Exact Mass: 329.1072
Exact Mass Matches: 329.1072
Found 447 metabolites which its exact mass value is equals to given mass value 329.1072,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
griffonin
Lithospermoside is a glycoside. Lithospermoside is a natural product found in Tylosema fassoglense, Semiaquilegia adoxoides, and other organisms with data available. Lithospermoside (Griffonin) is a nature product isolated from the stem bark of Semiaquilegia adoxoides [1]. Lithospermoside (Griffonin) is a nature product isolated from the stem bark of Semiaquilegia adoxoides [1].
Epoxiconazole
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9422; ORIGINAL_PRECURSOR_SCAN_NO 9420 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9436; ORIGINAL_PRECURSOR_SCAN_NO 9433 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9461; ORIGINAL_PRECURSOR_SCAN_NO 9459 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9474; ORIGINAL_PRECURSOR_SCAN_NO 9472 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9444 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9488; ORIGINAL_PRECURSOR_SCAN_NO 9486 CONFIDENCE standard compound; INTERNAL_ID 2574 CONFIDENCE standard compound; INTERNAL_ID 8407 CONFIDENCE standard compound; EAWAG_UCHEM_ID 95
Fluridone
CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8814; ORIGINAL_PRECURSOR_SCAN_NO 8813 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8806; ORIGINAL_PRECURSOR_SCAN_NO 8805 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8777; ORIGINAL_PRECURSOR_SCAN_NO 8775 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8752; ORIGINAL_PRECURSOR_SCAN_NO 8747 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8718; ORIGINAL_PRECURSOR_SCAN_NO 8717 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Paroxetine
Paroxetine hydrochloride and paroxetine mesylate belong to a class of antidepressant agents known as selective serotonin-reuptake inhibitors (SSRIs). Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT1A and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that leads to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction and headache (see Toxicity section below for a complete listing of side effects). Side effects generally occur during the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Paroxetine hydrochloride and mesylate are considered therapeutic alternatives rather than generic equivalents by the US Food and Drug Administration (FDA); both agents contain the same active moiety (i.e. paroxetine), but are formulated as different salt forms. Clinical studies establishing the efficacy of paroxetine in various conditions were performed using paroxetine hydrochloride. Since both agents contain the same active moiety, the clinical efficacy of both agents is thought to be similar. Paroxetine may be used to treat major depressive disorder (MDD), panic disorder with or without agoraphobia, obsessive-compulsive disorder (OCD), social anxiety disorder (social phobia), generalized anxiety disorder (GAD), post-traumatic stress disorder (PTSD) and premenstrual dysphoric disorder (PMDD). Paroxetine has the most evidence supporting its use for anxiety-related disorders of the SSRIs. It has the greatest anticholinergic activity of the agents in this class and compared to other SSRIs, paroxetine may cause greater weight gain, sexual dysfunction, sedation and constipation. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent CONFIDENCE standard compound; INTERNAL_ID 8555 CONFIDENCE standard compound; INTERNAL_ID 1526 D049990 - Membrane Transport Modulators Paroxetine, a phenylpiperidine derivative, is a potent and selective serotonin reuptake inhibitor (SSRI). Paroxetine is a very weak inhibitor of norepinephrine (NE) uptake but it is still more potent at this site than the other SSRIs[1].
Desulfoglucotropeolin
A aralkylglucosinolate consisting of glucotropeolin lacking the oxime O-sulfo group.
N-trans-Feruloyloctopamine
N-trans-Feruloyloctopamine is a member of methoxybenzenes and a member of phenols. N-trans-Feruloyloctopamine is a natural product found in Capnoides sempervirens and Allium sativum with data available. Constituent of roots of bell pepper (Capsicum annuum variety grossum). N-trans-Feruloyloctopamine is found in many foods, some of which are yellow bell pepper, potato, red bell pepper, and eggplant. N-trans-Feruloyloctopamine is found in eggplant. N-trans-Feruloyloctopamine is a constituent of roots of bell pepper (Capsicum annuum var. grossum). N-Feruloyloctopamine is an antioxidant constituent. N-Feruloyloctopamine significantly decreases the?phosphorylation?levels of Akt and p38?MAPK[1]. N-Feruloyloctopamine is an antioxidant constituent. N-Feruloyloctopamine significantly decreases the?phosphorylation?levels of Akt and p38?MAPK[1]. N-Feruloyloctopamine is an antioxidant constituent. N-Feruloyloctopamine significantly decreases the?phosphorylation?levels of Akt and p38?MAPK[1].
(Z)-N-Feruloyl-5-hydroxyanthranilic acid
Avenanthramide b is a member of the class of compounds known as avenanthramides. Avenanthramides are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid. Avenanthramide b is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Avenanthramide b can be found in cereals and cereal products, which makes avenanthramide b a potential biomarker for the consumption of this food product. (Z)-N-Feruloyl-5-hydroxyanthranilic acid is found in cereals and cereal products. (Z)-N-Feruloyl-5-hydroxyanthranilic acid is isolated from oats (Avena sativa).
Dopamine glucuronide
Dopamine glucuronide is a natural human metabolite of Dopamine generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Dopamine glucuronide is a natural human metabolite of Dopamine generated in the liver by UDP glucuonyltransferase.
7-Hydroxyamoxapine
7-Hydroxyamoxapine is a metabolite of amoxapine. Amoxapine (Amokisan, Asendin, Asendis, Defanyl, Demolox, Moxadil) is a tetracyclic antidepressant of the dibenzoxazepine family, though it is often classified as a secondary amine tricyclic antidepressant. It is the N-demethylated metabolite of Loxapine. (Wikipedia)
8-Hydroxyamoxapine
8-Hydroxyamoxapine is a metabolite of amoxapine. Amoxapine (Amokisan, Asendin, Asendis, Defanyl, Demolox, Moxadil) is a tetracyclic antidepressant of the dibenzoxazepine family, though it is often classified as a secondary amine tricyclic antidepressant. It is the N-demethylated metabolite of Loxapine. (Wikipedia)
N-(2-Hydroxyphenyl)acetamide glucuronide
(2R,3S)-Epoxiconazole
D016573 - Agrochemicals D010575 - Pesticides
5-(Acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazole-6,7-diyl diacetate
Anthramycin methyl ether
L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
6-Chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Metolachlor esa
CONFIDENCE standard compound; INTERNAL_ID 8686 CONFIDENCE standard compound; INTERNAL_ID 4054 CONFIDENCE standard compound; EAWAG_UCHEM_ID 502
2-(4-methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
N,N-dimethyl-N-[5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazol-2-yl]methanimidamide
Metolachlor-TP NOA413173
CONFIDENCE standard compound; UCHEM_ID 4179 UCHEM_ID 4179; CONFIDENCE standard compound
(6aR,10bR)-4-methoxy-5-methyl-1,2,3,5,6,6a-hexahydro-[1,3]dioxolo[4,5:6,7]isochromeno[3,4-c]indol-8-one
1-(3-amino-4,5,6-trihydroxyoxan-2-yl)hexane-1,2,3,4,5,6-hexol
2-(4,10-dimethoxy-1,3-dihydro-difuro[2,3-b;3,4-f]quinolin-1-yl)-propan-2-ol|Choisyine
5alpha-Methoxy-1-methyl-9,10-methylendioxy-lycoran-4(12)-en-7-on|5alpha-methoxy-9,10-methanediyldioxy-1-methyl-lycoran-4(12)-en-7-one|Nivalin|nivaline|nivaline (Galanthus)|O-methyl-hippeastrine|Ungerin|Ungerine
10H-2a,9,10-Triaza-13-thia-13H-benzo[fg]cyclopenta[op]naphthacene-11(12H)-one
(E)-4-(6-(3,4-dihydroxystyryl)-4-hydroxy-2-oxo-2H-pyran-3-yl)pyrrolidin-2-one|phaeolschidin E
(E)-N-(2-hydroxy-2-(4-hydroxyphenyl)ethyl)-3-(3-hydroxy-4-methoxyphenyl)acrylamide|trans-N-feruloyloctopamine
(7E)-N-(3,4,5-trihydroxyl)phenylethyl-4-methoxy-cinnamamide
11-methoxy-9,10-methanediyldioxy-1-methyl-lycoran-4(12)-en-7-one|Dehydrokrigenamin|Didehydrokrigenamine|Oxokrigenamin|oxokrigenamine
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enamide
O1-(2-carbamoyl-4-hydroxy-phenyl)-beta-D-glucopyranuronic acid|O1-(2-Carbamoyl-4-hydroxy-phenyl)-beta-D-glucopyranuronsaeure
O1-(5-amino-2-carboxy-phenyl)-beta-D-glucopyranuronic acid|O1-(5-Amino-2-carboxy-phenyl)-beta-D-glucopyranuronsaeure
O1-(2-hydroxycarbamoyl-phenyl)-beta-D-glucopyranuronic acid|O1-(2-Hydroxycarbamoyl-phenyl)-beta-D-glucopyranuronsaeure
cloperastine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2`,3`-di-O-acetyl-5`-deoxy-5-fluorocytidin
CONFIDENCE standard compound; INTERNAL_ID 2002
2,3-di-O-acetyl-5-deoxy-5-fluorocytidine
A member of the class of cytidines that is a metabolite of the drug capecitabine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2862 EAWAG_UCHEM_ID 2862; CONFIDENCE standard compound
Paroxetine
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1526 CONFIDENCE standard compound; INTERNAL_ID 4079 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3611 Paroxetine, a phenylpiperidine derivative, is a potent and selective serotonin reuptake inhibitor (SSRI). Paroxetine is a very weak inhibitor of norepinephrine (NE) uptake but it is still more potent at this site than the other SSRIs[1].
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Lycorine-monoacetate
[Raw Data] CBA61_Lycorine-1Ac_pos_50eV.txt [Raw Data] CBA61_Lycorine-1Ac_pos_40eV.txt [Raw Data] CBA61_Lycorine-1Ac_pos_30eV.txt [Raw Data] CBA61_Lycorine-1Ac_pos_20eV.txt [Raw Data] CBA61_Lycorine-1Ac_pos_10eV.txt
ufiprazole
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
Avenanthramide-C methyl ester
Isradipine Metabolite (3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-d
N-Feruloyloctopamine
N-Feruloyloctopamine is an antioxidant constituent. N-Feruloyloctopamine significantly decreases the?phosphorylation?levels of Akt and p38?MAPK[1]. N-Feruloyloctopamine is an antioxidant constituent. N-Feruloyloctopamine significantly decreases the?phosphorylation?levels of Akt and p38?MAPK[1]. N-Feruloyloctopamine is an antioxidant constituent. N-Feruloyloctopamine significantly decreases the?phosphorylation?levels of Akt and p38?MAPK[1].
Avenanthramide b
A monohydroxybenzoic acid resulting from the formal condensation of the carboxy group of ferulic acid with the amino group of 2-amino-5-hydroxybenzoic acid. It is an oat phytoalexin produced in response to pathogen attack and elicitation.
Thiourea,N-(2-methoxyphenyl)-N-(1-methylethyl)-N-[1-(2-pyridinyl)ethyl]-
Sulfamide,N-(6-methoxy-4,5,7-trimethyl-2-benzothiazolyl)-N,N-dimethyl-
2-amino-6-(4-methylphenyl)-3-nitro-4-phenylbenzonitrile
4-(4-DIETHYLAMINOPHENYLIMINO)-1-OXO-1,4-DIHYDRONAPHTHALENE-2-CARBONITRILE
(2S,3S)-2-BENZYLOXY-3,4-O-ISOPROPYLIDENE-BUTAN-1-OL
4-TERT-BUTYL-2-(3-CHLOROPHENYL)-2-(PHENYLETHYL)-MORPHOLINE
N-[benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
Meprotixol
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
CGP 52411
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
9,10-Ethanoanthracene-9(10H)-ethanol,a-[(methylamino)methyl]-,hydrochloride (1:1)
SKF 82958
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
N-CBZ-(2R,3R)-3-AMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID
5-AZIDO-5-DEOXY-3,4-DI-O-ACETYL-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOSE
5-NITRO-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
Tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl)carbamate
tert-butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid
benzene,formaldehyde,methanesulfonamide,1,3,5-triazine-2,4,6-triamine
(3-FLUOROPHENYL)[2-NITRO-4-[(PIPERIDIN-1-YL)METHYL]PHENYL]AMINE
1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
TERT-BUTYL [(1S)-1-(3-BROMO-4-METHOXYPHENYL)ETHYL]CARBAMATE
[diethyl(4-methyl-2-oxo-2H-benzopyran-7-yl)]ammonium hydrogen sulphate
Quipazine maleate
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D012102 - Reproductive Control Agents > D010120 - Oxytocics
dimethyl 4-(4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
ETHYL 4-(4-FLUOROPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
1,1-((phenylazanediyl)bis(4,1-phenylene))diethanone
5-(4-chlorophenyl)-3-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
Etofylline nicotinate
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives
4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, N,N-dimethyl-1-(phenylsulfonyl)-
D-Glutamic acid alpha-T-butyl-delta-benzyl diester hydrochloride
5-METHOXY-1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLIN
1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI)
4-(3,5-DICHLORO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl)acetamide
ISOPROPYL 7-METHYL-5-OXO-8-(TRIFLUOROMETHYL)-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-1-CARBOXYLATE
dimethyl 3-(4-chlorophenyl)-3-(nitromethyl)pentanedioate
3-BROMO-2-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)ANILINE
2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine,hydrochloride
(2S,3R)-3-(((BENZYLOXY)CARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID
ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
1-[1-(benzenesulfonyl)-6-methoxyindol-3-yl]ethanone
[4-(4-amino-2-chloro-phenyl)-piperazin-1-yl]-o-tolyl-methanone
5-[Bis(2-chloroethyl)amino]-2-benzofurancarboxylic acid ethyl ester
(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
(S)-3-(4-Fluoro-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
N,N-diMethyl-3-(6,7,8,9-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)propan-1-aMine dihydrochloride
(R)-3-(4-Fluoro-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
L-Proline, 5-methyl-, ethyl ester, (5S)-, 4-methylbenzenesulfonate (1:1)
5- (4-methoxy-benzyl)-5H,7H-dibenzo[b,d]azepin-6-one
1,2,3-Trimethyl-1-(2-propen-1-yl)-1H-benzo[e]indolium bromide
5-(4-Morpholinylmethyl-d2)-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone-4,4,5-d3
Trans-Methyl 1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl)acetamide
(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate
(S)-3-BENZYL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DIHYDROCHLORIDE
{2-Chloro-6-[(4-methoxybenzyl)oxy]-3-quinolinyl}methanol
METHYL 6-(4-NITROPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
7-[(3-Chlorobenzyl)oxy]-4-[(Methylamino)methyl]-2h-Chromen-2-One
3-Benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid
(E)-3-(4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
Molnupiravir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY C254 - Anti-Infective Agent > C281 - Antiviral Agent > C190794 - SARS-CoV-2 Antiviral Agent D000890 - Anti-Infective Agents > D000998 - Antiviral Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Molnupiravir (EIDD-2801) is an orally bioavailable proagent of the ribonucleoside analog EIDD-1931. Molnupiravir has broad spectrum antiviral activity against influenza virus and multiple coronaviruses, such as SARS-CoV-2, MERS-CoV, SARS-CoV. Molnupiravir has the potential for the research of COVID-19, and seasonal and pandemic influenza[1][2].
3-(4-Chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one
(3-Chloro-benzylidene)-[4-(2-methoxy-phenyl)-piperazin-1-yl]-amine
(3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)(pyrrolidin-1-yl)methanone
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
2-(4-Methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone
2H-Indazole-6-carboxamide, 2-ethyl-3-methoxy-N-[2-(2-thienyl)ethyl]-
N-[5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide
1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose
(S)-2-(N-(2-Ethyl-6-methylphenyl)-2-sulfoacetamido)propanoic acid
2-(3-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
4-({[(4-Methylpiperazin-1-YL)amino]carbonothioyl}amino)benzenesulfonamide
N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
2-(4-Hydroxybiphenyl-3-Yl)-4-Methyl-1h-Isoindole-1,3(2h)-Dione
(3r)-3-[(1,2,3,4-Tetrahydroisoquinolin-7-Yloxy)methyl]-2,3-Dihydrothieno[2,3-F][1,4]oxazepin-5-Amine
4-Acetamido-2,4-didexoy-D-glycero-beta-D-galacto-octopyranosylphosphonic acid (AN axial phosphonate)
5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
3,5-di-O-methyltricetin(1-)
The conjugate base of 3,5-di-O-methyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.
Malvidin(1-)
An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of malvidin; major species at pH 7.3.
(1S,2R,3R,5S,6R,9R)-11-methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylate
(1R,2R,5R,8R,9S,10R,11R,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
5-hydroxy-2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
(3R)-7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrochromen-5-olate
2-(3,4-Dihydroxy-5-methoxyphenyl)-3,7-dihydroxy-5-methoxychromenium
(R)-N-trans-feruloyloctopamine
A member of the class of cinnamamides that is an enamide obtained by the formal condensation of the amino group of (R)-octopamine with the carboxy group of ferulic acid. Isolated from Pisonia aculeata, it exhibits antitubercular activity.
5-benzyl-4-hydroxy-8,9,10,11-tetrahydro-6H-pyrido[3,2,1-jk]carbazol-6-one
5-Amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
(5Z)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
4-[[(4-Acetyloxy-3-methoxyphenyl)-oxomethyl]amino]benzoic acid
1-[1-Naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester
1-[3-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
4-Mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
2-amino-5-(1-benzotriazolyl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
N,N-dimethyl-N-[5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanimidamide
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide
3-(4-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
N-[3-(4-chlorophenyl)-5-oxo-4-pyrazolidinyl]-3-methylbenzamide
3-Ethyl-2-[2-(2-methyl-1H-indol-3-yl)-vinyl]-3H-quinazolin-4-one
N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamide
3-Methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
1-(2,5-Dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
1-(4-Methyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea
2-(4,6-Dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolamine
1-(Cycloheptylideneamino)-3-[2-(trifluoromethyl)phenyl]thiourea
N-[(1,3-benzodioxol-5-ylcarbonyl)oxy]-3-nitrobenzenecarboximidamide
N-(2,3-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
4-Methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester
3,4,5-Trihydroxy-3,7-dimethoxyflavone(1-)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3,4,5-trihydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N2,N2-dimethyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine
N-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline
5-[(3-phenyl-1H-pyrazol-4-yl)methylene]-3-propyl-2-thioxo-1,3-thiazolidin-4-one
(3S,9S,10S)-9-Methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
1-[4-(2,3-Dihydrobenzofuran-5-yl)-2-thiazolyl]-4-piperidinecarboxamide
2-(3,4-dimethylphenyl)-4-(1H-indol-3-ylmethylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
(2R,4S,6E,8E,10E)-1-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione
(1R,3R,6S,7E,10S,12R)-17-hydroxy-3,10,12-trimethyl-16-oxatricyclo[12.2.1.0(1,6)]heptadeca-4,7,14(17)-triene-9,13,15-trione
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-methyl ester
[1-(4-Thieno[2,3-d]pyrimidinyl)-4-piperidinyl]-thiophen-2-ylmethanone
3-Phenyl-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
(5E)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanamide
[(2R,3R,4R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
(2S,3S,4S,5R)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
2-Amino-3-[(3-butanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
[(1S,13S,16S)-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-18-yl] acetate
3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
2,2-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol
rhamnacene-3-olate
A flavonol oxoanion that is the conjugate base of rhamnacene resulting from the deprotonation of the 3-hydroxy group; Major species at pH.7.3.
Mitochonic acid 5
Mitochonic acid 5 binds mitochondria and ameliorates renal tubular and cardiac myocyte damage. Mitochonic acid 5 modulates mitochondrial ATP synthesis. Mitochonic acid 5 binds mitochondria and ameliorates renal tubular and cardiac myocyte damage. Mitochonic acid 5 modulates mitochondrial ATP synthesis.
Valiglurax
Valiglurax (VU0652957) is a potent, orally active and selective mGlu4 positive allosteric modulator with EC50 values of 64.6 nM and 197 nM for hmGlu4/Gqi5 and rmGlu4 GIRK, respectively. Valiglurax is a central nervous system (CNS) penetrant. Valiglurax can be used in research of Parkinson's disease[1].
n-[(1z)-1,4-bis(3,4-dihydroxyphenyl)-3-oxobut-1-en-2-yl]carboximidic acid
7-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-4,6-dimethoxyfuro[2,3-b]quinoline
1-(2,3-dihydroxy-3-methylbutyl)-2,8-dihydroxy-9h-carbazole-3-carbaldehyde
6-[(1e,3e,5e,7e)-8-(3-chloro-1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]-4-methoxypyran-2-one
(2e)-n-[(2r)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
(2e)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol
(1r,13r)-17-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-11-one
2,3- diacetoxyl maytenusone
{"Ingredient_id": "HBIN003960","Ingredient_name": "2,3- diacetoxyl maytenusone","Alias": "NA","Ingredient_formula": "C13H16FN3O6","Ingredient_Smile": "CC1C(C(C(O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42934","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-acetyllycorine
{"Ingredient_id": "HBIN006175","Ingredient_name": "2-o-acetyllycorine","Alias": "NA","Ingredient_formula": "C18H19NO5","Ingredient_Smile": "CC(=O)OC1C=C2CCN3C2C(C1O)C4=CC5=C(C=C4C3)OCO5","Ingredient_weight": "329.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "461","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "25147570","DrugBank_id": "NA"}
