(1s,4s)-4-benzyl-1,3-dihydroxy-1h,4h-pyrazino[2,1-b]quinazolin-6-one
3-[2-(dimethylamino)phenyl]-3-hydroxy-1h,2h-pyrrolo[2,1-b]quinazolin-9-one
(1r,4e)-4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
[(3s)-3,5-dimethyl-11h-pyrano[3,2-a]carbazol-3-yl]methyl acetate
10-{[2-(4-hydroxyphenyl)ethyl]imino}-7-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-trien-11-one
(5r)-5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11(17)-ene-3,8-dione
{3,5-dimethyl-11h-pyrano[3,2-a]carbazol-3-yl}methyl acetate
(2r,3s,4r,5r)-2-{[(1s,2r,3r,4s,6r)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
2-[4(3,4-methylenedioxyphenyl)butyl]-4-quinolone
{"Ingredient_id": "HBIN004204","Ingredient_name": "2-[4(3,4-methylenedioxyphenyl)butyl]-4-quinolone","Alias": "NA","Ingredient_formula": "C20H19NO3","Ingredient_Smile": "C1OC2=C(O1)C=C(C=C2)CCCCC3=CC(=O)C4=CC=CC=C4N3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14372","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,3'-bis(indolylmethyl)dimethyl ammonium hydroxide
{"Ingredient_id": "HBIN007160","Ingredient_name": "3,3'-bis(indolylmethyl)dimethyl ammonium hydroxide","Alias": "3,3'-bis(indolylmethyl)dimethyl ammoniumhydroxide","Ingredient_formula": "C20H23N3O","Ingredient_Smile": "C[N+](C)(CC1=CNC2=CC=CC=C21)CC3=CNC4=CC=CC=C43.[OH-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30672;2472","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-angeloyl-9-(2-methylbutyryl)heliotridine
{"Ingredient_id": "HBIN013050","Ingredient_name": "7-angeloyl-9-(2-methylbutyryl)heliotridine","Alias": "NA","Ingredient_formula": "C18H27NO4","Ingredient_Smile": "CCC(C)C(=O)OCC1=CCN2C1C(CC2)OC(=O)C(=CC)C","Ingredient_weight": "321.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37196","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91748012","DrugBank_id": "NA"}
