Exact Mass: 385.2074
Exact Mass Matches: 385.2074
Found 443 metabolites which its exact mass value is equals to given mass value 385.2074,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Buspirone
Buspirone is only found in individuals that have used or taken this drug. It is an anxiolytic agent and a serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the benzodiazepines, but it has an efficacy comparable to diazepam. [PubChem]Buspirone binds to 5-HT type 1A serotonin receptors on presynaptic neurons in the dorsal raphe and on postsynaptic neurons in the hippocampus, thus inhibiting the firing rate of 5-HT-containing neurons in the dorsal raphe. Buspirone also binds at dopamine type 2 (DA2) receptors, blocking presynaptic dopamine receptors. Buspirone increases firing in the locus ceruleus, an area of brain where norepinephrine cell bodies are found in high concentration. The net result of buspirone actions is that serotonergic activity is suppressed while noradrenergic and dopaminergic cell firing is enhanced. CONFIDENCE standard compound; INTERNAL_ID 520; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6951; ORIGINAL_PRECURSOR_SCAN_NO 6950 CONFIDENCE standard compound; INTERNAL_ID 520; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6947; ORIGINAL_PRECURSOR_SCAN_NO 6945 CONFIDENCE standard compound; INTERNAL_ID 520; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6914; ORIGINAL_PRECURSOR_SCAN_NO 6912 CONFIDENCE standard compound; INTERNAL_ID 520; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6879; ORIGINAL_PRECURSOR_SCAN_NO 6877 CONFIDENCE standard compound; INTERNAL_ID 520; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6955; ORIGINAL_PRECURSOR_SCAN_NO 6953 CONFIDENCE standard compound; INTERNAL_ID 520; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6922; ORIGINAL_PRECURSOR_SCAN_NO 6920 D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BE - Azaspirodecanedione derivatives D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Buspirone is an orally active 5-HT1A receptor agonist, and a dopamine D2 autoreceptorsant antagonist. Buspirone is an anxiolytic agent, and can be used for the generalized anxiety disorder research[1].
O-methylandrocymbine
O-Methylandrocymbine is an isoquinoline alkaloid. O-methylandrocymbine has been reported in Colchicum ritchii, Colchicum schimperi, and Colchicum szovitsii
Vernakalant hydrochloride
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent C93038 - Cation Channel Blocker
Thalicpureine
Thalicpureine is found in beverages. Thalicpureine is an alkaloid from the leaves of Annona purpurea (soncoya). Alkaloid from the leaves of Annona purpurea (soncoya). Thalicpureine is found in beverages and fruits.
Tridec-8-enedioylcarnitine
Tridec-8-enedioylcarnitine is an acylcarnitine. More specifically, it is an tridec-8-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Tridec-8-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine Tridec-8-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
Tridec-10-enedioylcarnitine
Tridec-10-enedioylcarnitine is an acylcarnitine. More specifically, it is an tridec-10-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Tridec-10-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine Tridec-10-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
Tridec-11-enedioylcarnitine
Tridec-11-enedioylcarnitine is an acylcarnitine. More specifically, it is an tridec-11-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Tridec-11-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine Tridec-11-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
(6E)-Tridec-6-enedioylcarnitine
(6E)-Tridec-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an (6E)-tridec-6-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (6E)-Tridec-6-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (6E)-Tridec-6-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
(9E)-Tridec-9-enedioylcarnitine
(9E)-Tridec-9-enedioylcarnitine is an acylcarnitine. More specifically, it is an (9E)-tridec-9-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (9E)-Tridec-9-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (9E)-Tridec-9-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
(R)-N-(1-Methyl-2-phenylethyl)adenosine
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents
4'-Hydroxycilostazol, trans-
Bamifylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Bifeprunox
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
8-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl)-8-azaspiro[4.5]decane-7,9-dione
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Isopropylphenyladenosine
Minoxidil Glucuronide
n6-phenylisopropyladenosine
Stachyflin
BAMIFYLLINE
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Amisulpride N-Oxide
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3399 CONFIDENCE standard compound; INTERNAL_ID 2143
(5-(3-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
(5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
N2-(N2-L-Pyroglutamyl-L-glutaminyl)-L-glutamin|N2-(N2-L-pyroglutamyl-L-glutaminyl)-L-glutamine
1-Methoxy-3-[3,5-dimethyl-6-(1-methylpropyl)tetrahydro-2H-pyran-2-yl]-4-hydroxy-5-phenylpyridine-2(1H)-one
methyl 7-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-L-glycero-alpha-D-manno-heptopyranoside
(5RS)-3-methyl-5-{(1SR,2SR,3aRS,10bRS)-1-methyl-8-[(2SR,4SR)-4-methyl-5-oxotetrahydrofuran-2-yl]-1,3a,4,5,6,10b-hexahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-yl}furan-2(5H)-one|bisdehydrostemocochinine
methyl 4-[(E)-2-acetyl-4-oxoundec-1-enyl]-6-[(E)-prop-1-enyl]-nicotinate|monascopyridine F|Monasnicotinate C
4,6-dihydroxy-5-[(2E,6E)-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)oxy]-2,3-dihydro-1H-isoindol-1-one|emeriphenolicin F
(S)-7-Dimethylamino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-on|(S)-7-dimethylamino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one|N,N-Dimethyl-desacetyl-colchicin|N,N-dimethyldeacetylcolchicine|N-Methyl-demecolcin|N-methyldemecolcine|N-Methyldemecolcine.|N-methyldemocolcine
2-acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-D-galactitol|2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactitol|beta-D-Gal-(1->3)-D-GalNAcol|beta-D-Galp(1->3)-D-GalNAc-ol|beta-Gal-(1-3)-GalNAc-ol
buspirone
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BE - Azaspirodecanedione derivatives D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Buspirone is an orally active 5-HT1A receptor agonist, and a dopamine D2 autoreceptorsant antagonist. Buspirone is an anxiolytic agent, and can be used for the generalized anxiety disorder research[1].
(1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl)methanol
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.682 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.677
C23H31NO4_Spiro[2H-furo[2,3-e]isoindole-2,1(2H)-naphthalen]-6(3H)-one, 3,4,4a,5,6,7,7,8,8,8a-decahydro-4,6-dihydroxy-2,5,5,8a-tetramethyl-, (2R,2R,6R,8aS)
(3R,7R,8R,8aS)-3,4-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2-7,8-dihydro-3H-furo[2,3-e]isoindole]-6-one
Ala Ala Lys Pro
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Thalicpureine
A phenanthrene substituted by a 2-(methylamino)ethyl group at position 1 and by methoxy groups at positions 2,3,4,6 and 7, respectively. It is a plant metabolite isolated from Annona purpurea and Fagonia olivieri.
(S)-4-(4-(BENZYLOXY)PHENYL)-3-((TERT-BUTOXYCARBONYL)AMINO)BUTANOIC ACID
(4S,5S)-1,3-DIMETHYL-4,5-DIPHENYL-2-[(R)-1-BENZYL-2-HYDROXYETHYLIMINO]IMIDAZOLIDINE
(R)?-?PIA
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents
BOC-(3S,4S)-4-AMINO-3-HYDROXY-5-(4-PHENYL)PHENYLPENTANOICACID
(5-(4-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1-Biphenyl]-2-carbonitrile
(4R,5S)-1-BENZYL-4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(7-Methoxy-1-naphthyl)-N-[2-(7-methoxy-1-naphthyl)ethyl]ethanamine
5-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione
tert-Butyl 4-acetyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
2,2,2-TRIFLUORO-1-(4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZIN-1-YL)ETHANONE
3-{isopropyl[(Trans-4-Methylcyclohexyl)carbonyl]amino}-5-Phenylthiophene-2-Carboxylic Acid
Methylsamidorphan
C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
4-[[[4-(9H-fluoren-9-yl)-1-piperazinyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
1-[4-(2-pyridinyl)-1-piperazinyl]-2-(9H-xanthen-9-yl)ethanone
N2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-4-(3-methoxypropyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one
(S)-N-(4-Carbamimidoylbenzyl)-1-(2-(Cyclohexylamino)ethanoyl)pyrrolidine-2-Carboxamide
(4as)-5-[(2,4-Diaminopteridin-6-Yl)methyl]-4a,5-Dihydro-2h-Dibenzo[b,F]azepin-8-Ol
N-[(3S)-3-hydroxy-4-oxo-4-(propylamino)butanoyl]-L-isoleucyl-L-proline
[N-(3-Dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid
3-Hydroxy-16-methoxy-2,3-dihydrotabersoninium
An indole alkaloid cation that is the conjugate acid of 3-hydroxy-16-methoxy-2,3-dihydrotabersonine, obtained by protonation of the tertiary amino function; major species at pH 7.3.
1-[2-(Diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
5-[(4-Methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester
8-[(1-Cyclohexyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
2-[4-(Cyclohexylamino)-3-nitrophenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
3-[(2-Adamantylamino)-oxomethyl]-1-methylsulfonyl-1-pentylurea
{3-(3-chlorobenzyl)-1-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]piperidin-3-yl}methanol
{3-(3-chlorobenzyl)-1-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-3-yl}methanol
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine
1-[3-[2-(Dimethylamino)ethylamino]-3-oxopropyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester
N-[(cyclohexylamino)-oxomethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide
(5Z)-5-[(1S,4S,5R,6S,8S,9S,13S)-9-[(E)-but-1-enyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
1-[4-[4-(4-Methyl-1-piperazinyl)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
[(2S,3S,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
5-(3-Cyclohexyl-1-pyrrolidinyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazine
[(2R,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
1-[[(2R,3R,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-3-propan-2-ylurea
1-[(1R)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2R,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
1-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-3-propan-2-ylurea
(2S,3S,4R)-2-(acetamidomethyl)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
[(3aS,4R,9bS)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
[(1R)-7-methoxy-9-methyl-1-(4-oxanylmethyl)-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
(2S,3R)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide
2-(dimethylamino)-1-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
[(2S,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
(2S,3R,4R)-2-(acetamidomethyl)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
[(3aR,4S,9bR)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
[(3aR,4R,9bR)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
[(1R,5S)-7-[4-(2-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyridin-4-ylmethanone
(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
(2S,3R)-2-(hydroxymethyl)-3-phenyl-N-propyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2R,3R)-2-(hydroxymethyl)-3-phenyl-N-propyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-1-carboxamide
[(1S)-7-methoxy-9-methyl-1-(4-oxanylmethyl)-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-1-butanone
(2S,3R)-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2S,3S)-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2R,3R)-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2S,3S)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide
2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucitol
Methyl (1S,9R,10S,12S,15R)-13-ethenyl-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
jacoline N-oxide
A pyrrolizine alkaloid that is jacoline in which the tertiary amino function has been oxidised to the corresponding N-oxide.
3-ethyl-2-[7-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzoxazol-3-ium
2-[(1E,3E,5E)-7-[3-Ethylbenzoxazole-2(3H)-ylidene]-1,3,5-heptatrienyl]-3-ethylbenzoxazole-3-ium
2-aminoethyl 4-O-beta-D-glucopyranosyl-alpha-D-glucopyranoside
2-acetamido-2-deoxy-3-O-D-galactopyranosyl-D-galactitol
N-[(2S,3R,4R,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
N-[(2S,3R,4S,5R)-1,3,4,5-Tetrahydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
(5S,6Z,8E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoate
2-aminoethyl 4-O-alpha-D-glucopyranosyl-alpha-D-galactopyranoside
8-[3-hydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxynonanoate
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
8-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl)-8-azaspiro[4.5]decane-7,9-dione
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents
MLS1082
MLS1082 is a pyrimidone-based D1-like dopamine receptor positive allosteric modulator, with an EC50 of 123 nM for DA-stimulated G protein signaling[1].
ZT-12-037-01
ZT-12-037-01 is a STK19-targeted inhibitor, has a high-affinity interaction with STK19 protein and inhibits oncogenic NRAS-driven melanocyte malignant transformation. ZT-12-037-01 is an ATP-competitive inhibitor, inhibiting phosphorylation of NRAS (major isoform of Ras family) with an IC50 of 24 nM[1].
methyl (1r,3r,4r,14s)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-1(17),2(7),3,5,14(18),15-hexaen-17-ol
2-(4,8-dimethylnona-3,7-dien-1-yl)-2-methyl-3h,4h,9h-pyrano[2,3-e]isoindole-3,5,7-triol
(e,2e)-3-(7-methoxy-1-methylindol-3-yl)-n-[(1e)-2-(1-methylindol-3-yl)ethenyl]prop-2-enimidic acid
5-[(1r,3e,4r,5s,6r,8r,9r,13s)-9-[(1e)-but-1-en-1-yl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
methyl 2-hydroxy-5,20-dimethyl-9-oxa-3-azaheptacyclo[9.8.1.1¹,¹⁴.0²,⁶.0³,¹⁰.0⁸,²⁰.0¹⁷,²¹]henicos-14(21)-ene-18-carboxylate
(2e)-3-(3,4-dimethoxyphenyl)-n-[2-(3,4-dimethoxyphenyl)ethyl]-n-methylprop-2-enamide
3,4,5,17-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-1(17),2(7),3,5,14(18),15-hexaen-16-ol
methyl (1'r,5's,11'r,12'r)-6-ethyl-3'-methyl-9'-oxo-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
methyl (1r,3r,4r,10s,14s,19r)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
(2z,4e,7r,8s,9s,10r)-9-hydroxy-8,10-dimethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}dodeca-2,4-dienimidic acid
(2r,2'r,4'as,6's,8'as)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',8-triol
(10s)-10-(dimethylamino)-3,4,5,14-tetramethoxytricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-13-one
2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',8-triol
(2r,2's,4'as,6'r,8'as)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',8-triol
5-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-3h-isoindole-1,4,6-triol
(1s,9r,10s,12s,13e,15s,18s)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-18-(methoxycarbonyl)-15-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-trien-15-ium
bisdehydrostemoninine
{"Ingredient_id": "HBIN018615","Ingredient_name": "bisdehydrostemoninine","Alias": "NA","Ingredient_formula": "C22H27NO5","Ingredient_Smile": "CCC1C2C(CCCN3C2=CC=C3C4CC(C(=O)O4)C)OC15C=C(C(=O)O5)C","Ingredient_weight": "385.5 g/mol","OB_score": "38.50614129","CAS_id": "NA","SymMap_id": "SMIT10519","TCMID_id": "NA","TCMSP_id": "MOL009380","TCM_ID_id": "NA","PubChem_id": "11842856","DrugBank_id": "NA"}
