Exact Mass: 311.11575220000003
Exact Mass Matches: 311.11575220000003
Found 500 metabolites which its exact mass value is equals to given mass value 311.11575220000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Leonurine
Leonurine is a trihydroxybenzoic acid. Leonurine is a natural product found in Leonotis leonurus and Leonurus sibiricus with data available. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory.
Taxiphyllin
(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available. Dhurrin is found in borage. Cyanogenic glucoside isolated from Sorghum vulgare (sorghum) Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide Cyanogenic glucoside of Macadamia ternifolia. Taxiphyllin is found in many foods, some of which are naranjilla, bayberry, celeriac, and red beetroot.
nalorphine
C19H21NO3 (311.15213560000007)
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
IMAZAQUIN
C17H17N3O3 (311.12698520000004)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7950; ORIGINAL_PRECURSOR_SCAN_NO 7948 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7948; ORIGINAL_PRECURSOR_SCAN_NO 7947 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3770; ORIGINAL_PRECURSOR_SCAN_NO 3769 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3779; ORIGINAL_PRECURSOR_SCAN_NO 3778 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3762; ORIGINAL_PRECURSOR_SCAN_NO 3761 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7947; ORIGINAL_PRECURSOR_SCAN_NO 7945 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3761; ORIGINAL_PRECURSOR_SCAN_NO 3760 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7928; ORIGINAL_PRECURSOR_SCAN_NO 7927 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7919; ORIGINAL_PRECURSOR_SCAN_NO 7918 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7962; ORIGINAL_PRECURSOR_SCAN_NO 7957 CONFIDENCE standard compound; INTERNAL_ID 1252; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3745; ORIGINAL_PRECURSOR_SCAN_NO 3744 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3711
(-)-Thebaine
C19H21NO3 (311.15213560000007)
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics (-)-Thebaine is a minor constituent of opiu
Isothebaine
C19H21NO3 (311.15213560000007)
(R)-Pronuciferine
C19H21NO3 (311.15213560000007)
Alkaloid from Nelumbo nucifera (East India lotus). (R)-Pronuciferine is found in many foods, some of which are poppy, coffee and coffee products, sacred lotus, and cherimoya. (R)-Pronuciferine is found in cherimoya. (R)-Pronuciferine is an alkaloid from Nelumbo nucifera (East India lotus
Acronydine
C18H17NO4 (311.11575220000003)
An organic heterotetracyclic compound that is 3H-furo[2,3-b]pyrano[3,2-f]quinoline carrying a gem-dimethyl group at position 3 as well as two methoxy substituents at positions 5 and 11.
Domoic acid
C15H21NO6 (311.13688060000004)
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents Isodomoic acid F is found in mollusks. Isodomoic acid F is isolated from mussels. Isolated from mussels. Isodomoic acid F is found in mollusks.
Isodomoic acid A
C15H21NO6 (311.13688060000004)
An L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a 6-carboxyhepta-2,5-dien-2-yl group at position 4. It is isolated from the red alga, Chondria armata. D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
Icilin
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D049990 - Membrane Transport Modulators > D062687 - Sodium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents
K-252c
D004791 - Enzyme Inhibitors
S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine
C13H17N3O4S (311.09397220000005)
Citalopram propionic acid
C18H14FNO3 (311.09576660000005)
Citalopram propionic acid is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)
Dhurrin
Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide. (Wikipedia) In biosynthesis of the cyanogenic glucoside dhurrin in Sorghum bicolor, the UDP-glucosyltransferase UGT85B1 catalyzes the conversion of p-hydroxymandelonitrile into dhurrin. (PMID: 16169969) In Sorghum, the cyanogenic glucoside dhurrin is derived from l-tyrosine in a pathway involving the two cytochromes P450 (CYPs) CYP79A1 and CYP71E1, a glucosyltransferase (UGT85B1), and the redox partner NADPH-dependent cytochrome P450 reductase (CPR). (PMID: 21620426) Synthesis of the tyrosine derived cyanogenic glucoside dhurrin in Sorghum bicolor is catalyzed by two multifunctional, membrane bound cytochromes P450, CYP79A1 and CYP71E1, and a soluble UDPG-glucosyltransferase, UGT85B1. In the presence of CYP79A1 and CYP71E1, the localization of UGT85B1 shifted towards the surface of the ER membrane in the periphery of biosynthetic active cells, demonstrating in planta dhurrin metabolon formation. (PMID: 17706731)
Tolazamide
C14H21N3O3S (311.13035560000003)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4274; ORIGINAL_PRECURSOR_SCAN_NO 4272 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4225; ORIGINAL_PRECURSOR_SCAN_NO 4223 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4245; ORIGINAL_PRECURSOR_SCAN_NO 4243 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4316; ORIGINAL_PRECURSOR_SCAN_NO 4314 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4224; ORIGINAL_PRECURSOR_SCAN_NO 4220 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8447; ORIGINAL_PRECURSOR_SCAN_NO 8445 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8470; ORIGINAL_PRECURSOR_SCAN_NO 8469 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8494; ORIGINAL_PRECURSOR_SCAN_NO 8491 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8497; ORIGINAL_PRECURSOR_SCAN_NO 8496 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8468; ORIGINAL_PRECURSOR_SCAN_NO 8463 CONFIDENCE standard compound; INTERNAL_ID 272; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8506; ORIGINAL_PRECURSOR_SCAN_NO 8504
N2N2-Dimethylguanosine
CONFIDENCE standard compound; INTERNAL_ID 311 N2,N2-Dimethylguanosine is an urinary nucleoside, a primary degradation product of tRNA. N2,N2-Dimethylguanosine is an urinary nucleoside, a primary degradation product of tRNA.
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine is an urinary nucleoside, a primary degradation product of tRNA. The mean levels of urinary N2,N2-Dimethylguanosine in the patients with colorectal cancer are significantly higher than those in patients with intestinal villous adenoma or the healthy adults (PMID 15991285). N2,N2-Dimethylguanosine has been identified in the human placenta (PMID: 32033212). N2,N2-Dimethylguanosine is an urinary nucleoside, a primary degradation product of tRNA. N2,N2-Dimethylguanosine is an urinary nucleoside, a primary degradation product of tRNA. N2,N2-Dimethylguanosine is an urinary nucleoside, a primary degradation product of tRNA.
Norisodomesticine
C18H17NO4 (311.11575220000003)
Norisodomesticine is found in herbs and spices. Norisodomesticine is an alkaloid from the leaves Laurus nobilis (bay laurel). Alkaloid from the leaves Laurus nobilis (bay laurel). Norisodomesticine is found in tea, sweet bay, and herbs and spices.
N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide
C19H21NO3 (311.15213560000007)
N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide is found in fruits. N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide is isolated from Aegle marmelos (bael). Isolated from Aegle marmelos (bael). N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide is found in fruits.
4-Hydroxybenzyl isothiocyanate rhamnoside
C14H17NO5S (311.08273920000005)
4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. 4-Hydroxybenzyl isothiocyanate rhamnoside is a constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. Constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. 4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
Furoparadine
Furoparadine is found in citrus. Furoparadine is an alkaloid from roots of Citrus paradisi (grapefruit). Alkaloid from roots of Citrus paradisi (grapefruit). Furoparadine is found in citrus.
Piperettine
C19H21NO3 (311.15213560000007)
Alkaloid from the dried fruits of Piper nigrum (pepper). Piperettine is found in herbs and spices and pepper (spice). Piperettine is found in herbs and spices. Piperettine is an alkaloid from the dried fruits of Piper nigrum (pepper
Annocherine B
C18H17NO4 (311.11575220000003)
Annocherine B is found in fruits. Annocherine B is an alkaloid from Annona cherimola (cherimoya Alkaloid from Annona cherimola (cherimoya). Annocherine B is found in fruits.
Lansamide 4
C19H21NO3 (311.15213560000007)
Lansamide 4 is found in fruits. Lansamide 4 is a constituent of Clausena lansium (wampee) Constituent of Clausena lansium (wampee). Lansamide 4 is found in fruits.
Launobine
C18H17NO4 (311.11575220000003)
Launobine is found in herbs and spices. Launobine is an alkaloid from Laurus nobilis (bay laurel
(S)-Nandigerine
C18H17NO4 (311.11575220000003)
(S)-Nandigerine is found in herbs and spices. (S)-Nandigerine is an alkaloid from Laurus nobilis (bay laurel). Alkaloid from Laurus nobilis (bay laurel). (S)-Nandigerine is found in tea, sweet bay, and herbs and spices.
(+)-Norushinsunine N-oxide
C18H17NO4 (311.11575220000003)
(+)-Norushinsunine N-oxide is an alkaloid from Cananga odorata (ylang ylang
1,7-Dimethylguanosine
1,7-dimethylguanosine is a modified ribonucleoside. 1,7-dimethylguanosine is formed in tRNA enzymatic methylation. 1,7-Dimethylguanosine was found to be formed in high amounts in the tRNA methylation reaction at high concentrations of methylating agents.1,7-dimethylguanosine has a possible connection to chemical cancerogenesis and to the aberrant increase of tRNA methylases activity in tumor tissues. The amount of 1,7-dimethylguanosine produced by the kidney is higher than that produced by the liver. The immediate precursor in the formation of 1,7-dimethylguanosine in tRNA appears to be 1-methylguanosine. An accumulation of modified ribonucleosides appears in the serum of uremic patients. (PMID: 7046770, 6164398, 7259877, 7159514, 9607216) [HMDB] 1,7-dimethylguanosine is a modified ribonucleoside. 1,7-dimethylguanosine is formed in tRNA enzymatic methylation. 1,7-Dimethylguanosine was found to be formed in high amounts in the tRNA methylation reaction at high concentrations of methylating agents.1,7-dimethylguanosine has a possible connection to chemical cancerogenesis and to the aberrant increase of tRNA methylases activity in tumor tissues. The amount of 1,7-dimethylguanosine produced by the kidney is higher than that produced by the liver. The immediate precursor in the formation of 1,7-dimethylguanosine in tRNA appears to be 1-methylguanosine. An accumulation of modified ribonucleosides appears in the serum of uremic patients. (PMID: 7046770, 6164398, 7259877, 7159514, 9607216).
Tolazamide
C14H21N3O3S (311.13035560000003)
Tolazamide is only found in individuals that have used or taken this drug. It is a sulphonylurea hypoglycemic agent with actions and uses similar to those of chlorpropamide. [PubChem]Sulfonylureas likely bind to ATP-sensitive potassium-channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Depolarization stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
Lansimide 3
C19H21NO3 (311.15213560000007)
Lansimide 3 is found in fruits. Lansimide 3 is a constituent of Clausena lansium (wampee)
N-(1-Deoxy-1-fructosyl)methionine
C11H21NO7S (311.10386760000006)
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)methionine is classified as a Natural Food Constituent (code WA) in the DFC.
Pyrrobutamine
C20H22ClN (311.14406820000005)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use Pyrrobutamine is an H1-antihistamine.
3,5-Bis(2-fluorobenzylidene)-4-piperidone
C19H15F2NO (311.11216440000004)
5-(N,N-Hexamethylene)amiloride
D000970 - Antineoplastic Agents
(S)-5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid
C12H13N3O7 (311.07534680000003)
Vephylline
C13H21N5O4 (311.15934660000005)
1-(4-Aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
C17H17N3O3 (311.12698520000004)
CFM-2 is a potent and selective non-competitive AMPAR antagonist[1]. CFM-2 possesses anticonvulsant activity in various models of seizures[2].
Chloramitriptyline
C20H22ClN (311.14406820000005)
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-piperidinoethyl)-
C18H21N3S (311.14561060000005)
10-((1-Methyl-3-piperidyl)methyl)-10H-pyrido(3,2-b)(1,4)benzothiazine
C18H21N3S (311.14561060000005)
4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan
Dothiepin sulfoxide
C19H21NOS (311.13437760000005)
Etamicastat
Lethidrone
C19H21NO3 (311.15213560000007)
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
Metamizol
C13H17N3O4S (311.09397220000005)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
Xanthinol
C13H21N5O4 (311.15934660000005)
(2S,3S,4S)-4-[(6S)-6-Carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
C15H21NO6 (311.13688060000004)
6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
D004791 - Enzyme Inhibitors
Zierin
Zierin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Zierin is soluble (in water) and a very weakly acidic compound (based on its pKa). Zierin can be found in black elderberry, which makes zierin a potential biomarker for the consumption of this food product.
Actinodaphnine
C18H17NO4 (311.11575220000003)
Actinodaphnine 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. Actinodaphnine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Actinodaphnine can be found in sweet bay, which makes actinodaphnine a potential biomarker for the consumption of this food product.
1-Methoxy-2,9-dihydroxy-3-(hydroxymethyl)dibenzo[cd,f]indole-4(5H)-one
Actinodaphnine
C18H17NO4 (311.11575220000003)
An organic heteropentacyclic compound 6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinoline bering additional hydroxy and methoxy substituents at positions 10 and 11 respectively.
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-(2-furyl)-6-(methylthio)pyrimidine-5-carbonitrile
C15H13N5OS (311.08407680000005)
3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
2-Methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Feruloyl dehydrotyramine (isomer of 1654)
C18H17NO4 (311.11575220000003)
Annotation level-3
(7aS)-10-methoxy-(7ar)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-8t-ol|Michelanugin|Michelanugine
C18H17NO4 (311.11575220000003)
1,3,5-Trihydroxy-4-prenyl-9,10-dihydroacridine-9-one
C18H17NO4 (311.11575220000003)
(-)-beta-8-methylpseudoanibacanine|(8S,13aS)-form-8-Methylpseudoanibacanine
C19H21NO3 (311.15213560000007)
1,2-dimethoxy-3-hydroxy-5-oxonoraporphine
C18H17NO4 (311.11575220000003)
1,10-dimethoxy-6-methyl-aporphan-11-ol|isothebaine
C19H21NO3 (311.15213560000007)
(-)-2-Hydroxy-3,8-dimethoxypavinane
C19H21NO3 (311.15213560000007)
15,16-methanediyldioxy-3alpha-methoxy-11a-homo-erythrina-1,6-diene|Schelhammeridin|Schelhammeridine
C19H21NO3 (311.15213560000007)
8,9,10-Trimethoxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]phenanthridine-7-one
C18H17NO4 (311.11575220000003)
Dehydro-isolongistrobin|Dehydroisolongistrobin
C17H17N3O3 (311.12698520000004)
1,2-Dihydro-1-(alpha-hydroxy-4-methoxybenzyl)-6,7-methylenedioxyisoquinoline|1,2-Dihydro-1-(hydroxy-p-methoxybenzyl)-6,7-methylenedioxyisoquinoline
C18H17NO4 (311.11575220000003)
5,6-dimethoxy-2-(3-methoxyphenyl)-1H-quinolin-4-one
C18H17NO4 (311.11575220000003)
5,7-Dimethoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone
C18H17NO4 (311.11575220000003)
(3,4-dihydroxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A1|[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acetonitrile
(Z)-4,6-dimethoxy-7-[(3-methylbuta-1,3-dienyloxy)]furo[2,3-b]quinoline|leptanoine B
C18H17NO4 (311.11575220000003)
5,7,8-trimethoxy-2,3-dihydroindeno[1,2,3-ij]isoquinoline-6-ol|caulophylline E
C18H17NO4 (311.11575220000003)
methyl 1-((2-methyl carbamate)ethyl)-beta-carboline-3-carboxylate
C17H17N3O3 (311.12698520000004)
2,9,10-trimethoxy-4H-pyrrolo[3,2,1-de]phenanthridin-7(5H)-one|lycosprenine
C18H17NO4 (311.11575220000003)
Di-Et dithioacetal,5,6-O-isopropylidene-D-2-Amino-2-deoxyglucose
(S)-Actinodaphnine|(??)-Actinodaphnine
C18H17NO4 (311.11575220000003)
5-deoxy-5-(ethylthio)adenosine|5-deoxy-5-ethylthioadenosine|5-Ethylthio-5-deoxyadenosin|5-Thioethyladenosin|Ethyl--sulfid|S-Aethyl-5-thio-adenosin|S-ethyl-5-thio-adenosine
(+/-)-1-hydroxy-2,9-dimethoxyaporphine|2,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol|dl-Lirinine|Lirinin|Orientinine
C19H21NO3 (311.15213560000007)
(-)-norannuradhapurine|(R)-Norannuradhapurine|Norannuradhapurine
C18H17NO4 (311.11575220000003)
15,16-ethane-1,2-diyldioxy-3beta-methoxy-erythrina-1,6-diene|Erythralin
C19H21NO3 (311.15213560000007)
(-)-alpha-8-methylanibacanine|(8R,13aS)-form-8-Methylanibacanine
C19H21NO3 (311.15213560000007)
Moringin
C14H17NO5S (311.08273920000005)
alpha-L-Mannopyranoside, 4-(isothiocyanatomethyl)phenyl 6-deoxy- is a natural product found in Moringa oleifera with data available. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
Fissistigine A
C18H17NO4 (311.11575220000003)
Fissistigine A is a natural product found in Xylopia laevigata, Fissistigma oldhamii, and Xylopia parviflora with data available.
fenamidone
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1015 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3056
thebaine
C19H21NO3 (311.15213560000007)
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.549 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.537 IPB_RECORD: 2881; CONFIDENCE confident structure
9,10-Dimethoxy-6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindole-5,11-dione
Domoic acid
C15H21NO6 (311.13688060000004)
An L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a 6-carboxyhepta-2,4-dien-2-yl group at position 4. It is produced by the diatomic algal Pseudo-nitzschia. It is an analogue of kainic acid and a neurotoxin which causes amnesic shellfish poisoning (ASP). D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents
Feruloyl dehydrotyramine (isomer of 1655)
C18H17NO4 (311.11575220000003)
Annotation level-3
1-Propanamine, N,N-dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11(6H)-ylidene)-, (E)- (9CI)
C19H21NOS (311.13437760000005)
PC(3:1/0:0)[U]
PC(0:0/3:1)
Asn-Ala-OH
C12H13N3O7 (311.07534680000003)
Ala-Asn-OH
C12H13N3O7 (311.07534680000003)
(-)-Thebaine
C19H21NO3 (311.15213560000007)
Lansimide 3
C19H21NO3 (311.15213560000007)
Launobine
C18H17NO4 (311.11575220000003)
4-Hydroxybenzyl isothiocyanate rhamnoside
C14H17NO5S (311.08273920000005)
Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
Norjuzipjine
C18H17NO4 (311.11575220000003)
Nandigerine
C18H17NO4 (311.11575220000003)
Piperettine
C19H21NO3 (311.15213560000007)
(+)-Norushinsunine N-oxide
C18H17NO4 (311.11575220000003)
Lansamide 4
C19H21NO3 (311.15213560000007)
A 3-hydroxy-6-methoxy-1-methyl-4,5-diphenyl-2-piperidinone in which positions 3,4,5 and 6 have S,S,R,R stereochemistry, respectively.
Annocherine B
C18H17NO4 (311.11575220000003)
Aegle marmelos alkaloid D
C19H21NO3 (311.15213560000007)
2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid Methyl ester
3-[3-(4-methylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
C18H17NO4 (311.11575220000003)
3-(Dimethylamino)-1,2-bis(4-methoxyphenyl)-2-propen-1-one
C19H21NO3 (311.15213560000007)
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine
C18H18FN3O (311.14338300000003)
(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine
C19H21NOS (311.13437760000005)
1-(3,4-Methylenedioxyphenyl)-2-pyrrolidino-1-pentanone hydrochloride
C16H22ClNO3 (311.12881319999997)
(2R,4R)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
C18H17NO4 (311.11575220000003)
(5s)-3,4,5,6-tetrahydro-5-phenyl-n-(benzyloxycarbonyl)-4(h)-1,4-oxazin-2-one
C18H17NO4 (311.11575220000003)
5-Pyrimidinecarbonitrile, 4-amino-2-(2,5-dihydroxyphenyl)-6-(3-piperidinyl)-
N,N-dimethyl-1-spiro[1,3-dioxolane-2,11-6H-benzo[c][1]benzoxepine]-4-ylmethanamine
C19H21NO3 (311.15213560000007)
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzoic acid
C18H17NO4 (311.11575220000003)
n-(3-chloro-2-methyl-phenyl)-2-(tetrahydro-furan-2-yl)-succinamic acid
tert-butyl 4-[(6-chloropyridin-3-yl)methyl]piperazine-1-carboxylate
2-[(1-ADAMANTYLCARBONYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
C16H25NO3S (311.15550600000006)
N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]-Carbamic acid 1,1-dimethylethyl ester
C16H19F2NO3 (311.13329280000005)
2-(N,N-Dimethylsulfamoyl)phenylboronic acid. pinacol ester
C14H22BNO4S (311.13625220000006)
2-BOC-6-CHLORO-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID
Diethyl 2-(((3-chloro-4-methylphenyl)amino)methylene)malonate
3-(N,N-Dimethylsulfamoyl)phenylboronic acid, pinacol ester
C14H22BNO4S (311.13625220000006)
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
C14H22BNO4S (311.13625220000006)
ETHYL 6-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINATE
N-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
C14H22BNO4S (311.13625220000006)
N-(4-METHOXYPHENYL)-2-(3-OXO-1,2,3,4-TETRAHYDROQUINOXALIN-2-YL)ACETAMIDE
C17H17N3O3 (311.12698520000004)
butyl prop-2-enoate,2-methylidenebutanedioic acid,prop-2-enenitrile
C15H21NO6 (311.13688060000004)
Benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
C15H21NO6 (311.13688060000004)
(S)-(-)N-CARBOMETHOXY-ALPHA,ALPHA-DIPHENYL-2-PYRROLIDINEMETHANOL,98
C19H21NO3 (311.15213560000007)
Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino](dimethoxyphosphinyl)-, ethyl ester
tert-butyl 4-fluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
5-Chloro-3-hydroxy-2-methyl-2-naphthanilide
C18H14ClNO2 (311.07130140000004)
N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid
C18H17NO4 (311.11575220000003)
3-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
C19H21NO3 (311.15213560000007)
2-METHYLPHENYL 2-ACETAMIDO-2-DEOXY-β-D-GLUCOPYRANOSIDE
C15H21NO6 (311.13688060000004)
1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2H-isoquinolin-6-one
C18H17NO4 (311.11575220000003)
3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)
C16H22ClNO3 (311.12881319999997)
Cyclobenzaprine hydrochloride
C20H22ClN (311.14406820000005)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Cyclobenzaprine hydrochloride (MK130 hydrochloride) is a skeletal muscle relaxant with activity on the central nervous system.
3-(4-chloro-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
C16H22ClNO3 (311.12881319999997)
(2,4,6-trimethylphenyl)methyl 2-benzamidoacetate
C19H21NO3 (311.15213560000007)
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanesulfonamide
C14H22BNO4S (311.13625220000006)
6-O-tert-butyl 3-O-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid,hydrochloride
C16H22ClNO3 (311.12881319999997)
s4-(2-cyanoethyl)-4-thiothymidine
C13H17N3O4S (311.09397220000005)
2-CBZ-AMINO-INDAN-2-CARBOXYLIC ACID
C18H17NO4 (311.11575220000003)
4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT
(4-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)phenyl)boronic acid
C16H14BNO5 (311.09649840000003)
tert-butyl 4-(2-chlorophenoxy)piperidine-1-carboxylate
C16H22ClNO3 (311.12881319999997)
3-(3-METHOXYBENZAMIDO)FURO[2,3-B]PYRIDINE-2-CARBOXAMIDE
9-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
C16H13N3O2S (311.07284380000004)
7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
ETHYL 2-METHYL-5-OXO-4-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
C19H21NO3 (311.15213560000007)
(R)-N-Cbz-3,4-dihydro-1H-isoquinolinecarboxylic acid
C18H17NO4 (311.11575220000003)
S-(+)-N,N-DIMETHYL-3-(1-NAPHTHLENYLOXY)-3-(2-THIENYL)-PROPANAMINE
C19H21NOS (311.13437760000005)
(4-(1-(((Benzyloxy)carbonyl)amino)cyclopropyl)phenyl)boronic acid
1-ISOPENTYL-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
C17H17N3O3 (311.12698520000004)
ETHYL 5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
2H-1-Benzopyran-2-one,3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-, hydrochloride (1:1)
C16H22ClNO3 (311.12881319999997)
1-(6,7-DIMETHOXY-1-PHENYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANONE
C19H21NO3 (311.15213560000007)
DL-5-Benzoylamino-5-benzyl-4-oxo-1,3-dioxane
C18H17NO4 (311.11575220000003)
1-Naphthalenamine,N,N-bis(2-chloroethyl)-4-methoxy-3-methyl-
C16H19Cl2NO (311.08436240000003)
Ethyl 3-(dibenzylamino)-2-oxopropanoate
C19H21NO3 (311.15213560000007)
N-Acetyl-9-deoxy-9-fluoroneuraminic Acid
C11H18FNO8 (311.10164000000003)
3H-1,2,4-Triazole-3-thione,5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-
1-N-BOC-4-(3-CHLOROPHENYL)-4-HYDROXYPIPERIDINE
C16H22ClNO3 (311.12881319999997)
2-(BENZYLAMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester
C18H17NO4 (311.11575220000003)
4-Chloro-3-hydroxy-2-methyl-2-naphthanilide
C18H14ClNO2 (311.07130140000004)
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
C15H12F3NO3 (311.07692380000003)
3-(2-CHLOROBENZYLIDENE)-3H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
C18H14ClNO2 (311.07130140000004)
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
C18H17NO4 (311.11575220000003)
Leonurine
Leonurine is a trihydroxybenzoic acid. Leonurine is a natural product found in Leonotis leonurus and Leonurus sibiricus with data available. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory.
Benzenepropanoic acid,-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-,(aR)-
(R)-(+)-N-CARBOMETHOXY-ALPHA, ALPHA-DIPHEN YL-2-PYRROLIDINEMETHANOL
C19H21NO3 (311.15213560000007)
(S)-N,N-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine
C19H21NOS (311.13437760000005)
3-Oxobutanoic acid 2-[phenyl(phenylmethyl)amino]ethyl ester
C19H21NO3 (311.15213560000007)
methyl 1,4-dihydroxy-7-phenoxyisoquinoline-3-carboxylate
8-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
C16H13N3O2S (311.07284380000004)
metahexamide
C14H21N3O3S (311.13035560000003)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
ETHYL 5-BOC-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2-CARBOXYLATE
3-Pyrrolidinecarboxylic acid, 4-(3-methoxyphenyl)-1-(phenylmethyl)-
C19H21NO3 (311.15213560000007)
2-bromo-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
N,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
C14H22BNO4S (311.13625220000006)
Benzyl 2-Acetamido-2-deoxy-β-D-glucopyranoside
C15H21NO6 (311.13688060000004)
(5r)-3,4,5,6-tetrahydro-5-phenyl-n-(benzyloxycarbonyl)-4(h)-1,4-oxazin-2-one
C18H17NO4 (311.11575220000003)
2-amino-4-chloro-N-(2-methylquinolin-6-yl)benzamide
(2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin
C18H17NO4 (311.11575220000003)
4-BOC-2-(4-CHLOROPHENYL)-2-METHYLMORPHOLINE
C16H22ClNO3 (311.12881319999997)
N6-(2-Hydroxyethyl)adenosine
N6-(2-Hydroxyethyl)adenosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid,styrene
3-[(2,4,6-Trimethoxy-phenyl)-methylene]-indolin-2-one
C18H17NO4 (311.11575220000003)
5-Methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione
C18H17NO4 (311.11575220000003)
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-piperidinoethyl)-
C18H21N3S (311.14561060000005)
2-(1,3-Dioxoisoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid
4-[5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
C17H17N3O3 (311.12698520000004)
Eptazocine hydrobromide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
R-(-)-actinodaphnine
C18H17NO4 (311.11575220000003)
A natural product found in Annona glabra.
(R)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
C19H21NO3 (311.15213560000007)
N-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
C19H21NO3 (311.15213560000007)
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)prop-2-enamide
C18H17NO4 (311.11575220000003)
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-phenyl-acrylamide
C19H21NO3 (311.15213560000007)
Pyrrobutamine
C20H22ClN (311.14406820000005)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use
N-{2-[(4-Cyano-1,1-biphenyl-4-YL)oxy]ethyl}-N-hydroxy-N-methylurea
C17H17N3O3 (311.12698520000004)
(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
C15H21NO6 (311.13688060000004)
2-(beta-D-Glucopyranosyl)-5-methyl-1,3,4-benzothiazole
C14H17NO5S (311.08273920000005)
metamizole
C13H17N3O4S (311.09397220000005)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
1-(4-(4-chlorophenyl)-3-phenylbut-2-enyl)pyrrolidine
C20H22ClN (311.14406820000005)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use
N2,N2-Dimethylguanosine (incomplete stereochemisrty)
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-14-one
C18H17NO4 (311.11575220000003)
N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine
C13H17N3O4S (311.09397220000005)
N-(7-carboxy-7-demethylgeranyl)-L-glutamate
C15H21NO6-2 (311.13688060000004)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
[5-(4,5-diamino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
C8H16N4O7P+ (311.07565760000006)
(3R,4R,5R,6R)-3-amino-6-[2-hydroxy-2-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]ethyl]oxane-2,4,5-triol
(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
C19H15F2NO (311.11216440000004)
(3Z)-N,N-dimethyl-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
C19H21NOS (311.13437760000005)
(3Z)-3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
C20H22ClN (311.14406820000005)
(2S,3S,4S)-4-[(6S)-6-Carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
C15H21NO6 (311.13688060000004)
(3Z)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
C18H17NO4 (311.11575220000003)
3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-(3,4-Dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione
C18H21N3S (311.14561060000005)
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
C16H13N3O2S (311.07284380000004)
3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol
1-(4-Morpholinyl)-2-(4-phenylphenoxy)-1-propanone
C19H21NO3 (311.15213560000007)
N-(2-methoxy-3-dibenzofuranyl)-2-oxolanecarboxamide
C18H17NO4 (311.11575220000003)
3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
N-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
C17H18FN5 (311.15461600000003)
1-(6-Methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea
6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
C14H18ClN3OS (311.08590480000004)
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
C17H17N3O3 (311.12698520000004)
2-(2-Furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
C16H13N3O2S (311.07284380000004)
N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
C18H17NO4 (311.11575220000003)
4,5-Dimethylcyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl ester
C18H17NO4 (311.11575220000003)
3-Amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
C18H17NO4 (311.11575220000003)
2-[6-(Carboxymethyl)-9-ethyl-3-carbazolyl]acetic acid
C18H17NO4 (311.11575220000003)
N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
C15H13N5OS (311.08407680000005)
Cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
C18H17NO4 (311.11575220000003)
5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile
C16H13N3O2S (311.07284380000004)
Ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate
C13H17N3O4S (311.09397220000005)
(2-Nitro-benzylidene)-(4-pyridin-2-yl-piperazin-1-yl)-amine
1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
3-Chloro-1-cyclohexyl-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione
2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]-3-pyrancarboxamide
C15H12F3NO3 (311.07692380000003)
2-[[(4-Methyl-2-thiazolyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid 2-methylpropyl ester
C14H21N3O3S (311.13035560000003)
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide
4-Methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
1-(4-methylphenyl)ethanone N-(2-phenylethyl)thiosemicarbazone
C18H21N3S (311.14561060000005)
1-(4-Methoxyphenyl)-1-methyl-3-(1-methyl-5-benzotriazolyl)urea
2-Methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone
C16H13N3O2S (311.07284380000004)
N-[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]-1,3-benzothiazol-2-amine
C16H13N3O2S (311.07284380000004)
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate
C13H15N2O5S- (311.07016400000003)
An S-substituted N-acetyl-L-cysteine that is the conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-succinimidyl 5-(3-azidopropylamino)-5-oxopentanoate
4-(4-Phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine
(R)-3-(5-benzyloxyindol-3-yl)lactic acid
C18H17NO4 (311.11575220000003)
(3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one
C19H21NO3 (311.15213560000007)
6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-serinamide
(5R)-3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
(2S)-2-amino-N-[(2S)-1-oxo-1-[2-(2,4,5-trihydroxyphenyl)ethylamino]propan-2-yl]propanamide
9-chloro-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-1-ium-4-one
C16H12ClN4O+ (311.06995919999997)
3-Hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-phenylpiperidine-2,6-dione
C18H17NO4 (311.11575220000003)
(6aR)-9,10-dimethoxy-6aH-isoindolo[2,3-a][3,1]benzoxazine-5,11-dione
Taxiphyllin
(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available.
(+)-Pronuciferine
C19H21NO3 (311.15213560000007)
An isoquinoline alkaloid isolated from Berberis coletioides.
CFM 2
C17H17N3O3 (311.12698520000004)
CFM-2 is a potent and selective non-competitive AMPAR antagonist[1]. CFM-2 possesses anticonvulsant activity in various models of seizures[2].
3-Hydroxy-6-methoxy-1-methyl-4,5-diphenyl-2-piperidinone
C19H21NO3 (311.15213560000007)
A member of the class of piperidones that is 1-methylpiperidin-2-one in which a hydrogen at positions 3,4,5 and 6 has been replaced by hydroxy, phenyl, phenyl and methoxy groups, respectively.
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
C19H21NO3 (311.15213560000007)
phosphatidylcholine (18:0/20:2)
A 1,2-diacyl-sn-glycero-3-phosphocholine in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 2 double bonds.
5-ethylthioadenosine
A thioadenosine that is adenosine with the hydroxy group at C-5 substituted with an ethylthio (ethylsulfanyl) group.
(S)-4-Hydroxymandelonitrile beta-D-glucoside
A beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring.
N(2),N(2)-Dimethylguanosine
A guanosine where the hydrogens of the amine group at C-2 are substituted by methyl groups.
2′-O-Methyl-8-methyl guanosine
2′-O-Methyl-8-methyl guanosine (m8Gm) is a Z-form RNA stabilizer. 2′-O-Methyl-8-methyl guanosine can markedly stabilize the Z-RNA at low salt conditions[1]. m8Gm-contained oligonucleotides stabilize the Z-DNA under low salt conditions[2].
EF24
C19H15F2NO (311.11216440000004)
EF24 is a curcumin analogue with greater anti-tumor efficacy and oral bioavailability via deactivation of the MAPK/ERK signaling pathway in oral squamous cell carcinoma (OSCC). EF24 treatment increases the levels of activated caspase 3 and 9, and decreases the phosphorylated forms of MEK1 and ERK[1][2].
SN05
C18H17NO4 (311.11575220000003)
SN05 is a potent amino acid transport (AAT) inhibitor with Kis of 2.77 μM, 0.73 μM, 0.87 μM, 3.7 μM, 7.25 μM, 7.23 μM and 2.22 μM for human ASCT1, rat ASCT2, human ASCT2, EAAT1, EAAT2, EAAC1 and EAAT5, respectively. SN05 can be used for researching anticancer[1].
(12s,15r,16s,17r)-11,11,15-trimethyl-10,19-dioxa-2-azapentacyclo[14.2.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,5,7,9(18)-pentaen-15-ol
C19H21NO3 (311.15213560000007)
(12br)-10,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphen-2-ol
C19H21NO3 (311.15213560000007)
(2s,3s,4s)-4-[(2e,4z,6r)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
C15H21NO6 (311.13688060000004)
(3r,4r,5s,6s,10z)-4,6-dihydroxy-2,3-dimethoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
C15H21NO6 (311.13688060000004)
19-methoxy-4,6-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0³,⁷.0¹⁶,²⁰]icosa-1(20),2(10),3(7),8,16,18-hexaen-18-ol
C18H17NO4 (311.11575220000003)
(1s,19r)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaen-12-one
C18H17NO4 (311.11575220000003)
4,6-dihydroxy-4-{[5-(3-hydroxy-2-methylpropyl)-5-methyl-4-oxofuran-2-yl]methyl}-3,5-dihydropyridin-2-one
C15H21NO6 (311.13688060000004)
4,6-dihydroxy-4-{[(5r)-5-[(2s)-3-hydroxy-2-methylpropyl]-5-methyl-4-oxofuran-2-yl]methyl}-3,5-dihydropyridin-2-one
C15H21NO6 (311.13688060000004)
(2z,5s,7z)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
C18H17NO4 (311.11575220000003)
(2s)-6-hydroxy-2-(2-hydroxypropan-2-yl)-1h,2h,7h-pyrano[3,4-c]carbazol-4-one
C18H17NO4 (311.11575220000003)
(3s,6s)-6-benzyl-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-3,6-dihydro-1,4-oxazin-2-one
C18H17NO4 (311.11575220000003)
(5s,12bs)-10-methoxy-5-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphene-2,11-diol
C19H21NO3 (311.15213560000007)
3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-16-ol
C19H21NO3 (311.15213560000007)
2h,5h,6h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl(4-methoxyphenyl)methanol
C18H17NO4 (311.11575220000003)
4-{[2-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl}phenol
C17H17N3O3 (311.12698520000004)
(12r)-19-methoxy-4,6-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0³,⁷.0¹⁶,²⁰]icosa-1(20),2(10),3(7),8,16,18-hexaen-18-ol
C18H17NO4 (311.11575220000003)
4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-3-ol
C19H21NO3 (311.15213560000007)
(12s,13r)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
C18H17NO4 (311.11575220000003)
4-(6-carboxy-6-methylhexa-2,5-dien-2-yl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
C15H21NO6 (311.13688060000004)
(12s)-19-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,16,18-hexaen-18-ol
C18H17NO4 (311.11575220000003)