Exact Mass: 339.1531008
Exact Mass Matches: 339.1531008
Found 500 metabolites which its exact mass value is equals to given mass value 339.1531008,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sinactin
C20H21NO4 (339.14705060000006)
Sinactine is an alkaloid. Sinactine is a natural product found in Fumaria capreolata, Fumaria muralis, and other organisms with data available. Tetrahydroepiberberine is a isoquinoline alkaloid isolated from Corydalis impatiens (Pall). Tetrahydroepiberberine has antifungal and selective inhibition against the PI-3 virus activities[1]. Tetrahydroepiberberine is a isoquinoline alkaloid isolated from Corydalis impatiens (Pall). Tetrahydroepiberberine has antifungal and selective inhibition against the PI-3 virus activities[1].
Dicentrine
C20H21NO4 (339.14705060000006)
Dicentrine is an aporphine alkaloid. Dicentrine is a natural product found in Cissampelos pareira, Stephania abyssinica, and other organisms with data available. Dicentrine is an anticancer compound isolated from Lindera, a species of flowering plants. Dicentrine is a natural product isolated from the plant Stephania epigaea Lo with antihypertensive effect. Dicentrine is an α1-adrenoceptor antagonist which has effective against human hyperplastic prostates[1].
Canadine
C20H21NO4 (339.14705060000006)
(S)-canadine is the (S)-enantiomer of canadine. It has a role as a plant metabolite. It is an an (S)-7,8,13,14-tetrahydroprotoberberine and a canadine. It is functionally related to a (S)-nandinine. It is an enantiomer of a (R)-canadine. (S)-Canadine is a natural product found in Hydrastis canadensis, Corydalis turtschaninovii, and other organisms with data available. The (S)-enantiomer of canadine. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.721 D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators relative retention time with respect to 9-anthracene Carboxylic Acid is 0.718 Tetrahydroberberine is an isoquinoline alkaloid isolated from Corydalis Corydalis, with uM-level affinity for D2 and 5-HT1A receptors. Tetrahydroberberine is a different kind of living thing that can be extended and divided into parts. Tetrahydroberberine is a kind of effective D2 receptor antagonistic force. Tetrahydroberberine has the ability to strengthen the stomach and relieve the pressure on the stomach[1][2][3]. Tetrahydroberberine is an isoquinoline alkaloid isolated from Corydalis Corydalis, with uM-level affinity for D2 and 5-HT1A receptors.
Papaverine
C20H21NO4 (339.14705060000006)
Papaverine is an alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels. [PubChem]. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AD - Papaverine and derivatives G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2252 Alkaloid from Papaver somniferum (opium poppy)
Nalmefene
C21H25NO3 (339.18343400000003)
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BB - Drugs used in alcohol dependence D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
Perazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Nantenine
C20H21NO4 (339.14705060000006)
A natural product found in Corydalis cava and Nandina domestica. Annotation level-1
Vulgaxanthin I
Vulgaxanthin I is found in common beet. Vulgaxanthin I is a yellow pigment from Beta species Vulgaxanthin I is a food colouran Yellow pigment from Beta subspecies Food colourant. Vulgaxanthin I is found in red beetroot, common beet, and root vegetables. D004396 - Coloring Agents > D050858 - Betalains
Eschscholtzidine
C20H21NO4 (339.14705060000006)
A heteropentacyclic isoquinoline alkaloid having a tertiary amino bridging group.
Tetraphenylphosphonium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D000970 - Antineoplastic Agents
Xamoterol
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Same as: D06328
NCIOpen2_009010
C21H25NO3 (339.18343400000003)
Phenoxybenzamine HCl
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Phenoxybenzamine hydrochloride is a nonselective, irreversible, orally active α-adrenoceptor antagonist that is commonly used for the research of hypertension, specifically caused by pheochromocytoma. Phenoxybenzamine hydrochloride also shows antitumor activity[1][2].
Methylergonovine
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D012102 - Reproductive Control Agents > D010120 - Oxytocics
(R)-Canadine
C20H21NO4 (339.14705060000006)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators A canadine which has R configuration.
Canadine
C20H21NO4 (339.14705060000006)
Canadine is a berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. It is a berberine alkaloid, an organic heteropentacyclic compound, an aromatic ether and an oxacycle. Canadine is a natural product found in Glaucium squamigerum, Hydrastis canadensis, and other organisms with data available. A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators Tetrahydroberberine is an isoquinoline alkaloid isolated from Corydalis Corydalis, with uM-level affinity for D2 and 5-HT1A receptors. Tetrahydroberberine is a different kind of living thing that can be extended and divided into parts. Tetrahydroberberine is a kind of effective D2 receptor antagonistic force. Tetrahydroberberine has the ability to strengthen the stomach and relieve the pressure on the stomach[1][2][3]. Tetrahydroberberine is an isoquinoline alkaloid isolated from Corydalis Corydalis, with uM-level affinity for D2 and 5-HT1A receptors.
Methylergonovine
Methylergonovine is only found in individuals that have used or taken this drug. It is a homolog of ergonovine containing one more CH2 group. (Merck Index, 11th ed)Methylergonovine acts directly on the smooth muscle of the uterus and increases the tone, rate, and amplitude of rhythmic contractions through binding and the resultant antagonism of the dopamine D1 receptor. Thus, it induces a rapid and sustained tetanic uterotonic effect which shortens the third stage of labor and reduces blood loss. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D012102 - Reproductive Control Agents > D010120 - Oxytocics
N-Methoxycarbonyl-N-nornuciferine
C20H21NO4 (339.14705060000006)
N-Methoxycarbonyl-N-nornuciferine is found in alcoholic beverages. N-Methoxycarbonyl-N-nornuciferine is an alkaloid from Rollinia mucosa (biriba). Alkaloid from Rollinia mucosa (biriba). N-Methoxycarbonyl-N-nornuciferine is found in alcoholic beverages and fruits.
Dehydropipernonaline
C21H25NO3 (339.18343400000003)
Dehydropipernonaline is found in herbs and spices. Dehydropipernonaline is isolated from fruits of Piper longum (long pepper). Isolated from fruits of Piper longum (long pepper). Dehydropipernonaline is found in herbs and spices and pepper (spice).
Litebamine
C20H21NO4 (339.14705060000006)
Litebamine is found in fruits. Litebamine is an alkaloid from Litsea cubeba (mountain pepper). Alkaloid from Litsea cubeba (mountain pepper). Litebamine is found in fruits.
1-Hydroxyrutacridone epoxide
1-Hydroxyrutacridone epoxide is an alkaloid from the callus tissue of Ruta graveolens (rue). Alkaloid from the callus tissue of Ruta graveolens (rue).
Rutagravine
Rutagravine is found in herbs and spices. Rutagravine is an alkaloid from the callus tissue of Ruta graveolens (rue). Alkaloid from the callus tissue of Ruta graveolens (rue). Rutagravine is found in herbs and spices.
5-Hydroxytryptophol glucuronide
C16H21NO7 (339.13179560000003)
5-Hydroxytryptophol glucuronide (GTOL) is the major excretion form of 5-hydroxytryptophol (5-HTOL), a minor serotonin metabolite under normal conditions. Because the concentration of 5-HTOL is markedly increased following consumption of alcohol, measurement of 5-HTOL is used as a sensitive biomarker for detection of recent alcohol intake. PMID: 15664340. 5-Hydroxytryptophol glucuronide provided higher diagnostic specificity and sensitivity than 5-hydroxytryptophol. PMID: 17112495. 5-Hydroxytryptophol glucuronide (GTOL) is the major excretion form of 5-hydroxytryptophol (5-HTOL), a minor serotonin metabolite under normal conditions. Because the concentration of 5-HTOL is markedly increased following consumption of alcohol, measurement of 5-HTOL is used as a sensitive biomarker for detection of recent alcohol intake. PMID: 15664340
7-Hydroxygliclazide
7-Hydroxygliclazide is only found in individuals that have used or taken Gliclazide. 7-Hydroxygliclazide is a metabolite of Gliclazide. 7-hydroxygliclazide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
6-Hydroxygliclazide
6-Hydroxygliclazide is only found in individuals that have used or taken Gliclazide. 6-Hydroxygliclazide is a metabolite of Gliclazide. 6-hydroxygliclazide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
Methylhydroxygliclazide
Methylhydroxygliclazide is only found in individuals that have used or taken Gliclazide. Methylhydroxygliclazide is a metabolite of Gliclazide. Methylhydroxygliclazide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
20-Hydroxyrutacridone epoxide
20-Hydroxyrutacridone epoxide is found in herbs and spices. 20-Hydroxyrutacridone epoxide is an alkaloid from the roots and callus tissue cultures of Ruta graveolens (rue). Alkaloid from the roots and callus tissue cultures of Ruta graveolens (rue). 20-Hydroxyrutacridone epoxide is found in herbs and spices.
(3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine
(3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine is an acylcarnitine. More specifically, it is an (3E,5E,8Z)-deca-3,5,7-trienedioic 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. (3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine 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].
Deca-2,5,8-trienedioylcarnitine
Deca-2,5,8-trienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-2,5,8-trienedioic 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. Deca-2,5,8-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-2,5,8-trienedioylcarnitine 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].
Deca-3,5,7-trienedioylcarnitine
Deca-3,5,7-trienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-3,5,7-trienedioic 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. Deca-3,5,7-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-3,5,7-trienedioylcarnitine 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].
Deca-4,6,8-trienedioylcarnitine
Deca-4,6,8-trienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-4,6,8-trienedioic 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. Deca-4,6,8-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-4,6,8-trienedioylcarnitine 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].
(+/-)-Dicentrine
C20H21NO4 (339.14705060000006)
(s)-dicentrine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof (s)-dicentrine is practically insoluble (in water) and a very strong basic compound (based on its pKa). (s)-dicentrine can be found in barley, which makes (s)-dicentrine a potential biomarker for the consumption of this food product. Dicentrine is a natural product isolated from the plant Stephania epigaea Lo with antihypertensive effect. Dicentrine is an α1-adrenoceptor antagonist which has effective against human hyperplastic prostates[1].
(R)-Canadine
C20H21NO4 (339.14705060000006)
Tetrahydroberberine is an isoquinoline alkaloid isolated from Corydalis Corydalis, with uM-level affinity for D2 and 5-HT1A receptors. Tetrahydroberberine is a different kind of living thing that can be extended and divided into parts. Tetrahydroberberine is a kind of effective D2 receptor antagonistic force. Tetrahydroberberine has the ability to strengthen the stomach and relieve the pressure on the stomach[1][2][3]. Tetrahydroberberine is an isoquinoline alkaloid isolated from Corydalis Corydalis, with uM-level affinity for D2 and 5-HT1A receptors.
N(G)-Nitroarginine-4-nitroanilide
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-[(2-methylcyclopropyl)methyl]pyrrolo[2,3-d]pyridazine
Alogliptin
Bursin
C14H25N7O3 (339.20187799999997)
Bursopoietin
C14H25N7O3 (339.20187799999997)
n2-(1-Carboxyethyl)-2'-deoxyguanosine
(2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile
Edivoxetine
C18H26FNO4 (339.18457680000006)
Loxoribine
1',3'-Dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Nalmefene
C21H25NO3 (339.18343400000003)
Panipenem
16,17-Dimethoxy-6,8-dioxa-1-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3,5(9),10,14,16,18-hexaene
C20H21NO4 (339.14705060000006)
glutamine-betaxanthin
D004396 - Coloring Agents > D050858 - Betalains
L-CBN
C20H21NO4 (339.14705060000006)
Crebanine is a natural product found in Stephania abyssinica, Stephania cephalantha, and Stephania hainanensis with data available. Crebanine, an alkaloid from Stephania venosa, induces G1 arrest and apoptosis in human cancer cells. Crebanine exhibits anti-inflammatory activity via suppressing MAPKs and Akt signaling. Crebanine also possesses antiarrhythmic effect[1][2]. Crebanine, an alkaloid from Stephania venosa, induces G1 arrest and apoptosis in human cancer cells. Crebanine exhibits anti-inflammatory activity via suppressing MAPKs and Akt signaling. Crebanine also possesses antiarrhythmic effect[1][2]. Crebanine, an alkaloid from Stephania venosa, induces G1 arrest and apoptosis in human cancer cells. Crebanine exhibits anti-inflammatory activity via suppressing MAPKs and Akt signaling. Crebanine also possesses antiarrhythmic effect[1][2].
Tox21_302226
2-Dehydrodeacetylheterophylloidine
C21H25NO3 (339.18343400000003)
Eximine
C20H21NO4 (339.14705060000006)
Dicentrine is a natural product isolated from the plant Stephania epigaea Lo with antihypertensive effect. Dicentrine is an α1-adrenoceptor antagonist which has effective against human hyperplastic prostates[1].
3-(2-hydroxyethyl)-1H-indole-5-O-beta-D-glucopyranoside
C16H21NO7 (339.13179560000003)
2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
C21H25NO3 (339.18343400000003)
[[1-amino-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propylidene]amino] benzoate
(+-)-Apocavidin|(+-)-apocavidine|(+/-)-apocavidine|9-methoxy-6t-methyl-(6ar)-6,11,12,14-tetrahydro-6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinolin-8-ol|apocavidine
C20H21NO4 (339.14705060000006)
(+/-)-chilenamine|(??)-Chilenamine|9,10-dimethoxy-5,8,12b,13-tetrahydro-6H-[1,3]dioxolo[4,5:4,5]benzo[1,2:4,5]azepino[2,1-a]isoindole|chilenamine
C20H21NO4 (339.14705060000006)
(6Z)-6-{[2-(1,1-dimethylprop-2-en-1-yl)-1H-indol-3-yl]methylidene}-3-hydroxy-3-methylpiperazine-2,5-dione|variecolorin O
(+-)-epiapocavidine|9-methoxy-13-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-10-ol|Epiapocavidin
C20H21NO4 (339.14705060000006)
(+-)-amurensinine|7,8-dimethoxy-13-methyl-10,11-dihydro-5H-11c,5r-azaethano-benzo[4,5]cyclohepta[1,2:4,5]benzo[1,2-d][1,3]dioxole|Amurensinin|Amurensinine
C20H21NO4 (339.14705060000006)
desulfo-5-methylsulfanylpentyl GL|desulfoglucoberteroin|DS-GBE
COC1=C(OC)C2=C(C=C(C(OC)=C3)O)C3=CC(N(C)CC3)=C2C3=C1
C20H21NO4 (339.14705060000006)
5,6-dihydro-3,10-dihydroxy-9,11-dimethoxy-8H-dibenzo[a,g]quinolizine-8-one|pendulamine B
(+-)-Amurensinin|(+-)-Reframin|(+-)-reframine|7,8-dimethoxy-13-methyl-10,11-dihydro-5H-10c,5r-azaethano-benzo[4,5]cyclohepta[1,2:4,5]benzo[1,2-d][1,3]dioxole|Me ether-(??)-Reframoline|Reframin
C20H21NO4 (339.14705060000006)
(S)-11,12-dimethoxy-7-methyl-6a,7,8,9-tetrahydro-6H-benzo[de][1,3]dioxolo[4,5:5,6]benzo[1,2-g]quinoline
C20H21NO4 (339.14705060000006)
2-(7-Methoxy-1,3-benzodioxol-5-yl)-8-methoxy-1-methylquinolin-4(1H)-one
(4S,5S,11S)-5-O-(beta-D-Xylopyranosyl)streptazolin
C16H21NO7 (339.13179560000003)
12,16-dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-aza-tricyclo[11.2.1.02,7]hexadec-1-ene-3,8-dione|phyllostictine D
3-(1,1-Dimethoxy-2-oxoethoxy)-9,10-dihydro-1-methoxy-9-oxo-4-acridinecarboxaldehyde
n,n-dimethyl-2-(2,3,4-trimethoxyphenanthren-1-yl)ethanamine
C21H25NO3 (339.18343400000003)
Tox21_302226
C17H22ClNO4 (339.1237282000001)
Papaverine
C20H21NO4 (339.14705060000006)
A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AD - Papaverine and derivatives G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.761 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.758
Methylergometrine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.459 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.457 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.450 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.451
[3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
C20H21NO4 (339.14705060000006)
[3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based on: CCMSLIB00000845926]
[3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based: Match]
N-[[(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)amino]carbonyl]-4-(hydroxymethyl)-Benzenesulfonamide
N-((4-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl)carbamoyl)-4-methylbenzenesulfonamide
N-((5-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl)carbamoyl)-4-methylbenzenesulfonamide
Rutagravine
1-Hydroxyrutacridone epoxide
20-Hydroxyrutacridone epoxide
N-Methoxycarbonyl-N-nornuciferine
C20H21NO4 (339.14705060000006)
Litebamine
C20H21NO4 (339.14705060000006)
Dehydropipernonaline
C21H25NO3 (339.18343400000003)
3-[[2-(4-cyclopentylphenoxy)acetyl]amino]benzoic acid
C20H21NO4 (339.14705060000006)
4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol
C19H21N3OS (339.14052560000005)
1-CBZ-4-(4-CARBOXY-PHENYL)-PIPERIDINE
C20H21NO4 (339.14705060000006)
Mofezolac
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
3-[2-oxo-3-(4-propan-2-ylphenoxy)pyrrolidin-1-yl]benzoic acid
C20H21NO4 (339.14705060000006)
N-BOC-4-(P-CHLOROPHENYL)-4-PIPERIDINE CARBOXYLIC ACID
C17H22ClNO4 (339.1237282000001)
1-benzyl-3-methyl 6-methoxyindole-1,3-dicarboxylate
3-N-BOC-AMINO-1-[2-AMINO-1-(3-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE
3-N-BOC-AMINO-1-[2-AMINO-1-(4-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE
5-METHOXY-4-(PIPERIDINE-1-CARBONYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C20H21NO4 (339.14705060000006)
TERT-BUTYL 3-(3-(BENZYLOXY)PHENYL)AZETIDINE-1-CARBOXYLATE
C21H25NO3 (339.18343400000003)
1-(3-(4-AMINOPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-2-(3,4-DIMETHOXYPHENYL)ETHANONE
Poly(oxy-1,2-ethandiyl), alpha-decyl-omega-hydroxy-, phosphat, Kaliumsalz
(3R,4S)-1-BENZOYL-3-((2-METHOXYPROPAN-2-YL)OXY)-4-PHENYLAZETIDIN-2-ONE
C20H21NO4 (339.14705060000006)
tert-butyl 4-tosylpiperidine-1-carboxylate
C17H25NO4S (339.15042100000005)
(3R,4S)-1-benzoyl-3-(2-ethoxyethoxy)-4-phenyl-2-azetidione
C20H21NO4 (339.14705060000006)
1H-Indole-2-carboxaldehyde,2,3-dihydro-2-hydroxy-1,3,3-trimethyl-,(4-methoxyphenyl)methylhydrazone
1-(T-BUTOXYCARBONYL)-4-(2-NITROIMIDAZOL-1-YLACETYL)PIPERAZINE
C14H21N5O5 (339.15426160000004)
cocaine Hcl
C17H22ClNO4 (339.1237282000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Piperilate
C21H25NO3 (339.18343400000003)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
Piperazine, 1-[1-[(4-chloro-2-fluorophenyl)methyl]-4-piperidinyl]-2-ethyl-, (2S)
Panipenem
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
2-((4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)AMINO)-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE
4-Ethyl-3-methyl-1-phenyl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one
1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride
C18H26ClNO3 (339.16011160000005)
(S)-Tetrahydro-1,3,3-triphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxaborole
Alogliptin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-
(4-(naphthalen-1-yl(phenyl)amino)phenyl)boronic acid
C22H18BNO2 (339.14305179999997)
2-[4-(3-phenylquinoxalin-2-yl)phenyl]propan-2-amine
6-amino-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
C21H25NO3 (339.18343400000003)
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-chlorobenzyl)pyrrolidine-2-carboxylic acid
C17H22ClNO4 (339.1237282000001)
Cyprazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
azanium,cumene,furan-2,5-dione,styrene
C21H25NO3+ (339.18343400000003)
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline
C20H21NO4 (339.14705060000006)
(R)-Tetrahydro-1,3,3-triphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxaborole
3-(3-(4-(2-METHOXYETHOXY)PHENYL)ISOXAZOL-5-YL)BENZOIC ACID
(R)-3-((BENZYLOXY)AMINO)-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID
4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)MORPHOLINE HYDROCHLORIDE
4-(TERT-BUTYLAMINO)SULFONYLPHENYLBORONIC ACID PINACOL ESTER
3-[(2-hydroxyethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
Loxoribine
C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2554 - Vaccine Adjuvant C2140 - Adjuvant Loxoribine (7-Allyl-8-oxoguanosine) is a guanosine analog with anti-viral and anti-tumor activities. Loxoribine is an orally bioavailable and selective Toll-like receptor (TLR) 7 agonist[1][2][3].
3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-(N-(tert-butyl)sulfamoyl)phenyl)boronate
2-butyl-6-methyl-3-(4-nitrobenzyl)-3H-imidazo[4,5-b]pyridin-5-amine
(3R,3aR,4S,4aR,7R,8aR,9aR)-7-[(Ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid
2-((6-(3-aMinopiperidin-1-yl)-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)benzonitrile
N6-Trifluoroacetyl-L-lysyl-L-proline
C13H20F3N3O4 (339.14058360000007)
3-(4-MORPHOLINOMETHYL)-PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE
1H-Benz[de]isoquinoline-1,3(2H)-dione,5-nitro-2-[2-(1-pyrrolidinyl)ethyl]-
(3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
C20H21NO4 (339.14705060000006)
Sulfoxonium, dimethyl-, (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-4-phenylbutylide
C17H25NO4S (339.15042100000005)
4-Cyanophenyl 4-(2-butoxyethoxy)benzoate
C20H21NO4 (339.14705060000006)
ETHYL 4-(4-PENTYLOXYBENZYLIDENEAMINO)BENZOATE
C21H25NO3 (339.18343400000003)
2-[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPOXY]-BENZOIC ACID METHYL ESTER
tert-Butyl (1-(2-fluoro-6-nitrophenyl)piperidin-4-yl)carbamate
C16H22FN3O4 (339.15942640000003)
Tofimilast
C18H21N5S (339.15175860000005)
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Edivoxetine
C18H26FNO4 (339.18457680000006)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
5-Cyano-Furan-2-Carboxylic Acid [5-Hydroxymethyl-2-(4-Methyl-Piperidin-1-Yl)-Phenyl]-Amide
3-Fluoro-N-1H-indol-5-YL-5-morpholin-4-ylbenzamide
2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-methylamino]quinazoline
Benthiavalicarb
C15H18FN3O3S (339.1052850000001)
D016573 - Agrochemicals D010575 - Pesticides
(4-Fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone
2-(1-azepanyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethoxyindole-2,3-dione
Propyromazine
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Benzoic acid [[1-(4-nitrophenyl)-4-piperidinylidene]amino] ester
8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
3-[[2-(6-Methoxy-3-benzofuranyl)-1-oxoethyl]amino]benzoic acid methyl ester
3-(4-methoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
C19H21N3OS (339.14052560000005)
3-[[(3-Methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxylic acid ethyl ester
2-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol
C21H25NO3 (339.18343400000003)
(3r,4r)-4-(Pyrrolidin-1-Ylcarbonyl)-1-(Quinoxalin-2-Ylcarbonyl)pyrrolidin-3-Amine
1-{(1R,2S)-2-Hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1H-imidazone-4-carboxamide
3-(Hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
(2r,3r,4r,5r)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Oxopiperidin-3-Yl Beta-D-Glucopyranoside
Pavacot
C20H21NO4 (339.14705060000006)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AD - Papaverine and derivatives G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
N1-(2-aminophenyl)-N8-phenyloctanediamide
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
N(G)-Nitroarginine-4-nitroanilide
(2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile
Panipenem
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-(3-methylbut-2-en-1-yl)phenolate
C20H19O5- (339.12324240000004)
N(2),N(5)-dibenzoyl-L-ornithinate
C19H19N2O4- (339.13447540000004)
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-5-olate
C20H19O5- (339.12324240000004)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylic acid
2-[1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethyl dihydrogen phosphate
C14H20N4O4P+ (339.12221100000005)
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-prop-2-enyl-3H-purine-6,8-dione
2-[[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]amino]propanoic acid
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
sophoraflavanone B(1-)
C20H19O5- (339.12324240000004)
Conjugate base of sophoraflavanone B arising from deprotonation of the 7-hydroxy group.
(2S)-2-amino-N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]propanamide
D009676 - Noxae > D000477 - Alkylating Agents > D000590 - Amino Acid Chloromethyl Ketones
3-(Dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
2-[[4-(2,4-Dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
5-(4-Fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
4-benzyl-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide
4-[4-(3-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
1-(3-Cyano-7-methoxy-2-quinolinyl)-4-piperidinecarboxylic acid ethyl ester
N-(5-methyl-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-thiophenecarboxamide
N-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
N-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]hexanediamide
1-(3-Chloro-4-fluorophenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyrrolidinone
(1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride
C17H22ClNO4 (339.1237282000001)
N-[1-(1-hexyl-2-benzimidazolyl)ethyl]-2-furancarboxamide
3-(Phenoxymethyl)-2-benzofurancarboxylic acid (1-amino-1-oxopropan-2-yl) ester
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone
C21H25NO3 (339.18343400000003)
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3,5-dimethylphenyl)acetamide
N-(3,4-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide
3-(4-tert-butylphenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
C18H21N5S (339.15175860000005)
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
C17H29N3O2S (339.19803740000003)
4-Hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
C21H25NO3 (339.18343400000003)
8-Methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[4,3-c]pyrazol-4-one
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-N-prop-2-enylacetamide
N-[(E)-1-(3-Acetamidophenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
8-Benzyl-4-pyridin-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one
C19H21N3OS (339.14052560000005)
1-(2-Methyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester
N-(4-cyclohexylphenyl)-2-(4-methylphenyl)sulanylacetamide
4-[4-[(4-Methoxyphenyl)methyl]-1-piperidinyl]thieno[2,3-d]pyrimidine
C19H21N3OS (339.14052560000005)
(5E)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
C19H21N3OS (339.14052560000005)
2-(1,1-Dimethylpiperidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenylethanolate
C21H25NO3 (339.18343400000003)
(2R,3S,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C19H21N3OS (339.14052560000005)
(2S,3S,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C19H21N3OS (339.14052560000005)
(2S,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C19H21N3OS (339.14052560000005)
(2S,3R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C19H21N3OS (339.14052560000005)
(2S,3S,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C19H21N3OS (339.14052560000005)
1-[(2S,3S,4R)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone
3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]propanamide
N-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]hexanediamide
(2R,3R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C19H21N3OS (339.14052560000005)
(2R,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C19H21N3OS (339.14052560000005)
1-[(2R,3R,4S)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone
1-[(2S,3R,4S)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone
Estra-1,3,5(10)-triene-16,17-dione, 3-(2-propenyloxy)-, 16-oxime
C21H25NO3 (339.18343400000003)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-tert-butyl-N-[(E)-pyridin-4-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
6-tert-butyl-N-[(E)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
1-[(1S,2S)-2-[(3-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]triazole
2-(5-cyano-1,4-dimethyl-6-oxopyridin-2-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
PERAZINE
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
desmethylxanthohumol(1-)
A phenolate anion that is the conjugate base of xanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
5-(N(6)-L-lysine)-L-tyrosylquinone
An L-lysine derivative in which one of the amino hydrogens at N(6)-amino is substituted by a 6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl group.
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
C21H25NO3 (339.18343400000003)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
perivine(1+)
A secondary ammonium ion that is the conjugate acid of perivine obtained by protonation of the secondary amino group; major species at pH 7.3.
O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester
The O-hydroxy(phenyl)phosphinoyl derivative of ecgonine methyl ester.
2-Methyl-3-morpholino-1,1-diphenylpropane-carboxylic acid
C21H25NO3 (339.18343400000003)
Aptiganel (hydrochloride)
C20H22ClN3 (339.15021620000005)
Aptiganel hydrochloride (Cerestat) is a non-competitive NMDA receptor antagonist with neuroprotective effect.
HJC0197
C19H21N3OS (339.14052560000005)
HJC0197 is a potent Epac1 (exchange protein directly activated by cAMP 1) and Epac2 (IC50=5.9 μM for Epac2) antagonist. HJC0197 selectively blocks cAMP-induced Epac activation. HJC0197 inhibits Epac1-mediated Rap1-GDP exchange activity at 25 μM in the presence of equal concentration of cAMP[1].
KYP-2047
KYP-2047 is a potent and BBB-penetrating prolyl-oligopeptidase (POP) inhibitor, with an Ki value of 0.023 nM. KYP-2047 reduces glioblastoma proliferation through angiogenesis and apoptosis modulation[1][2].
SEN12333
SEN 12333 (WAY-317538) is a potent, selective and orally active α7 nAChR agonist. SEN12333 displays high affinity for the rat α7 nAChRs expressed in GH4C1 cells (K>i=260 nM) and acts as full agonist in functional Ca2+ flux studies (EC50=1.6 μM). SEN 12333 is used for AD and schizophrenia research[1].
SIBA
C14H21N5O3S (339.1365036000001)
SIBA (5'-Isobutylthioadenosine) is a transmethylation inhibitor (SAH (HY-19528) analogue), with potent anti-proliferative activity. SIBA reversibly inhibits the production of HSV-1 by blocking methylation, specifically by blocking the 5' end-capping of viral mRNA. SIBA also inhibits the growth of tumour cells in vitro and metastatic spread in vivo. SIBA can be used in cancer, HSV-1 infection and anti-malaria studies[1][2][3].
VU6010572
VU6010572 is a potent and selective mGlu3 negative allosteric modulator with IC50 of 245 nM. VU6010572 is highly CNS penetrant[1][2].
10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl 1-methylpyrrolidine-2-carboxylate
3,10-dihydroxy-2,4-dimethoxy-7,8-dihydro-6-azatetraphen-5-one
17,18-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C20H21NO4 (339.14705060000006)
(13r)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaene
C20H21NO4 (339.14705060000006)
18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaene
C20H21NO4 (339.14705060000006)
(1r,12s)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol
2-methoxy-5-methyl-6-[(1e,3e)-3-methyl-4-(1h-pyrrol-2-yl)buta-1,3-dien-1-yl]-3-(2-methylbut-3-en-2-yl)pyran-4-one
C21H25NO3 (339.18343400000003)
4-(1h-indol-3-yl)-6-(1h-indol-3-ylmethyl)pyridin-3-ol
15,16-dimethoxy-8,10-dimethyl-11-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-5,14-diol
C20H21NO4 (339.14705060000006)
(1r,24r)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaen-24-ol
(6z)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,3,5-triol
(12r)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C20H21NO4 (339.14705060000006)
17-hydroxy-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one
methyl (9r)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate
C20H21NO4 (339.14705060000006)
6,7,11-trihydroxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one
(12s,13s)-13,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C20H21NO4 (339.14705060000006)
(7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate
23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol
9-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one
C21H25NO3 (339.18343400000003)
4,5,16-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.0³,⁸.0¹³,¹⁷]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
4-(2-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
(1s,10z)-6-hydroxy-4,5,6,13-tetramethyl-2,8-dioxa-13-azabicyclo[8.5.1]hexadec-10-ene-3,7,16-trione
17-methoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaen-16-ol
C20H21NO4 (339.14705060000006)