Exact Mass: 329.16269980000004
Exact Mass Matches: 329.16269980000004
Found 500 metabolites which its exact mass value is equals to given mass value 329.16269980000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sinomenine
C19H23NO4 (329.16269980000004)
Sinomenine is a morphinane alkaloid. Sinomenine is a natural product found in Sinomenium acutum, Stephania cephalantha, and other organisms with data available. Sinomenine is an alkaloid isolated from the root of Sinomenium acutum with immunomodulatory and potential anti-angiogenic and activities. Although the mechanism of action remains to be fully elucidated, sinomenine appears to inhibit endothelial proliferation mediated through basic fibroblast growth factor (bFGF), which may contribute to its anti-angiogenic effect. In Chinese medicine, this agent has a long track-record in treating arthritis, which is accounted by its ability to inhibit proliferation of synovial fibroblasts and lymphocytes. In addition, sinomenine has been shown to suppress expressions of genes involved in inflammation and apoptosis, such as interleukin-6, a pleiotropic inflammatory cytokine and JAK3 (Janus kinase 3), Daxx (death-associated protein 6), plus HSP27 (heat shock 27kDa protein 1), respectively. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D018501 - Antirheumatic Agents Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.366 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.360 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.362 Sinomenine, an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine, an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine, an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2].
(S)-Reticuline
C19H23NO4 (329.16269980000004)
(S)-Reticuline is an endogenous precursor of morphine (PMID: 15383669). (S)-Reticuline is a key intermediate in the synthesis of morphine, the major active metabolite of the opium poppy. "Endogenous morphine" has been long isolated and authenticated by mass spectrometry in trace amounts from animal- and human-specific tissue or fluids (PMID: 15874902). Human neuroblastoma cells (SH-SY5Y) were shown capable of synthesizing morphine as well. (S)-Reticuline undergoes a change of configuration at C-1 during its transformation into salutaridinol and thebaine. From thebaine, there is a bifurcate pathway leading to morphine proceeding via codeine or oripavine, in both plants and mammals (PMID 15937106). (S)-reticuline is the (S)-enantiomer of reticuline. It has a role as an EC 2.1.1.116 [3-hydroxy-N-methyl-(S)-coclaurine 4-O-methyltransferase] inhibitor. It is a conjugate base of a (S)-reticulinium(1+). It is an enantiomer of a (R)-reticuline. Reticuline is a natural product found in Fumaria capreolata, Berberis integerrima, and other organisms with data available. See also: Peumus boldus leaf (part of). Alkaloid from Papaver somniferum (opium poppy) and Annona reticulata (custard apple) The (S)-enantiomer of reticuline.
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].
Trilostane
Trilostane is only found in individuals that have used or taken this drug. It is an inhibitor of 3 beta-hydroxysteroid dehydrogenase used in the treatment of Cushings syndrome. It was withdrawn from the United States market in April 1994. [Wikipedia]Trilostane produces suppression of the adrenal cortex by inhibiting enzymatic conversion of steroids by 3-beta-hydroxysteroid dehydrogenase/delta 5,4 ketosteroid isomerase, thus blocking synthesis of adrenal steroids. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids C471 - Enzyme Inhibitor > C54678 - Hydroxysteroid Dehydrogenase Inhibitor > C2184 - 3-Hydroxysteroid Dehydrogenase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2355 - Anti-Adrenal D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Same as: D01180
Salutaridinol
C19H23NO4 (329.16269980000004)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Valclavam
C14H23N3O6 (329.15867779999996)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Cinnamoylcocaine
C19H23NO4 (329.16269980000004)
Isosinomenine
C19H23NO4 (329.16269980000004)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Cypendazole
C16H19N5O3 (329.14878239999996)
(R)-Reticuline
C19H23NO4 (329.16269980000004)
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].
Pipertipine
Pipertipine is found in herbs and spices. Pipertipine is an alkaloid from the dried seeds of pepper Piper nigrum. Alkaloid from the dried seeds of pepper Piper nigrum. Pipertipine is found in herbs and spices.
(8E)-Piperamide-C9:1
(8E)-Piperamide-C9:1 is found in herbs and spices. (8E)-Piperamide-C9:1 is a constituent of pepper (Piper nigrum). Constituent of pepper (Piper nigrum). (8E)-Piperamide-C9:1 is found in herbs and spices.
Retrofractamide C
Retrofractamide C is an alkaloid from Piper retrofractum (Javanese long pepper). Alkaloid from Piper retrofractum (Javanese long pepper).
xi-Anomuricine
C19H23NO4 (329.16269980000004)
xi-Anomuricine is found in fruits. Minor alkaloid from the root and stem barks of Annona muricata (soursop). Minor alkaloid from the root and stem barks of Annona muricata (soursop). xi-Anomuricine is found in fruits.
N-desethyloxybutynin
N-desethyloxybutynin is a metabolite of oxybutynin. Oxybutynin (Ditropan, Lyrinel XL) is an anticholinergic medication used to relieve urinary and bladder difficulties, including frequent urination and inability to control urination, by decreasing muscle spasms of the bladder. It competitively antagonizes the M1, M2, and M3 subtypes of the muscarinic acetylcholine receptor. It also has direct spasmolytic effects on bladder smooth muscle as a calcium antagonist and local anesthetic, but at concentrations far above those used clinically. (Wikipedia) D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
Hydroxyethylpromethazine
C19H25N2OS+ (329.16875000000005)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives Hydroxyethylpromethazine is a first-generation phenothiazine H1-antihistamine.
Non-5-enedioylcarnitine
Non-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an non-5-enedioic 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. non-5-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine non-5-enedioylcarnitine 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].
Non-6-enedioylcarnitine
Non-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an non-6-enedioic 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. non-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine non-6-enedioylcarnitine 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].
(2E)-Non-2-enedioylcarnitine
(2E)-non-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-non-2-enedioic 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. (2E)-non-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-non-2-enedioylcarnitine 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].
14-Methoxymetopon
C19H23NO4 (329.16269980000004)
Anthramycin methyl ether
Dapivirine
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
6-(4,5-Dihydro-1H-imidazol-2-yl)-2-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-1H-indole
Gabapentin enacarbil
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
Modrastane
Modrefen
Oxycodone cr
C19H23NO4 (329.16269980000004)
Sinomenine
C19H23NO4 (329.16269980000004)
6-Chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
C19H20ClNO2 (329.11824900000005)
Sunepitron
8-trans-Piperamide-C-9-1
8-trans-piperamide-c-9-1 is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. 8-trans-piperamide-c-9-1 is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 8-trans-piperamide-c-9-1 can be found in pepper (spice), which makes 8-trans-piperamide-c-9-1 a potential biomarker for the consumption of this food product.
salutaridinol
C19H23NO4 (329.16269980000004)
Salutaridinol belongs to phenanthrenes and derivatives class of compounds. Those are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. Salutaridinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Salutaridinol can be found in a number of food items such as pummelo, cardamom, yellow wax bean, and chinese bayberry, which makes salutaridinol a potential biomarker for the consumption of these food products. Salutaridinol is a modified benzyltetrahydroisoquinoline alkaloid with the formula C19H23NO4. It is produced in the secondary metabolism of the opium poppy Papaver somniferum (Papaveraceae) as an intermediate in the biosynthetic pathway that generates morphine. As an isoquinoline alkaloid, it is fundamentally derived from tyrosine as part of the shikimate pathway of secondary metabolism. Salutaridinol is a product of the enzyme salutaridine: NADPH 7-oxidoreductase and the substrate for the enzyme salutaridinol 7-O-acetyltransferase, which are two of the four enzymes in the morphine biosynthesis pathway that generates morphine from (R)-reticuline. Salutaridinols unique position adjacent to two of the four enzymes in the morphine biosynthesis pathway gives it an important role in enzymatic, genetic, and synthetic biology studies of morphine biosynthesis. Salutaridinol levels are indicative of the flux through the morphine biosynthesis pathway and the efficacy of both salutaridine: NADPH 7-oxidoreductase and salutaridinol 7-O-acetyltransferase .
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-(4-methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
(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
1,2,3,4-Tetrahydro-6-hydroxy-7-methoxy-1-(4-hydroxy-3-methoxybenzyl)-2-methylisoquinoline
C19H23NO4 (329.16269980000004)
nortropane-3alpha,7beta-diol 7-trans-cinnamate 3-propanoate
C19H23NO4 (329.16269980000004)
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
2-Hydroxy-3-methoxy-6-oxo-N-acetylmorphinan
C19H23NO4 (329.16269980000004)
(1S,17S)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0^{1,14.0^{2,7]octadeca-2,4,6,14-tetraene
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
N-[2-(4-Methoxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
C19H23NO4 (329.16269980000004)
N-[2-(4-Hydroxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
C19H23NO4 (329.16269980000004)
(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
8-Demethoxycephatonine
C19H23NO4 (329.16269980000004)
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
2,3-methanediyldioxy-6xi-methoxy-17-methyl-morphin-8(14)-en-7xi-ol|5,6-dihydro-amurinol|amurininol|Dihydroundarin
C19H23NO4 (329.16269980000004)
(7Z,10S,12Z,13aS)-7,13-epoxy-2,3,9,10,11,13a-hexahydro-5,6-dimethoxy-1-methyl-1H-cyclodec[ij]isoquinolin-10-ol|stephalonganine B
C19H23NO4 (329.16269980000004)
1-[7-(3,4-methylenedioxyphenyl)-(2E,4E)-heptadienoyl]-N-isobutylamide
cloperastine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Diphenylmethylene-Glycine benzyl ester
C22H19NO2 (329.14157140000003)
14-Episinomenine
C19H23NO4 (329.16269980000004)
14-Episinomenine is a natural product found in Stephania cephalantha with data available.
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].
Trilostane
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids C471 - Enzyme Inhibitor > C54678 - Hydroxysteroid Dehydrogenase Inhibitor > C2184 - 3-Hydroxysteroid Dehydrogenase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2355 - Anti-Adrenal D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4414; ORIGINAL_PRECURSOR_SCAN_NO 4413 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4409; ORIGINAL_PRECURSOR_SCAN_NO 4407 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4370; ORIGINAL_PRECURSOR_SCAN_NO 4368 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4405; ORIGINAL_PRECURSOR_SCAN_NO 4404 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4410 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4413; ORIGINAL_PRECURSOR_SCAN_NO 4412 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8763; ORIGINAL_PRECURSOR_SCAN_NO 8759 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9288; ORIGINAL_PRECURSOR_SCAN_NO 9285 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9297; ORIGINAL_PRECURSOR_SCAN_NO 9293 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9341; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8839; ORIGINAL_PRECURSOR_SCAN_NO 8834 CONFIDENCE standard compound; INTERNAL_ID 720; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8911; ORIGINAL_PRECURSOR_SCAN_NO 8909
(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
kukoline
C19H23NO4 (329.16269980000004)
Origin: Plant; Formula(Parent): C19H23NO4; Bottle Name:Sinomenine; PRIME Parent Name:Sinomenine; PRIME in-house No.:V0298; SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D018501 - Antirheumatic Agents Sinomenine, an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine, an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine, an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2].
Delatine
Origin: Plant; Formula(Parent): C20H27NO3; Bottle Name:Hetisine hydrochloride; PRIME Parent Name:Hetisine; PRIME in-house No.:V0348; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
ufiprazole
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
N-desethyloxybutynin
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
Benzyl N-(diphenylmethylene)glycinate
C22H19NO2 (329.14157140000003)
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].
xi-Anomuricine
C19H23NO4 (329.16269980000004)
Thiourea,N-(2-methoxyphenyl)-N-(1-methylethyl)-N-[1-(2-pyridinyl)ethyl]-
C18H23N3OS (329.15617480000003)
2-amino-6-(4-methylphenyl)-3-nitro-4-phenylbenzonitrile
4-(4-DIETHYLAMINOPHENYLIMINO)-1-OXO-1,4-DIHYDRONAPHTHALENE-2-CARBONITRILE
C21H19N3O (329.15280440000004)
butyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,methyl 2-methylprop-2-enoate
(S)-2-Amino-5-methoxytetralin (S)-mandelate
C19H23NO4 (329.16269980000004)
(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
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
9,10-Ethanoanthracene-9(10H)-ethanol,a-[(methylamino)methyl]-,hydrochloride (1:1)
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
4-[2-[benzyl(tert-butyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
5-NITRO-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
C16H19N5O3 (329.14878239999996)
(S)-2-TERT-BUTOXYCARBONYLAMINO-3-NAPHTHALEN-2-YL-PROPIONIC ACID METHYL ESTER
C19H23NO4 (329.16269980000004)
Tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl)carbamate
2-ethylhexyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
C19H23NO4 (329.16269980000004)
benzene,formaldehyde,methanesulfonamide,1,3,5-triazine-2,4,6-triamine
C11H19N7O3S (329.12700240000004)
(3-FLUOROPHENYL)[2-NITRO-4-[(PIPERIDIN-1-YL)METHYL]PHENYL]AMINE
sodium 2-[(1-oxododecyl)amino]ethanesulphonate
C14H28NNaO4S (329.16366480000005)
1-tert-butyl 4,4-diethyl piperidine-1,4,4-tricarboxylate
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
Pramoxine HCl
C17H28ClNO3 (329.17576080000003)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
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)
Pivopril
C16H27NO4S (329.16607020000004)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor
1,1-((phenylazanediyl)bis(4,1-phenylene))diethanone
C22H19NO2 (329.14157140000003)
Boc-(S)-3-Amino-4-(2-naphthyl)-butyric acid
C19H23NO4 (329.16269980000004)
(S)-5-METHOXY-N-PROPYL-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE
C20H27NOS (329.18132520000006)
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, N,N-dimethyl-1-(phenylsulfonyl)-
N-(3,4-Dimethoxyphenethyl)-2-(4-methoxyphenyl)acetamide
C19H23NO4 (329.16269980000004)
D-Glutamic acid alpha-T-butyl-delta-benzyl diester hydrochloride
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-phenyl-, 3,5-diethyl ester
C19H23NO4 (329.16269980000004)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
C19H23NO4 (329.16269980000004)
Boc-(R)-3-Amino-4-(1-naphthyl)-butyric acid
C19H23NO4 (329.16269980000004)
Boc-(R)-3-Amino-4-(2-naphthyl)-butyric acid
C19H23NO4 (329.16269980000004)
(R)-4-BENZYL-5,5-DIPHENYLOXAZOLIDIN-2-ONE
C22H19NO2 (329.14157140000003)
5-METHOXY-1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLIN
C21H19N3O (329.15280440000004)
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[4-(4-methoxyphenyl)-1-piperazinyl]
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
tert-butyl 3-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
(S)-2 Azido-3-(3-indolyl)propionic acid cyclohexylamMonium salt
2-[3-(1-carbamoyl-1-methylethyl)-5-[1,2,4]triazol-1-ylmethylphenyl]-isobutyramide
(2S,3R)-3-(((BENZYLOXY)CARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID
1-(TERT-BUTOXYCARBONYL)SPIRO[INDENE-1,4-PIPERIDINE]-3-CARBOXYLIC ACID
C19H23NO4 (329.16269980000004)
4-N-BOC-AMINOMETHYL-1-N-BOC-PYRROLIDIN-3-ONE OXIME
TERT-BUTYL 3-(4-METHOXYPHENYL)-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
[4-(4-amino-2-chloro-phenyl)-piperazin-1-yl]-o-tolyl-methanone
C18H20ClN3O (329.12948200000005)
2-(TETRAHYDRO-2H-PYRAN-4-YLOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Boc-(S)-3-Amino-4-(1-naphthyl)-butyric acid
C19H23NO4 (329.16269980000004)
(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
N,N-diMethyl-3-(6,7,8,9-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)propan-1-aMine dihydrochloride
C16H25Cl2N3 (329.14254300000005)
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)
6,7-dimethoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazolin-4-amine
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)
cobalt(2+),1,2,3,5,5-pentamethylcyclopenta-1,3-diene
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
2-Benzyl 4-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dica rboxylate
C19H23NO4 (329.16269980000004)
Malachite green cation
C23H25N2+ (329.20176299999997)
D004396 - Coloring Agents > D012394 - Rosaniline Dyes D000890 - Anti-Infective Agents D016573 - Agrochemicals D010575 - Pesticides
3-Benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid
Aspyridone A
C19H23NO4 (329.16269980000004)
2-Pyridone carrying as substituents a branched dimethylhexanoyl group, a hydroxy group and a p-hydroxyphenyl group at C-3, -4 and -5 respectively. Secondary metabolite produced by Aspergillus spp.
(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].
6-Alpha Naloxol
C19H23NO4 (329.16269980000004)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-tricyclo(3.3.1.13,7)dec-1-yl-, (1R,3S)-
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
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)
(3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)(pyrrolidin-1-yl)methanone
C18H23N3OS (329.15617480000003)
2-(4-Methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone
N-[3-(2-methylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
C17H23N5S (329.16740780000003)
2H-Indazole-6-carboxamide, 2-ethyl-3-methoxy-N-[2-(2-thienyl)ethyl]-
3-(2-Piperidin-1-yl-acetylamino)-1H-indole-2-carboxylic acid ethyl ester
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide
2-Methyl-4-[2-(4-phenylcyclohexylidene)hydrazin-1-yl]quinoline
(2S)-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanedioic Acid
C14H23N3O6 (329.15867779999996)
6-Amino-2-[(2-Morpholin-4-Ylethyl)amino]-3,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
C15H19N7O2 (329.16001539999996)
(3r)-3-[(1,2,3,4-Tetrahydroisoquinolin-7-Yloxy)methyl]-2,3-Dihydrothieno[2,3-F][1,4]oxazepin-5-Amine
Gabapentin enacarbil
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Dapivirine
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
CHEBI:17428
C19H23NO4 (329.16269980000004)
2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
2,11,12-Trimethoxy-1,2,5,6,8,9-hexahydroindolo[7a,1-a]isoquinolin-3-one
C19H23NO4 (329.16269980000004)
L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
(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
3-[[(E)-4-Methoxy-4-oxo-2-butenoyl]amino]-L-Ala-L-Leu-OH
C14H23N3O6 (329.15867779999996)
(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
(2R,3S)-2-hydroxytridecane-1,2,3-tricarboxylate
C16H25O7-3 (329.16002000000003)
4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-methoxyphenol
C19H23NO4 (329.16269980000004)
1-[(8E)-9-(3,4-methylenedioxyphenyl)-8-nonenoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
17-Hydroxy-10-methoxy-4-(methylamino)-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one
C19H23NO4 (329.16269980000004)
Pipercallosine
An alkaloid enamide that is (2E,4E)-N-(2-methylpropyl)nona-2,4-dienamide substituted at position 9 by a 1,3-benzodioxol-5-yl group. Isolated from Piper sarmentosum, it has been found to induce apoptosis in HT-29 cells.
(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)
4-Mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
1-[3-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-butanone
2-amino-5-(1-benzotriazolyl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
[3-[(2-Methylphenyl)methyl]-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidinyl]methanol
C20H27NOS (329.18132520000006)
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
3,6-Dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-4,7-diol
C19H23NO4 (329.16269980000004)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-fluorophenyl)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
C21H19N3O (329.15280440000004)
3-Ethyl-2-[2-(2-methyl-1H-indol-3-yl)-vinyl]-3H-quinazolin-4-one
C21H19N3O (329.15280440000004)
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-(Cycloheptylideneamino)-3-[2-(trifluoromethyl)phenyl]thiourea
C15H18F3N3S (329.11734640000003)
N-(2,3-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
C21H19N3O (329.15280440000004)
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
C16H19N5O3 (329.14878239999996)
2-(3-bicyclo[2.2.1]heptanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate
C16H25O7-3 (329.16002000000003)
3-[5-(4-Methoxyphenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid
C19H23NO4 (329.16269980000004)
1-methyl-N,N-bis(trimethylsilyl)-5-[(trimethylsilyl)oxy]imidazol-2-amine
C13H31N3OSi3 (329.17748359999996)
N2,N2-dimethyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine
C13H15N9S (329.11710700000003)
3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanyl-L-leucine
C14H23N3O6 (329.15867779999996)
(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
C21H19N3O (329.15280440000004)
(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
(S)-1-(1-(1-(2-amino-9H-purin-6-yl)piperidin-4-yl)-1H-1,2,3-triazol-4-yl)ethanol
C14H19N9O (329.17124839999997)
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanamide
(1,2-Dimethyl-3-imidazo[1,2-a]pyridin-4-iumyl)-diphenylmethanol
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
(2E)-11-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]undec-2-enoate
(E,10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundec-2-enoate
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
C19H23NO4 (329.16269980000004)
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (Z)-3-(2-methoxyphenyl)prop-2-enoate
[(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
(1S,3S,5R,8R,9R,10R,11R,14R,16R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
(1R,2R,6R,8S,11S,12S,15R,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
(1S,3S,5R,8R,10R,11R,14R,16R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
(1S,3S,5R,8R,9R,10R,11R,14R,16R,17R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
methyl (3S,4R)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate
C19H23NO4 (329.16269980000004)
2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxy-4-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]butanoic acid
C14H23N3O6 (329.15867779999996)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Promethazine hydroxyethyl
C19H25N2OS+ (329.16875000000005)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives
4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
C19H23NO4 (329.16269980000004)
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol
C19H23NO4 (329.16269980000004)
3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
2,2-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol
oscr#17(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#17, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Leu-FMDP
C14H23N3O6 (329.15867779999996)
A dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-leucine joined by peptide linkages.
(1r,4s,5r)-4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),9,14(18)-trien-8-one
C19H23NO4 (329.16269980000004)
(1s,19s,20r)-20-methoxy-5,7-dioxa-14-azapentacyclo[12.7.0.0¹,¹⁷.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9,17-tetraen-19-ol
C19H23NO4 (329.16269980000004)
1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-6-ol
C19H23NO4 (329.16269980000004)
5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,15,19-triol
7-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-4,6-dimethoxyfuro[2,3-b]quinoline
7,8,11-trimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
C19H23NO4 (329.16269980000004)
(1r,9r,10s)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,13-tetraen-12-one
C19H23NO4 (329.16269980000004)
1-(2,3-dihydroxy-3-methylbutyl)-2,8-dihydroxy-9h-carbazole-3-carbaldehyde
3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
C19H23NO4 (329.16269980000004)
5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-8,13,19-triol
methyl (1r,2r,3s,5s)-8-methyl-3-{[(2e)-3-phenylprop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octane-2-carboxylate
C19H23NO4 (329.16269980000004)
(1s,9s,10r)-5-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,13-tetraen-12-one
C19H23NO4 (329.16269980000004)
(2e)-n-[(2r)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
(1s,3s,5r,8r,9s,10r,11r,14r,16s,17r,18r,19s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10,19-triol
(1r,4's)-11'-hydroxy-3,10'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one
C19H23NO4 (329.16269980000004)
(1s,2r,5r,8r,9s,11r,13r,14r,15s,16r,17r,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,13,15-triol
4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,15-tetraene
(2e)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-ol
(1s,17r)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene
(1s,9r,10s)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,13-tetraen-12-one
C19H23NO4 (329.16269980000004)
(2r,5e)-2-[(4r)-1-(2,4-dihydroxybutyl)-2-iminoimidazolidin-4-yl]-7-hydroxy-6-methylhept-5-enoic acid
(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
(1r,13r,15s,18r)-4,18-dimethoxy-14-oxa-11-azapentacyclo[9.8.0.0¹,¹⁵.0²,⁷.0¹³,¹⁵]nonadeca-2(7),3,5,16-tetraen-5-ol
C19H23NO4 (329.16269980000004)