Exact Mass: 329.101166
Exact Mass Matches: 329.101166
Found 475 metabolites which its exact mass value is equals to given mass value 329.101166,
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
C17H13ClFN3O (329.07311300000003)
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
Mecarbam
CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9383; ORIGINAL_PRECURSOR_SCAN_NO 9380 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9374; ORIGINAL_PRECURSOR_SCAN_NO 9371 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9357; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9382; ORIGINAL_PRECURSOR_SCAN_NO 9379 ORIGINAL_ACQUISITION_NO 9383; ORIGINAL_PRECURSOR_SCAN_NO 9380; CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9388; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9353; ORIGINAL_PRECURSOR_SCAN_NO 9349 Mecarbam is an Agricultural insecticide and acaricide with slightly systemic properties
Fluridone
C19H14F3NO (329.10274300000003)
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].
Cyclic AMP
Cyclic amp, also known as camp or adenosine 3,5-cyclic monophosphate, is a member of the class of compounds known as 3,5-cyclic purine nucleotides. 3,5-cyclic purine nucleotides are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Cyclic amp is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cyclic amp can be found in a number of food items such as green vegetables, java plum, borage, and wakame, which makes cyclic amp a potential biomarker for the consumption of these food products. Cyclic amp can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout all human tissues. Cyclic amp exists in all living species, ranging from bacteria to humans. In humans, cyclic amp is involved in several metabolic pathways, some of which include dopamine activation of neurological reward system, excitatory neural signalling through 5-HTR 4 and serotonin, intracellular signalling through PGD2 receptor and prostaglandin D2, and thioguanine action pathway. Cyclic amp is also involved in several metabolic disorders, some of which include adenosine deaminase deficiency, gout or kelley-seegmiller syndrome, purine nucleoside phosphorylase deficiency, and adenine phosphoribosyltransferase deficiency (APRT). Moreover, cyclic amp is found to be associated with chronic renal failure, headache, meningitis, and hypoxic-ischemic encephalopathy. Cyclic adenosine monophosphate (cAMP, cyclic AMP, or 3,5-cyclic adenosine monophosphate) is a second messenger important in many biological processes. cAMP is a derivative of adenosine triphosphate (ATP) and used for intracellular signal transduction in many different organisms, conveying the cAMP-dependent pathway. It should not be confused with 5-AMP-activated protein kinase (AMP-activated protein kinase) . Cyclic AMP (cAMP) or cyclic adenosine monophosphate is an adenine nucleotide containing one phosphate group which is esterified to both the 3- and 5-positions of the sugar moiety. cAMP is found in all organisms ranging from bacteria to plants to animals. In humans and other mammals it is a second messenger and a key intracellular regulator, functioning as a mediator of activity for a number of hormones, including epinephrine, glucagon and ACTH. cAMP is synthesized from ATP by adenylate cyclase. Adenylate cyclase is located at the inner side of cell membranes. Adenylate cyclase is activated by the hormones glucagon and adrenaline and by G protein. Liver adenylate cyclase responds more strongly to glucagon, and muscle adenylate cyclase responds more strongly to adrenaline. cAMP decomposition into AMP is catalyzed by the enzyme phosphodiesterase. cAMP is primarily used for intracellular signal transduction, such as transferring into cells the effects of hormones like glucagon and adrenaline, which cannot pass through the plasma membrane. cAMP is also involved in the activation of protein kinases. In addition, cAMP binds to and regulates the function of ion channels such as the HCN channels. Hyperpolarization-activated cyclic nucleotide–gated (HCN) channels are integral membrane proteins that serve as nonselective voltage-gated cation channels in the plasma membranes of heart and brain cells. HCN channels are sometimes referred to as pacemaker channels because they help to generate rhythmic activity within groups of heart and brain cells. [Spectral] 3,5-Cyclic AMP (exact mass = 329.05252) and Guanosine (exact mass = 283.09167) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3].
Desulfoglucotropeolin
A aralkylglucosinolate consisting of glucotropeolin lacking the oxime O-sulfo group.
Cypendazole
C16H19N5O3 (329.14878239999996)
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
C17H16ClN3O2 (329.09309859999996)
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
C17H16ClN3O2 (329.09309859999996)
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
C17H13ClFN3O (329.07311300000003)
D016573 - Agrochemicals D010575 - Pesticides
5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
5-(Acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazole-6,7-diyl diacetate
5-(2-Chlorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
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
C19H20ClNO2 (329.11824900000005)
Evodine
Evodine is a natural product found in Haplophyllum ramosissimum, Skimmia reevesiana, and other organisms with data available.
Metolachlor esa
CONFIDENCE standard compound; INTERNAL_ID 8686 CONFIDENCE standard compound; INTERNAL_ID 4054 CONFIDENCE standard compound; EAWAG_UCHEM_ID 502
2,3-Di-O-acetyl-5-deoxy-5-fuluro-D-cytidine
C13H16FN3O6 (329.10230879999995)
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
2-Amino-6-[3-hydroxy-4-(phosphonooxy)-1-butenyl]-4-(1H)-pteridinone
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
Diphenylmethylene-Glycine benzyl ester
C22H19NO2 (329.14157140000003)
2`,3`-di-O-acetyl-5`-deoxy-5-fluorocytidin
C13H16FN3O6 (329.10230879999995)
CONFIDENCE standard compound; INTERNAL_ID 2002
2,3-di-O-acetyl-5-deoxy-5-fluorocytidine
C13H16FN3O6 (329.10230879999995)
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].
cyclic amp
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 127 Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3].
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Epoxiconazole (EP)
C17H13ClFN3O (329.07311300000003)
CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2200
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
3,5-Cyclic AMP
A 3,5-cyclic purine nucleotide having having adenine as the nucleobase.
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
2,3-cyclic AMP
Adenosine 2,3-cyclic phosphate is part of the purine metabolism pathway. In this pathway, 2,3-cyclic AMP is reversibly converted to 3-AMP via the enzyme 2,3-cyclic-nucleotide 2-phosphodiesterase (EC 3.1.4.16). (KEGG) [HMDB]
ufiprazole
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
Benzyl N-(diphenylmethylene)glycinate
C22H19NO2 (329.14157140000003)
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.
Sulfamide,N-(6-methoxy-4,5,7-trimethyl-2-benzothiazolyl)-N,N-dimethyl-
2-amino-6-(4-methylphenyl)-3-nitro-4-phenylbenzonitrile
(2S,3S)-2-BENZYLOXY-3,4-O-ISOPROPYLIDENE-BUTAN-1-OL
N-[benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
Indoxole
C22H19NO2 (329.14157140000003)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
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-(2-Diisopanoxyphosphonylmethoxyethyl)adenine
C12H20N5O4P (329.1252850000001)
SKF 82958
C19H20ClNO2 (329.11824900000005)
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
C16H19N5O3 (329.14878239999996)
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
C13H20BrN3O2 (329.07388000000003)
(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid
C13H19N3O5S (329.10453640000003)
benzene,formaldehyde,methanesulfonamide,1,3,5-triazine-2,4,6-triamine
C11H19N7O3S (329.12700240000004)
1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
C17H16ClN3O2 (329.09309859999996)
TERT-BUTYL [(1S)-1-(3-BROMO-4-METHOXYPHENYL)ETHYL]CARBAMATE
C14H20BrNO3 (329.0626470000001)
[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
C17H16FN3O3 (329.11756379999997)
1,1-((phenylazanediyl)bis(4,1-phenylene))diethanone
C22H19NO2 (329.14157140000003)
5-(4-chlorophenyl)-3-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
Etofylline nicotinate
C15H15N5O4 (329.11239900000004)
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives
1-(2,5-DIMETHYL-3-THIENYL)-ETHANONE
C15H17Cl2NO3 (329.05854320000003)
4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid
C15H15N5O4 (329.11239900000004)
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, N,N-dimethyl-1-(phenylsulfonyl)-
D-Glutamic acid alpha-T-butyl-delta-benzyl diester hydrochloride
(R)-4-BENZYL-5,5-DIPHENYLOXAZOLIDIN-2-ONE
C22H19NO2 (329.14157140000003)
1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI)
C14H15BF3NO4 (329.10461760000004)
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
C15H19BF3NO3 (329.1410010000001)
1,5-Pentanedione,1,5-diphenyl-3-(4-pyridinyl)-
C22H19NO2 (329.14157140000003)
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
C13H10F3N3O4 (329.06233760000003)
1-[1-(benzenesulfonyl)-6-methoxyindol-3-yl]ethanone
[4-(4-amino-2-chloro-phenyl)-piperazin-1-yl]-o-tolyl-methanone
C18H20ClN3O (329.12948200000005)
5-(Methylthio)-4-phenyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid methyl ester
5-[Bis(2-chloroethyl)amino]-2-benzofurancarboxylic acid ethyl ester
C15H17Cl2NO3 (329.05854320000003)
(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
C16H25Cl2N3 (329.14254300000005)
(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
C22H19NO2 (329.14157140000003)
1,2,3-Trimethyl-1-(2-propen-1-yl)-1H-benzo[e]indolium bromide
C18H20BrN (329.07790200000005)
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
C19H20ClNO2 (329.11824900000005)
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl)acetamide
C15H19BF3NO3 (329.1410010000001)
(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
C14H17Cl2N3O2 (329.06977620000004)
{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
Deoxyadenosine-phosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
(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
C19H20ClNO2 (329.11824900000005)
(3-Chloro-benzylidene)-[4-(2-methoxy-phenyl)-piperazin-1-yl]-amine
C18H20ClN3O (329.12948200000005)
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
2-(4-Methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone
4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone
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
Formycin cyclic 3,5-monophosphate
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins
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
C16H12FN3O2S (329.06342240000004)
4-({[(4-Methylpiperazin-1-YL)amino]carbonothioyl}amino)benzenesulfonamide
C12H19N5O2S2 (329.09801139999996)
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)
C10H20NO9P (329.08756400000004)
5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
C17H16ClN3O2 (329.09309859999996)
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)-
(2R,3S)-Epoxiconazole
C17H13ClFN3O (329.07311300000003)
D016573 - Agrochemicals D010575 - Pesticides
(4aR,6S,7S,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
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
C22H19NO2 (329.14157140000003)
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
C16H16ClN5O (329.10433159999997)
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
N-[3-(4-chlorophenyl)-5-oxo-4-pyrazolidinyl]-3-methylbenzamide
C17H16ClN3O2 (329.09309859999996)
N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
C17H16ClN3O2 (329.09309859999996)
N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamide
C17H16ClN3O2 (329.09309859999996)
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
C15H18F3N3S (329.11734640000003)
N-[(1,3-benzodioxol-5-ylcarbonyl)oxy]-3-nitrobenzenecarboximidamide
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
C16H19N5O3 (329.14878239999996)
4-Methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester
8,5-Cyclo-2-deoxyadenosine monophosphate
An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5 of dAMP.
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
C13H15N9S (329.11710700000003)
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
(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
3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium
C16H17N4O2S+ (329.10721620000004)
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-(4-nitrobenzenesulfonyloxy)methyl-5,5-dimethyldihydro-2(3H)-furanone
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
C13H16FN3O6 (329.10230879999995)
(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
C10H20NO9P (329.08756400000004)
[(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
FLURIDONE
C19H14F3NO (329.10274300000003)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-deoxyadenosine 5-monophosphate(2-)
A 2-deoxyribonucleoside 5-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-deoxyadenosine 5-monophosphate (dAMP).
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.
Cyclic adenosine monophosphate
cAMP. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=60-92-4 (retrieved 2024-07-02) (CAS RN: 60-92-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3].
Mitochonic acid 5
C18H13F2NO3 (329.0863452000001)
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
C13H16FN3O6 (329.10230879999995)
{"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"}
9-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),2(10),13,15(19)-tetraen-12-one
6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-3-(5-hydroxy-3,4-dihydro-2h-pyrrol-3-yl)pyran-2-one
n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine
C16H19N5O3 (329.14878239999996)
{7-methoxy-2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl}methyl acetate
4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol
(1s,18r,19r)-18-hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-14-one
1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbut-3-en-2-ol
2-[(1z,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
2-(3-methoxy-5-methylnaphthalene-1-carbonyloxy)-2-(2-methyloxiran-2-yl)ethanimidic acid
1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutan-2-one
17-thia-1,11,14-triazahexacyclo[10.9.2.0²,⁷.0⁸,²³.0¹³,¹⁸.0¹⁹,²²]tricosa-2(7),3,5,8(23),9,11,13(18),14,19(22),20-decaen-15-ol
7-{[(2s)-3,3-dimethyloxiran-2-yl]methoxy}-4,8-dimethoxyfuro[2,3-b]quinoline
7-[(3,3-dimethyloxiran-2-yl)methoxy]-4,6-dimethoxyfuro[2,3-b]quinoline
5-hydroxy-2-{[(2e)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}benzoic acid
n-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
20-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(13),7,14,19-tetraen-12-one
17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl acetate
1-[(2r)-2,3-dihydroxy-3-methylbutyl]-2,8-dihydroxy-9h-carbazole-3-carbaldehyde
2-[(1z,4s,5r,6r)-4,5-dihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
n-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
(2s)-1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbut-3-en-2-ol
(1s,13s,15s,18s)-18-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
2-[(4r)-7,16-dimethoxy-5,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,13,15-hexaen-4-yl]propan-2-ol
(2s,6s)-2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1(9),10,13,15-tetraene-3,8-dione
1-[(2s)-2,3-dihydroxy-3-methylbutyl]-2,7-dihydroxy-9h-carbazole-3-carbaldehyde
2-[(1z,4r,5s,6s)-4,5-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
(6r,7r)-6-(6-aminopurin-9-yl)-2,7-dihydroxy-tetrahydro-4h-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
2-(1h-indol-3-yl)-n-[(1e)-2-(1h-indol-3-yl)ethenyl]-2-oxoacetamide
methyl (2s)-4-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbutanoate
n-[(1s,2r)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-oxocyclohex-3-en-1-yl]-3-phenylprop-2-enimidic acid
18-hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-14-one
3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-9-one
19-acetyl-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
5,8,9,10-tetramethoxy-4-methylbenzo[g]quinolin-2-ol
(2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid
n-[1,4-bis(3,4-dihydroxyphenyl)-3-oxobut-1-en-2-yl]carboximidic acid
18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-one
7-acetyl-1,7-dihydroxy-3-methoxy-5h,6h-cyclohepta[b]quinoline-8,11-dione
(2e)-n-[(2s)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
(2e)-n-[(2s)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
(2e)-n-[(1s,2r)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-oxocyclohex-3-en-1-yl]-3-phenylprop-2-enimidic acid
7-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-4,8-dimethoxyfuro[2,3-b]quinoline
(2e)-n-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
19-ethenyl-7-hydroxy-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1r,13r,15s,18r)-18-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
(2e)-3-{8,11-dihydroxy-12-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),5,11,13-tetraen-5-yl}-n-methylprop-2-enimidic acid
(2e)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
18-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl acetate
6-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-4,7-dimethoxyfuro[2,3-b]quinoline
(1s,17s,18s,19s)-18-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl acetate
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
2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1(9),10,13,15-tetraene-3,8-dione
1-(2,3-dihydroxy-3-methylbutyl)-2,7-dihydroxy-9h-carbazole-3-carbaldehyde
(1s,13r,15r,18s)-18-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
2-[(1z)-4,5-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
6-[(3,3-dimethyloxiran-2-yl)methoxy]-4,7-dimethoxyfuro[2,3-b]quinoline
(7r)-7-acetyl-1,7-dihydroxy-3-methoxy-5h,6h-cyclohepta[b]quinoline-8,11-dione
5,6-dihydroxy-1-(indol-3-ylidene)naphtho[2,1-b]furan-2-one
6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-3-(5-hydroxy-3,4-dihydro-2h-pyrrol-3-yl)pyran-2-one
18-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
6-[8-(3-chloro-1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]-4-methoxypyran-2-one
(2s,3s,6r)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-9-one
n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
(2z)-n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
n-{3-[(4z)-2-hydroxy-1-[(1e)-2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene]propyl}guanidine
C16H19N5O3 (329.14878239999996)