Exact Mass: 339.1504
Exact Mass Matches: 339.1504
Found 500 metabolites which its exact mass value is equals to given mass value 339.1504,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sinactin
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
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
(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
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
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
Eschscholtzidine
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
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].
(R)-Canadine
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
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.
N-Methoxycarbonyl-N-nornuciferine
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
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
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
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
(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
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
n2-(1-Carboxyethyl)-2'-deoxyguanosine
Edivoxetine
Loxoribine
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
L-CBN
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
3-(2-hydroxyethyl)-1H-indole-5-O-beta-D-glucopyranoside
2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
[[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
(+/-)-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
(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
(+-)-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
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
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
(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
2-(7-Methoxy-1,3-benzodioxol-5-yl)-8-methoxy-1-methylquinolin-4(1H)-one
(4S,5S,11S)-5-O-(beta-D-Xylopyranosyl)streptazolin
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
Tox21_302226
Papaverine
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
[3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
[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
Litebamine
Dehydropipernonaline
3-[[2-(4-cyclopentylphenoxy)acetyl]amino]benzoic acid
4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol
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
N-BOC-4-(P-CHLOROPHENYL)-4-PIPERIDINE CARBOXYLIC ACID
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
TERT-BUTYL 3-(3-(BENZYLOXY)PHENYL)AZETIDINE-1-CARBOXYLATE
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
(3R,4S)-1-benzoyl-3-(2-ethoxyethoxy)-4-phenyl-2-azetidione
1-(T-BUTOXYCARBONYL)-4-(2-NITROIMIDAZOL-1-YLACETYL)PIPERAZINE
cocaine Hcl
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
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
(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
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
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-chlorobenzyl)pyrrolidine-2-carboxylic acid
Cyprazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(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
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
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
Sulfoxonium, dimethyl-, (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-4-phenylbutylide
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
Edivoxetine
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
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
3-[[(3-Methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxylic acid ethyl ester
2-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol
(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
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
N(G)-Nitroarginine-4-nitroanilide
Panipenem
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-(3-methylbut-2-en-1-yl)phenolate
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-5-olate
(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
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-)
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
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
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
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
4-Hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
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
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
(5E)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
2-(1,1-Dimethylpiperidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenylethanolate
(2R,3S,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2S,3S,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2S,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2S,3R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2S,3S,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
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
(2R,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
Estra-1,3,5(10)-triene-16,17-dione, 3-(2-propenyloxy)-, 16-oxime
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
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
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
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
Aptiganel (hydrochloride)
Aptiganel hydrochloride (Cerestat) is a non-competitive NMDA receptor antagonist with neuroprotective effect.
HJC0197
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].
SIBA
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].
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
(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
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
(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
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
(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
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
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
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
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
(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
6,7,8,14-tetramethoxy-2-azatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-ol
(?)-12-hydroxycrychine
{"Ingredient_id": "HBIN000876","Ingredient_name": "(?)-12-hydroxycrychine","Alias": "NA","Ingredient_formula": "C19H17NO5","Ingredient_Smile": "CN1C2CC3=CC4=C(C=C3C1(CC5=CC6=C(C=C25)OCO6)O)OCO4","Ingredient_weight": "339.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9946","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101148425","DrugBank_id": "NA"}
1,3,5-trihydroxy-2-prenylacridone; n,5-di-me
{"Ingredient_id": "HBIN001066","Ingredient_name": "1,3,5-trihydroxy-2-prenylacridone; n,5-di-me","Alias": "NA","Ingredient_formula": "C20H21NO4","Ingredient_Smile": "NA","Ingredient_weight": "339.39","OB_score": "NA","CAS_id": "139219-97-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9558","PubChem_id": "NA","DrugBank_id": "NA"}
7-angeloyl-9-(2,3-dihydroxylbutyryl)heliotridine
{"Ingredient_id": "HBIN013049","Ingredient_name": "7-angeloyl-9-(2,3-dihydroxylbutyryl)heliotridine","Alias": "NA","Ingredient_formula": "C17H25NO6","Ingredient_Smile": "CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)O","Ingredient_weight": "339.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41159","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91748011","DrugBank_id": "NA"}
amurensinine
{"Ingredient_id": "HBIN015921","Ingredient_name": "amurensinine","Alias": "NA","Ingredient_formula": "C20H21NO4","Ingredient_Smile": "CN1CC2C3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4","Ingredient_weight": "339.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1096","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10958724","DrugBank_id": "NA"}
(-)-amurensinine
{"Ingredient_id": "HBIN015922","Ingredient_name": "(-)-amurensinine","Alias": "NA","Ingredient_formula": "C20H21NO4","Ingredient_Smile": "CN1CC2C3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37364","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
