Exact Mass: 293.1798294
Exact Mass Matches: 293.1798294
Found 405 metabolites which its exact mass value is equals to given mass value 293.1798294,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nordihydrocapsaicin
Nordihydrocapsaicin is a member of methoxybenzenes and a member of phenols. Nordihydrocapsaicin is a natural product found in Capsicum pubescens and Capsicum annuum with data available. See also: Capsicum (part of); Paprika (part of); Habanero (part of) ... View More ... Isolated from the pungent principle of red pepper (Capsicum annuum). Nordihydrocapsaicin is found in many foods, some of which are herbs and spices, pepper (c. annuum), italian sweet red pepper, and green bell pepper. Nordihydrocapsaicin is found in herbs and spices. Nordihydrocapsaicin is isolated from the pungent principle of red pepper (Capsicum annuum Nordihydrocapsaicin is a capsaicinoid analog and congener of capsaicin in chili peppers[1]. Nordihydrocapsaicin is a capsaicinoid analog and congener of capsaicin in chili peppers[1].
AMITRAZ
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D010575 - Pesticides > D010574 - Pesticide Synergists D010575 - Pesticides > D007302 - Insect Repellents D010575 - Pesticides > D007306 - Insecticides D020011 - Protective Agents D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3023 CONFIDENCE standard compound; EAWAG_UCHEM_ID 107 Amitraz is a non-systemic acaricide and insecticide with alpha-adrenergic agonist activity that interacts with octopamine receptors in the central nervous system and inhibits monoamine oxidase and prostaglandin synthesis.
pramoxine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AD - Local anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3273
Ondansetron
Ondansetron is a well tolerated drug with few side effects. Headache, constipation, and dizziness are the most commonly reported side effects associated with its use. There have been no significant drug interactions reported with this drugs use. It is broken down by the hepatic cytochrome P450 system and it has little effect on the metabolism of other drugs broken down by this system; Ondansetron is a serotonin 5-HT3 receptor antagonist used mainly to treat nausea and vomiting following chemotherapy. Its effects are thought to be on both peripheral and central nerves. One part is to reduce the activity of the vagus nerve, which is a nerve that activates the vomiting center in the medulla oblongata, the other is a blockage of serotonin receptors in the chemoreceptor trigger zone. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarinic receptors; A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties; Ondansetron (INN) is a serotonin 5-HT3 receptor antagonist used mainly to treat nausea and vomiting following chemotherapy. Its effects are thought to be on both peripheral and central nerves. One part is to reduce the activity of the vagus nerve, which is a nerve that activates the vomiting center in the medulla oblongata, the other is a blockage of serotonin receptors in the chemoreceptor trigger zone. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarinic receptors. [HMDB] Ondansetron is a well tolerated drug with few side effects. Headache, constipation, and dizziness are the most commonly reported side effects associated with its use. There have been no significant drug interactions reported with this drugs use. It is broken down by the hepatic cytochrome P450 system and it has little effect on the metabolism of other drugs broken down by this system; Ondansetron is a serotonin 5-HT3 receptor antagonist used mainly to treat nausea and vomiting following chemotherapy. Its effects are thought to be on both peripheral and central nerves. One part is to reduce the activity of the vagus nerve, which is a nerve that activates the vomiting center in the medulla oblongata, the other is a blockage of serotonin receptors in the chemoreceptor trigger zone. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarinic receptors; A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties; Ondansetron (INN) is a serotonin 5-HT3 receptor antagonist used mainly to treat nausea and vomiting following chemotherapy. Its effects are thought to be on both peripheral and central nerves. One part is to reduce the activity of the vagus nerve, which is a nerve that activates the vomiting center in the medulla oblongata, the other is a blockage of serotonin receptors in the chemoreceptor trigger zone. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarinic receptors. A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D003879 - Dermatologic Agents > D000982 - Antipruritics CONFIDENCE standard compound; INTERNAL_ID 2746 CONFIDENCE standard compound; INTERNAL_ID 8525 D002491 - Central Nervous System Agents Ondansetron (GR 38032; SN 307) is a highly selective 5-HT3 receptor antagonist, with IC50 value of 103 pM. Ondansetron exerts antiemetic effects by antagonizing 5-HT receptor located on local neurons in the peripheral and central nervous system. Ondansetron suppresses nausea and vomiting caused by chemotherapy and radiation therapy. Ondansetron has orally bioactivity[1][2][3][4][5][6][7][8].
Anastrozole
Anastrozole is a drug indicated in the treatment of breast cancer in post-menopausal women. It is used both in adjuvant therapy (i.e. following surgery) and in metastatic breast cancer. It decreases the amount of estrogens that the body makes. Anastrozole belongs in the class of drugs known as aromatase inhibitors. It inhibits the enzyme aromatase, which is responsible for converting androgens (produced by women in the adrenal glands) to estrogens. CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7616; ORIGINAL_PRECURSOR_SCAN_NO 7613 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7651; ORIGINAL_PRECURSOR_SCAN_NO 7649 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7606; ORIGINAL_PRECURSOR_SCAN_NO 7604 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7609; ORIGINAL_PRECURSOR_SCAN_NO 7607 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7592; ORIGINAL_PRECURSOR_SCAN_NO 7590 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7638; ORIGINAL_PRECURSOR_SCAN_NO 7636 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist CONFIDENCE standard compound; INTERNAL_ID 2750 CONFIDENCE standard compound; INTERNAL_ID 8532 D000970 - Antineoplastic Agents
Nonivamide
Nonivamide, also known as pseudocapsaicin or hansaplast, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Nonivamide is odorless and a bland tasting compound. Nonivamide is found, on average, in the highest concentration within a few different foods, such as yellow bell peppers, red bell peppers, and pepper (C. frutescens) and in a lower concentration in pepper (C. annuum), orange bell peppers, and green bell peppers. Nonivamide has also been detected, but not quantified, in herbs and spices. This could make nonivamide a potential biomarker for the consumption of these foods. Limited information is available on pharmacokinetics and metabolism of nonivamide. Agonism of the VR1 (TRPV1) (vanilloid) receptor by Nonivamide was demonstrated to induce the release of Ca2+ from the endoplasmic reticulum (ER) of human lung cells, producing ER stress and cell death . The cardiovascular effects are partly explained by substance P release. Administered intraperitoneally, the LD50 in rats was measured to be about 90 mg/kg. Nonivamide has been shown to stimulate afferent neurons with about half the potency of Capsaicin (PMID:6202305).
Nonivamide is a capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays. It has a role as a lachrymator. It is a capsaicinoid and a member of phenols.
Nonivamide is found in herbs and spices. It is an alkaloid from the Capsicum species. The structures of [DB06774] and nonivamide differ only slightly with respect to the fatty acid moiety of the side chain (8-methyl nonenoic acid versus nonanoic acid). Nonivamide is a flavoring ingredient. Nonivamide is an organic compound and a capsaicinoid. It is an amide of pelargonic acid and vanillylamine. It is naturally found in chili peppers but manufactured to produce a synthetic form for various pharmacologic preparations. This drug has been studied in combination with Nicarboxil in the treatment of lower back pain. Nonivamide has also been studied for its anti-inflammatory properties, as well as in fat loss therapies and has demonstrated promising results,,,.
Nonivamide is a natural product found in Capsicum annuum with data available.
See also: Paprika (part of); Methyl salicylate; nonivamide (component of) ... View More ...
A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays.
Alkaloid from Capsicum subspecies Flavouring ingredient
Nonivamide is a
Dehydronuciferine
Dehydronuciferine is found in coffee and coffee products. Dehydronuciferine is an alkaloid from the leaves of Nelumbo nucifera (East Indian lotus). Dehydronuciferine is an isoquinoline alkaloid. Dehydronuciferine is a natural product found in Nelumbo nucifera with data available. Dehydronuciferine is isolated from the leaves of Nelumbo nucifera Gaertn, a acetylcholinesterase (AChE) inhibitor with an IC50 of 25 μg/mL[1]. Dehydronuciferine is isolated from the leaves of Nelumbo nucifera Gaertn, a acetylcholinesterase (AChE) inhibitor with an IC50 of 25 μg/mL[1].
N-Fructosyl isoleucine
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)isoleucine is classified as a Natural Food Constituent (code WA) in the DFC.
Phenylalanyllysine
Phenylalanyllysine is a dipeptide composed of phenylalanine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Koenimbine
Koenimbine is found in herbs and spices. Koenimbine is an alkaloid from leaves and fruits of Murraya koenigii (curryleaf tree
Lysylphenylalanine
Lysylphenylalanine is a dipeptide composed of lysine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Phenylalanylglutamine
Phenylalanylglutamine is a dipeptide composed of phenylalanine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
E-10-Hydroxyamitriptyline
E-10-Hydroxyamitriptyline is only found in individuals that have used or taken Amitriptyline. E-10-Hydroxyamitriptyline is a metabolite of Amitriptyline. E-10-hydroxyamitriptyline belongs to the family of Dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.
Glutaminylphenylalanine
Glutaminylphenylalanine is a dipeptide composed of glutamine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Phenylalanyl-Gamma-glutamate
Phenylalanyl-Gamma-glutamate is a dipeptide composed of phenylalanine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N-(1-Deoxy-1-fructosyl)leucine
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)leucine is classified as a Natural Food Constituent (code WA) in the DFC.
N-Acetyl-3-hydroxyprocainamide
N-Acetyl-3-hydroxyprocainamide is a metabolite of procainamide. Procainamide is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias, classified by the Vaughan Williams classification system as class Ia. (Wikipedia)
Quifenadine
Quifenadine is a second-generation H1-antihistamine.
3,4,5-Trihydroxypentanoylcarnitine
3,4,5-trihydroxypentanoylcarnitine is an acylcarnitine. More specifically, it is an 3,4,5-trihydroxypentanoic 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. 3,4,5-trihydroxypentanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3,4,5-trihydroxypentanoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
(Z)-10-Hydroxyamitriptyline
Amitraz
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D010575 - Pesticides > D010574 - Pesticide Synergists D010575 - Pesticides > D007302 - Insect Repellents D010575 - Pesticides > D007306 - Insecticides D020011 - Protective Agents D016573 - Agrochemicals Amitraz is a non-systemic acaricide and insecticide with alpha-adrenergic agonist activity that interacts with octopamine receptors in the central nervous system and inhibits monoamine oxidase and prostaglandin synthesis.
Amitriptylinoxide
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Binedaline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Budipine
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C93038 - Cation Channel Blocker Budipine is an anti-parkinson agent. Budipine also is a substrate of P-glycoprotein (P-gp), is mediated the uptake into the brain by P-gp. Budipine also is N-methyl-d-aspartate (NMDA) antagonist, and has indirect dopaminergic effects through an improved dopamine release, the inhibition of monoamine oxidase type B (MAO-B). Budipine can be used for the research of CNS disorders include Parkinson disease[1].
Butriptyline
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents 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 C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3-(1-Adamantyl)-4-methyl-5-phenyl-1,2,4-triazole
Acridine carboxamide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
Dimethylaminoparthenolide
Embutramide
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Levoprotiline
(9Z)-(13S)-12,13-epoxyoctadeca-9,11-dienoate
(9z)-(13s)-12,13-epoxyoctadeca-9,11-dienoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (9z)-(13s)-12,13-epoxyoctadeca-9,11-dienoate can be found in a number of food items such as pomes, grape, butternut, and half-highbush blueberry, which makes (9z)-(13s)-12,13-epoxyoctadeca-9,11-dienoate a potential biomarker for the consumption of these food products.
3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate
3-oxo-2-(cis-2-pentenyl)-cyclopentane-1-octanoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-oxo-2-(cis-2-pentenyl)-cyclopentane-1-octanoate can be found in a number of food items such as lemon grass, fireweed, pepper (c. pubescens), and pili nut, which makes 3-oxo-2-(cis-2-pentenyl)-cyclopentane-1-octanoate a potential biomarker for the consumption of these food products.
4-(2-hydroxy-5,7-dimethyl-4-oxo6,8-nonadienyl)-2,6-piperidinedione
11-Hydroxy-6-methyl-5,3a-(iminopropano)spiro[tetrahydrofuran-2,3-hydrindane]-2,4-dione
Dehydronuciferine
Dehydronuciferine is isolated from the leaves of Nelumbo nucifera Gaertn, a acetylcholinesterase (AChE) inhibitor with an IC50 of 25 μg/mL[1]. Dehydronuciferine is isolated from the leaves of Nelumbo nucifera Gaertn, a acetylcholinesterase (AChE) inhibitor with an IC50 of 25 μg/mL[1].
venlafaxine n-oxide
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3396 CONFIDENCE standard compound; INTERNAL_ID 2121
8-methoxy-3,3,9-trimethyl-3,11-dihydro-pyrano[3,2-a]carbazole|Koenimbin
5-methoxy-3,3,8-trimethyl-3,11-dihydro-pyrano[3,2-a]carbazole|Heptazolidine
(2E,7E,9E)-N-(2-hydroxy-2-methylpropyl)-6,11-dioxo-2,7,9-dodecatrienamide
N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide
Anastrozole
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
Nonivamide
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4374; ORIGINAL_PRECURSOR_SCAN_NO 4372
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4385; ORIGINAL_PRECURSOR_SCAN_NO 4381
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4393; ORIGINAL_PRECURSOR_SCAN_NO 4390
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4393; ORIGINAL_PRECURSOR_SCAN_NO 4391
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9273; ORIGINAL_PRECURSOR_SCAN_NO 9269
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9289; ORIGINAL_PRECURSOR_SCAN_NO 9288
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9279; ORIGINAL_PRECURSOR_SCAN_NO 9277
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9286; ORIGINAL_PRECURSOR_SCAN_NO 9284
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9306; ORIGINAL_PRECURSOR_SCAN_NO 9303
CONFIDENCE standard compound; INTERNAL_ID 964; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9298; ORIGINAL_PRECURSOR_SCAN_NO 9296
CONFIDENCE standard compound; INTERNAL_ID 8335
Nonivamide is a
VEN_294.2063_13.1
INTERNAL_ID 1902; CONFIDENCE Transformation product with Reference Standard (Level 1) CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 1902
C14H19N3O4_N~5~-Carbamoyl-N~2~-(phenylacetyl)ornithine
ondansetron
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D003879 - Dermatologic Agents > D000982 - Antipruritics D002491 - Central Nervous System Agents Ondansetron (GR 38032; SN 307) is a highly selective 5-HT3 receptor antagonist, with IC50 value of 103 pM. Ondansetron exerts antiemetic effects by antagonizing 5-HT receptor located on local neurons in the peripheral and central nervous system. Ondansetron suppresses nausea and vomiting caused by chemotherapy and radiation therapy. Ondansetron has orally bioactivity[1][2][3][4][5][6][7][8].
Fabesetron
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3660; ORIGINAL_PRECURSOR_SCAN_NO 3659 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3638; ORIGINAL_PRECURSOR_SCAN_NO 3636 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3651; ORIGINAL_PRECURSOR_SCAN_NO 3649 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3679; ORIGINAL_PRECURSOR_SCAN_NO 3675 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3688; ORIGINAL_PRECURSOR_SCAN_NO 3687 DATASET 20200303_ENTACT_RP_MIX505; CONFIDENCE standard compound; INTERNAL_ID 393; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3974; ORIGINAL_PRECURSOR_SCAN_NO 3970 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3974; ORIGINAL_PRECURSOR_SCAN_NO 3970 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8035; ORIGINAL_PRECURSOR_SCAN_NO 8033 INTERNAL_ID 393; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8035; ORIGINAL_PRECURSOR_SCAN_NO 8033 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8049; ORIGINAL_PRECURSOR_SCAN_NO 8045 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8030; ORIGINAL_PRECURSOR_SCAN_NO 8029 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8041; ORIGINAL_PRECURSOR_SCAN_NO 8036 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8063; ORIGINAL_PRECURSOR_SCAN_NO 8062 CONFIDENCE standard compound; INTERNAL_ID 393; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7948; ORIGINAL_PRECURSOR_SCAN_NO 7944
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid
(5R,E)-6-((7R,8R,E)-7,8-dihydroxy-8-methylhexahydroindolizin-6(5H)-ylidene)-2,5-dimethylhex-2-enal
5-Hepten-3-yn-1-ol, 2,2-dimethyl-7-[(1-naphthalenylmethyl)amino]-, (E)-
Lys-phe
A dipeptide formed from L-lysine and L-phenylalanine residues.
Koenimbin
Nordihydrocapsacin
Nordihydrocapsaicin is a capsaicinoid analog and congener of capsaicin in chili peppers[1]. Nordihydrocapsaicin is a capsaicinoid analog and congener of capsaicin in chili peppers[1].
2-(2-AMINOPHENYL)-5-(4-(TERT-BUTYL)PHENYL)-1,3,4-OXADIAZOLE
1,2-diethenylbenzene: N,N-dimethylmethanamine: styrene
(3S,4S)-TERT-BUTYL 3-HYDROXY-4-(4-HYDROXYPHENYL)PIPERIDINE-1-CARBOXYLATE
2-(1,3-benzoxazol-2-yl)-1-(4-tert-butylphenyl)ethanone
3,5-Dip-tolyl-4,5-dihydro-1H-pyrazole-1-carboxamide
(S)-(3B,12B)-12,20-DIHYDROXYDAMMAR-24-EN-3-YLBETA-D-GLUCOPYRANOSIDE
(1-Furan-2-yl-2-phenyl-ethyl)-(4-methoxy-phenyl)-amine
dimazole
C15H23N3OS (293.15617480000003)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent
(S)-2-((tert-Butoxycarbonyl)amino)-5-phenylpentanoic acid
3-AMINO-3-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-PROPIONIC ACID
azane,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,furan-2,5-dione,oxirane
(R)-4-((TERT-BUTOXYCARBONYL)AMINO)-5-PHENYLPENTANOIC ACID
(S)-METHYL3-(4-HYDROXY-3-NITROPHENYL)-2-(2,2,2-TRIFLUOROACETYLAMINO)PROPIONATE
TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-1-CARBOXYLATE
Spiro[2H-1-benzopyran-2,2-[2H]indol]-6-ol,1,3-dihydro-1,3,3-trimethyl-
(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)methanol
(8R,9S,13S,14S,17S)-16,16,17-trideuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,4,17-triol
C18H19D5O3 (293.20392129000004)
methyl (E)-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate
tert-butyl-dimethyl-(1-methylsulfonylpiperidin-4-yl)oxysilane
Phosphonic acid,[(diethylamino)carbonyl]-, dibutyl ester (9CI)
(17β)-(17-2H)Estra-1(10),2,4-triene-2,3,17-triol
C18H19D5O3 (293.20392129000004)
(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,3,4,5-tetrahydro-1,4-be nzoxazepin-7-yl)boronic acid
C14H20BNO5 (293.14344600000004)
3-(4-FLUORO-PHENYLCARBAMOYL)-1,2,2-TRIMETHYL-CYCLOPENTANECARBOXYLIC ACID
BENZYL ((S)-1-HYDROXY-3-((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPAN-2-YL)CARBAMATE
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]morpholine
BETA-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-BENZENEBUTANOIC ACID METHYL ESTER
Methyl 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
C14H20BNO5 (293.14344600000004)
N,N-DIETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-ETHANAMINE
1-[2-(3,5-dimethylphenoxy)ethyl]indole-3-carbaldehyde
N-(4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)PROPAN-1-AMINE
1-[1-[(4-Chlorophenyl)Methyl]-4-piperidinyl] piperazine
Methyl (3R)-(-)-3-(methyl-1H-Indol-3-yl)-3-phenylpropanoate
Methyl 7-isobutyl-1,3-diMethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyriMidine-6-carboxylate
N-octyl-4-metylpyridinium tetrafluoroborate
C14H24BF4N (293.19378220000004)
methyl5,5-dimethoxy-7,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Isobutyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1-carboxylate
2-(3-Methoxypropylamino)pyrimidine-5-boronic acid, pinacol ester
C14H24BN3O3 (293.19106239999996)
METHYL 4-[N-BENZYL-N-(2-ETHOXY-2-OXOETHYL)AMINO]BUTANOATE
1-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)METHYL)PYRROLIDINE
(R)-tert-Butyl 2-(dimethylcarbamoyl)piperazine-1-carboxylate hydrochloride
5-[3-(dimethylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol
BENZENEPROPANOIC ACID,-[2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]ETHYL]-
(2S)-2-acetamido-4-methyl-N-(4-nitrophenyl)pentanamide
Methyl 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
C14H20BNO5 (293.14344600000004)
2-(4-Ethoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BNO5 (293.14344600000004)
(1-(TERT-BUTYLDIMETHYLSILYL)-5-FLUORO-1H-INDOL-4-YL)BORONIC ACID
(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-D]pyrimidin-7-YL)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-OL
3-(4-Fluorophenyl)-2-(6-methylpyridin-2-YL)-5,6-dihydro-4H-pyrrolo[1,2-B]pyrazole
2-Quinolineethanol, 4-(dimethylamino)-1,2,3,4-tetrahydro-beta,beta-dimethyl-6-nitro-
Jasmonic acid/1-amino-1-cyclopropane carboxylic acid
(R)-6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
3-[(6-Methyl-4-phenyl-2-quinazolinyl)amino]-1-propanol
(4-Benzoyl-1-methyl-3-pyrrolidinyl)-phenylmethanone
1-[(4-Methylphenyl)methyl]-4-(1-pyrrolidinyl)pyrazolo[3,4-d]pyrimidine
Quifenadine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-(4-Fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole
2,6-Diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3H-quinazolin-4-one
4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyridin-3-yl]-benzonitrile
Amitriptylinoxide
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Butriptyline
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents 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 C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Budipine
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C93038 - Cation Channel Blocker Budipine is an anti-parkinson agent. Budipine also is a substrate of P-glycoprotein (P-gp), is mediated the uptake into the brain by P-gp. Budipine also is N-methyl-d-aspartate (NMDA) antagonist, and has indirect dopaminergic effects through an improved dopamine release, the inhibition of monoamine oxidase type B (MAO-B). Budipine can be used for the research of CNS disorders include Parkinson disease[1].
3-Methyl-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]pentanoic acid
Levoprotiline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
Colneleate
C18H29O3- (293.21165840000003)
An oxo fatty acid anion and the conjugate base of colneleic acid, arising from deprotonation of the carboxylic acid group.
8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
C18H29O3- (293.21165840000003)
9,10-epoxy-10,12Z-octadecadienoate
C18H29O3- (293.21165840000003)
(12Z,15Z)-9,10-epoxyoctadeca-12,15-dienoate
C18H29O3- (293.21165840000003)
(9Z,12Z)-15,16-epoxyoctadeca-9,12-dienoate
C18H29O3- (293.21165840000003)
(9Z,15Z)-12,13-epoxy-octadeca-9,15-dienoate
C18H29O3- (293.21165840000003)
9(S)-hydroxy-(10E,12Z,15Z)-octadeca-10,12,15-trienoate
C18H29O3- (293.21165840000003)
(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoate
C18H29O3- (293.21165840000003)
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoate
C18H29O3- (293.21165840000003)
A long-chain unsaturated fatty acid anion that is the conjugate base of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid arising from deprotonation of the carboxylic acid function.
(7Z)-12-[(dimethylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
3-oxo-2-(cis-2-pentenyl)-cyclopentane-1-octanoate
C18H29O3- (293.21165840000003)
(E,11E)-11-(3-pentyloxiran-2-ylidene)undec-9-enoate
C18H29O3- (293.21165840000003)
7-Ethyl-2-methylundecan-4-yl sulfate
C14H29O4S- (293.17864540000005)
N-(4-cyclohexylphenyl)-2-(2-hydroxyethylthio)acetamide
2-[4-(tert-butyl)phenoxy]-N-{[(dimethylamino)carbonyl]oxy}ethanimidamide
5-(Carbamoylamino)-2-[(2-phenylacetyl)amino]pentanoic acid
N-[(E)-(4-Fluorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
Phe-Ala-Gly
A tripeptide composed of L-phenylalanine, L-alanine, and glycine joined by peptide linkages.
3-cyclohexyl-N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)propanamide
1-(4-Butylphenyl)-3-(4-morpholinyl)thiourea
C15H23N3OS (293.15617480000003)
(R)-2-hydroxy-alpha-linolenate
C18H29O3- (293.21165840000003)
A hydroxy fatty acid anion that is the conjugate base of (R)-2-hydroxy-alpha-linolenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone
(Z,E)-13-oxooctadeca-9,11-dienoate
C18H29O3- (293.21165840000003)
3-(1H-indazol-6-yl)-1-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinamine
9-Ethyl-6-[2-(3-pyridinyl)ethylamino]-2-purinecarbonitrile
8-{(2S)-3-[(2Z)-oct-2-en-1-ylidene]oxiran-2-yl}octanoate
C18H29O3- (293.21165840000003)
N(alpha)-acetyl-L-histidyl-D-prolinamide
C13H19N5O3 (293.14878239999996)
1-(2,6-Dimethyl-4-morpholinyl)-3-(3,5-dimethylphenoxy)-2-propanol
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-pyridin-4-ylacetamide
2-[(3E)-3-ethylidene-1,2,4,12-tetrahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol
9-HOTrE(1-)
C18H29O3- (293.21165840000003)
A polyunsaturated fatty acid anion that is the conjugate base of 9-HOTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N(2)-[(R)-2-amino-2-phenylacetyl]-N-butyl-L-serinamide
8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate
C18H29O3- (293.21165840000003)
N(2)-[(R)-2-amino-2-(4-hydroxyphenyl)acetyl]-N-butyl-L-alaninamide
methyl 4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-2-O-methyl-alpha-D-mannopyranoside
(10E,12Z)-9-Oxooctadeca-10,12-dienoate
C18H29O3- (293.21165840000003)
(10S)-hydroxy-(6Z,12Z,15Z)-octadecatrienoate
C18H29O3- (293.21165840000003)
trimethyl-[(1R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaen-13-yl]silane
trimethyl-[(1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaen-13-yl]silane
2-Butoxy-N-(2-(diethylamino)ethyl)-3-pyridinecarboxamide
C16H27N3O2 (293.21031619999997)
2,2-Dimethyl-3-[[[(1-phenylethyl)amino]carbonyl]oxy]propionic acid ethyl ester
Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl-
tetradecyl sulfate
C14H29O4S (293.17864540000005)
An organosulfate oxoanion that is the conjugate base of tetradecyl sulfonic acid, obtained by deprotonation of the O-sulfo group.
9-oxo-ODE(1-)
A octadecanoid anion that is the conjugate base of 9-oxo-ODE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
13(S)-HOTrE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 13S-HOTrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
13-oxo-9Z,11E-ODE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9Z,11E-ODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
(8R)-7-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-13,14-diol
8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate
An oxo monocarboxylic acid anion that is the conjugate base of 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3.
(+)-N-Allylnormetazocine (hydrochloride)
(+)-N-Allylnormetazocine ((+)-SKF 10047) hydrochloride is a benzomorphan opioid with psychotomi metic effects. (+)-N-Allylnormetazocine hydrochloride is an opioid receptor antagonist with Ki values of 300 nM and 27 μM for σ1 and σ2 opioid receptors, respectively. (+)-N-Allylnormetazocine hydrochloride can be used for the research of neurological disease[1][2].
(1r,2s,5s,6r,8r,11s)-5-[(dimethylamino)methyl]-11-isopropyl-6-methyl-9-oxatricyclo[6.2.1.0²,⁶]undecane-7,10-dione
n-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanimidic acid
3,4,6-trimethyl-9-phenyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraen-12-ol
9-methoxy-3,3,10-trimethyl-7h-pyrano[2,3-c]carbazole
5-[(dimethylamino)methyl]-11-isopropyl-6-methyl-9-oxatricyclo[6.2.1.0²,⁶]undecane-7,10-dione
3-hydroxy-2-oxodendrobine
{"Ingredient_id": "HBIN008646","Ingredient_name": "3-hydroxy-2-oxodendrobine","Alias": "NA","Ingredient_formula": "C16H23NO4","Ingredient_Smile": "NA","Ingredient_weight": "293.36","OB_score": "NA","CAS_id": "99616-00-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8095","PubChem_id": "NA","DrugBank_id": "NA"}