Exact Mass: 301.10807900000003
Exact Mass Matches: 301.10807900000003
Found 500 metabolites which its exact mass value is equals to given mass value 301.10807900000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
febrifugine
Isofebrifugine is a member of quinazolines. Isofebrifugine is a natural product found in Hydrangea febrifuga and Hydrangea macrophylla with data available. Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1]. Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1].
Haemanthamine
Haemanthamine is an alkaloid. Hemanthamine is a natural product found in Sternbergia clusiana, Cyrtanthus elatus, and other organisms with data available.
Oxymorphone
An opioid analgesic with actions and uses similar to those of morphine, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Fenhexamid
C14H17Cl2NO2 (301.06362820000004)
Fenoxycarb
CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8907; ORIGINAL_PRECURSOR_SCAN_NO 8906 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8952; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8971; ORIGINAL_PRECURSOR_SCAN_NO 8969 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8960 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8995; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8919 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2940 CONFIDENCE standard compound; INTERNAL_ID 2588 CONFIDENCE standard compound; INTERNAL_ID 8460 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Flutriafol
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8532; ORIGINAL_PRECURSOR_SCAN_NO 8531 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4219; ORIGINAL_PRECURSOR_SCAN_NO 4218 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4261; ORIGINAL_PRECURSOR_SCAN_NO 4256 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8445; ORIGINAL_PRECURSOR_SCAN_NO 8442 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4231; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8537; ORIGINAL_PRECURSOR_SCAN_NO 8535 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8471; ORIGINAL_PRECURSOR_SCAN_NO 8469 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8524; ORIGINAL_PRECURSOR_SCAN_NO 8522 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8497; ORIGINAL_PRECURSOR_SCAN_NO 8495 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4247; ORIGINAL_PRECURSOR_SCAN_NO 4243 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4235 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4246; ORIGINAL_PRECURSOR_SCAN_NO 4244 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3710
Furalaxyl
CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8846; ORIGINAL_PRECURSOR_SCAN_NO 8845 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8960 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8881; ORIGINAL_PRECURSOR_SCAN_NO 8877 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8856; ORIGINAL_PRECURSOR_SCAN_NO 8854 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8879; ORIGINAL_PRECURSOR_SCAN_NO 8875 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8851; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3113
N-Amidino-scyllo-inosamine 4-phosphate
4-Nitrophenyl β-D-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Genomorphine
Genomorphine is an alkaloid from Papaver somniferum (opium poppy
Crinamin
Noroxycodone
Noroxycodone belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Citpressine I
Citpressine I is found in citrus. Citpressine I is an alkaloid from the root of bark of Citrus depressa (Shekwasha mandarin
Citrusinine I
Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange) and Citrus grandis (pummelo). Citrusinine I is found in sweet orange and citrus. Citrusinine I is found in citrus. Citrusinine I is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange) and Citrus grandis (pummelo
gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine
gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is found in pulses. gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is a constituent of Lens culinaris (lentil). Constituent of Lens culinaris (lentil). gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is found in pulses.
Prolyl-Tryptophan
Prolyl-Tryptophan is a dipeptide composed of proline and tryptophan. 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.
Tryptophyl-Proline
Tryptophyl-Proline is a dipeptide composed of tryptophan and proline. 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.
Carboxybupranolol, 4-chloro-3-[3-(1,1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic acid
C14H20ClNO4 (301.10807900000003)
Carboxybupranolol, 4-chloro-3-[3-(1,1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic acid is a metabolite of bupranolol. Bupranolol is a non-selective beta blocker without intrinsic sympathomimetic activity (ISA), but with strong membrane stabilizing activity. Its potency is similar to propranolol. (Wikipedia)
Hept-4-enedioylcarnitine
Hept-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an hept-4-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Hept-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Hept-4-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2E)-Hept-2-enedioylcarnitine
(2E)-hept-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-hept-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-hept-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-hept-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2Z)-2-(Propan-2-yl)but-2-enedioylcarnitine
(2Z)-2-(propan-2-yl)but-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2Z)-2-(propan-2-yl)but-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2Z)-2-(propan-2-yl)but-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z)-2-(propan-2-yl)but-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
1-Tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
4-Nitrophenyl beta-D-glucopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
3,4-Dehydrochlorambucil
C14H17Cl2NO2 (301.06362820000004)
Amotosalen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D003879 - Dermatologic Agents
Augustamine
Augustine
Dehydroevodiamine
Bisulepine
1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-fluorophenyl)-
2-(3,4-Dihydro-2,2-dimethyl-6-nitro-2H-1,4-benzoxazin-4-yl)pyridine N-oxide
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.
Gum arabic
C15H20NNaO4 (301.12899600000003)
Stabiliser for soft drink and flavour emulsions; encapsulating agent to protect lipid or liposoluble materials that are sensitive to decomposition; texturising or filming agent in confectionary; gelling agent or carrier in reduced calorie applications; clarification and stabilising aid in wines. Gum arabic, also known as gum acacia, chaar gund or char goond, is a natural gum made of hardened sap taken from two species of the acacia tree; Acacia senegal and Acacia seyal. The gum is harvested commercially from wild trees throughout the Sahel from Senegal and Sudan to Somalia, although it has been historically cultivated in Arabia and West Asia. Gum arabic is a complex mixture of polysaccharides and glycoproteins that is used primarily in the food industry as a stabilizer. It is edible and has E number E414. Gum arabic is a key ingredient in traditional lithography and is used in printing, paint production, glue, cosmetics and various industrial applications, including viscosity control in inks and in textile industries, although cheaper materials compete with it for many of these roles.; It is an important ingredient in shoe polish, and can be used in making homemade incense cones. It is also used as a lickable adhesive, for example on postage stamps and cigarette papers. Printers employ it to stop oxidation of aluminium printing plates in the interval between processing of the plate and its use on a printing press[citation needed]. Stabiliser for soft drink and flavour emulsions; encapsulating agent to protect lipid or liposoluble materials that are sensitive to decomposition; texturising or filming agent in confectionary; gelling agent or carrier in reduced calorie applications; clarification and stabilising aid in wines
Febrifugine
Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1]. Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1].
1ST169616
Dehydroevodiamine is a natural product found in Tetradium ruticarpum with data available.
dimethachlor ESA
C13H19NO5S (301.09838840000003)
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It is a metabolite of the herbicide dimethachlor. CONFIDENCE standard compound; INTERNAL_ID 2555 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2535 EAWAG_UCHEM_ID 2535; CONFIDENCE standard compound
N-(2H-1,4-benzothiazin-3-yl)-4-fluorobenzohydrazide
C15H12FN3OS (301.06850740000004)
N1-(2,4-Dimethylphenyl)-2-cyano-3-oxo-3-tetrahydro-1H-pyrrol-1-ylpropanethioamide
{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone
5,8,9-trimethoxy-2,2-dimethyl-2h-pyrano[2,3-b]quinoline
(-)-Amarbellisine|(1S,3aS,12bS,12cS)-1-ol-2-methoxy-3a,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine|amarbellisine
N-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)benzamide
2-ethyl-3-methylmaleimide N-beta-D-glucopyranoside|N-(beta-D-glucopyranosyl)-2-ethyl-3-methylmaleimide
2-acetoxy-2-((R)-4-methoxy-2,3-dihydro-furo[2,3-b]quinolin-2-yl)-propane|O-acetyl-platydesmine|Platydesmin-acetat
3,4-Dihydro-1-methoxy-5-(dimethylamino)-8-(methoxythio)-1H-2-benzothiopyran-6-ol
3-acetoxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline|O-Acetyl-geibalansin|O-acetyl-geibalansine|O-Acetylgeibalansine
N-<8-(4-methoxyphenylethyl)>-2-hydroxy-6-methoxybenzoylamide|N-[8-(4-methoxyphenylethyl)]-2-hydroxy-6-methoxybenzoylamide
(3aS)-1t-hydroxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4,5:4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-2-one|Demethylcephalotaxin|Demethylcephalotaxine-(-)-form|O2-demethyl-cephalotaxine
7-(3-hydroxy-3-methyl-butyl)-4-methoxy-furo[2,3-b]quinolin-8-ol|Folifinin|Folifinine
5,6-Dihydro-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenyl]-2(1H)--pyridinone|N-(3-Methoxy-4,5-methylenedioxycinnamoyl)-Delta3-pyridin-2-one
4-Hydroxypyridyl-3-oic acid 4-O-glucopyranoside|4-hydroxypyridyn-3-oic acid 4-O-glucopyranoside
(5,8-dihydro-7-hydroxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|demethylrenierone|O-Demethylrenierone
Dimethachlor-ESA
C13H19NO5S (301.09838840000003)
CONFIDENCE standard compound; INTERNAL_ID 2043
Fenhexamid
C14H17Cl2NO2 (301.06362820000004)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3057
peonidin
Acquisition and generation of the data is financially supported in part by CREST/JST.
1,5-dihydroxy-2,3-dimethoxy-10-methylacridin-9-one
C17H19NO4_{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone
FENOXYCARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
oxymorphone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
p-[N-Propyl-N-(3-hydroxypropyl)sulfamoyl]benzoic acid
C13H19NO5S (301.09838840000003)
p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid
C13H19NO5S (301.09838840000003)
Pro-TRP
A dipeptide formed from L-proline and L-tryptophan residues.
g-Glutamyl-b-(isoxazolin-5-on-2-yl)alanine
Noroxycodone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
peonidin
An anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4, 5 and 7 as well as a methoxy substituent at position 3.
3-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]benzoic acid
7-chloro-5-(2-fluorophenyl)-N-methyl-3H-1,4-benzodiazepin-2-amine
C16H13ClFN3 (301.07819800000004)
2-O-(2-Methoxyethyl)cytidine
2'-O-(2-Methoxyethyl)-cytidine is a synthetic oligonucleotide conversed from uridine. 2'-O-(2-Methoxyethyl)-uridine has the potential for chemotherapeutic agents development[1].
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(methylsulfonylmethyl)phenol
4-(2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYLAMINO)-BUTYRIC ACID
1,1,1,3,3,3-HEXAFLUORO-2-(4-(PROPYLAMINO)PHENYL)PROPAN-2-OL
4-methyl-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
C16H20BNO2S (301.13077300000003)
4-[(1,3-dioxybutyl)amino]-5-methoxy-2-methyl-benzenesulfonic acid
(2E)-N-(3,5-DIMETHYLPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
2-METHYL-4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)THIAZOLE
C16H20BNO2S (301.13077300000003)
8-N-BOC-AMINO-1,4-DIOXA-SPIRO[4.5]DECANE-8-CARBOXYLICACID
3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
METHYL 4-(DIMETHYLCARBAMOYL)-2-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
METHYL 3-(ETHYLCARBAMOYL)-2-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
2-[[(3,5-DIMETHOXYPHENYL)AMINO]CARBONYL]-BENZOIC ACID
ethyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
1-(4-METHYL PIPERAZIN-1-YL)-2-(QUINOLIN-8-YLTHIO)ETHANONE
4-[2-(6-methoxy-2-naphthyl)-1-thioxoethyl]morpholine
1,4-dibutoxy-2-chloro-5-nitrobenzene
C14H20ClNO4 (301.10807900000003)
2-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-4-METHYLPENTANOIC ACID
C13H19NO5S (301.09838840000003)
(1S,2S)-2-(Bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)cycloprop anecarboxylic acid
tert-butoxycarbonylamino-naphthalen-1-yl-acetic acid
ethyl N-[3-(dimethylcarbamoyl)pyridin-2-yl]sulfonylcarbamate
(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-(3-NITROPHENOXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
5-Morpholino-2-propoxybenzoic acid hydrochloride
C14H20ClNO4 (301.10807900000003)
2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,methyl 2-methylprop-2-enoate
desmethyldoxepin hydrochloride salt
C18H20ClNO (301.12333400000006)
(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid
Ethyl 2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydrooxazole-4-carboxylate
1-Benzyl-4-(2-chlorophenoxy)piperidine
C18H20ClNO (301.12333400000006)
2-(diethylamino)ethyl 4-ethoxybenzoate,hydrochloride
C15H24ClNO3 (301.14446239999995)
Acridine Orange hydrochloride
C17H20ClN3 (301.13456700000006)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D009153 - Mutagens
OXPRENOLOL HYDROCHLORIDE
C15H24ClNO3 (301.14446239999995)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Oxprenolol hydrochloride (Ba 39089) is an orally bioavailable β-adrenergic receptor (β-AR) antagonist with a Ki of 7.10 nM in a radioligand binding assay using rat heart muscle[1].
4-Nitrophenyl α-D-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
2-(TERT-BUTOXYCARBONYLAMINO)-3-(2,6-DIFLUOROPHENYL)PROPANOIC ACID
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)-
Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
ethyl N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)carbamate
Antazoline Hydrochloride
C17H20ClN3 (301.13456700000006)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Antazoline (Phenazoline) hydrochloride is a first-generation antihistamine that also has anticholinergic properties and is used to relieve nasal congestion and is also used as eye drops.
O-BENZOYL-N-(2-CHLOROETHYL)-N-METHYLBENZAMIDE
C17H16ClNO2 (301.08695059999997)
3-(2-METHOXYCARBONYL-VINYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester oxalate
2-(2-Aminothiazole-4-yl)-2-[2-(tert-butoxycarbonyl)-methoxyimino]acetic acid
3-AMINO-3-(4-BENZYLOXY-3-METHOXY-PHENYL)-PROPIONIC ACID
4-Chloro-5-[(1-methyl-4-piperidinyl)oxy]-3-quinolinecarbonitrile
C16H16ClN3O (301.09818359999997)
ETHYL 1-(4-TRIFLUOROMETHYLPHENYL)PIPERIDINE-4-CARBOXYLATE
4(1H)-Quinolinone,2,3-dihydro-1-[(4-methylphenyl)sulfonyl]-
7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinazolin-4-one
4-METHOXY-3-(MORPHOLIN-4-YLSULPHONYL)BENZENEBORONIC ACID
C11H16BNO6S (301.07913460000003)
3-cyclopentyloxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
2-TERT-BUTOXYCARBONYLAMINO-3-(2,4-DIFLUORO-PHENYL)-PROPIONIC ACID
tert-butoxycarbonylamino-naphthalen-2-yl-acetic acid
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-cyanoacetamide
1-Benzyl-4-(p-chlorophenyl)-4-piperidinol
C18H20ClNO (301.12333400000006)
1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
C17H16ClNO2 (301.08695059999997)
1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine,hydrochloride
C16H25Cl2N (301.13639500000005)
Methyl 5-amino-2-(2-(methoxycarbonyl)phenoxy)benzoate
DIMETHYL 5-(N-METHYLMETHYLSULFONAMIDO)ISOPHTHALATE
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide
C11H20BN3O4S (301.12675100000007)
Ethyl 1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
4-(1-AMINO-ETHYL)-IMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
C17H20ClN3 (301.13456700000006)
6-chloro-N-cyclopentyl-2-methyl-5-(3-methylphenyl)pyrimidin-4-amine
C17H20ClN3 (301.13456700000006)
Pramipexole dihydrochloride hydrate
C10H21Cl2N3OS (301.07823160000004)
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants Pramipexole dihydrochloride hydrate is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole dihydrochloride hydrate can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].
(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
5-Chloro-2-((R)-5-methyl-[1,4]diazepan-1-yl)benzooxazole hydrochloride
C13H17Cl2N3O (301.07486120000004)
[1-(3-Methoxy-4-nitro-phenyl)-piperidin-4-yl]-Methyl-aMine hydrochloride
C13H20ClN3O3 (301.11931200000004)
5-Methoxycarbonylindole-2-boronic acid pinacol ester
C16H20BNO4 (301.14853100000005)
6-Methoxycarbonylindole-2-boronic acid pinacol ester
C16H20BNO4 (301.14853100000005)
Benzyl (1-(4-chlorophenyl)cyclopropyl)carbamate
C17H16ClNO2 (301.08695059999997)
Benzyl (1-(3-chlorophenyl)cyclopropyl)carbamate
C17H16ClNO2 (301.08695059999997)
Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxylate
C16H20BNO4 (301.14853100000005)
Ocinaplon
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Ocinaplon (DOV 273547) is a partial GABAA receptor positive allosteric modulator with relatively high efficacy at the α1 subunit[1].
1-(4-AMINO-3-TRIFLUOROMETHYL-PHENYL)-ETHANONE
C13H19NO5S (301.09838840000003)
(4-Methoxy-3-(Morpholinosulfonyl)phenyl)boronic acid
C11H16BNO6S (301.07913460000003)
Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carboxylate
C16H20BNO4 (301.14853100000005)
TERT-BUTYL 4-(5-(CHLOROMETHYL)-1,3,4-OXADIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE
C13H20ClN3O3 (301.11931200000004)
benzyl 4-oxo-2-(trifluoromethyl)piperidine-1-carboxylate
1-(3-PYRIDINYL)-SPIRO[1-AZABICYCLO[2.2.1]HEPTANE-2,3-PYRROLIDINE]DIHYDROCHLORIDE
2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
Milrinone Lactate
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
TERT-BUTYL 5-(3-METHOXY-3-OXOPROP-1-EN-1-YL)-1H-INDOLE-1-CARBOXYLATE
2-(6-Methoxy-3-oxocyclohexa-1,4-dienylcarbamoyl)phenyl acetate compound with MethoxyMethane (1:1)
6-(4-METHOXY-PHENYL)-3-PHENYL-PYRAZOLO[1,5-A]PYRIMIDINE
3-THIOPHENECARBOXYLIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-4-(HYDROXYMETHYL)-, ETHYL ESTER
C13H19NO5S (301.09838840000003)
Glycyl-prolyl-glutamic acid
Gly-Pro-Glu is a neuroactive peptide with a potent action on acetylcholine release. Gly-Pro-Glu is the N-terminal tripeptide of insulin-like growth factor-I. Gly-Pro-Glu inhibits glutamate binds to N-methyl-D-aspartate (NMDA) receptor with an IC50 value of 14.7 μM. Gly-Pro-Glu can be used for the research of neuroprotection [1][2].
4-[2-(Hydroxymethyl)pyrimidin-4-YL]-N,N-dimethylpiperazine-1-sulfonamide
(S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
(R)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine dihydrochloride hydrate
C10H21Cl2N3OS (301.07823160000004)
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants
(R)-1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
2-(3,4-Dihydro-2,2-dimethyl-6-nitro-2H-1,4-benzoxazin-4-yl)pyridine N-oxide
D007476 - Ionophores > D061216 - Potassium Ionophores D049990 - Membrane Transport Modulators
(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
C14H17Cl2NO2 (301.06362820000004)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
(E)-1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
C17H16ClNO2 (301.08695059999997)
(4-Chlorophenyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone
C16H16ClN3O (301.09818359999997)
methyl 5-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
N-(1,3-dioxo-4-isoindolyl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
3-[[Cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester
2-[(4-Fluorophenoxy)methyl]-5-(1-piperidinyl)-4-oxazolecarbonitrile
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
1-[5-(2-Amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone
(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
(E)-N-(2-(2-(furan-2-ylmethylene)hydrazinyl)-2-oxoethyl)-2-phenoxyacetamide
6-[5-(2-Fluorophenyl)-3-pyrazolidinylidene]-4-nitro-1-cyclohexa-2,4-dienone
N-(acetyloxy)-N-[(E)-(1-methyl-2-morpholino-1H-indol-3-yl)methylidene]amine
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
5-[1-(Acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid
Tazobactam trans-enamine intermediate
C10H13N4O5S- (301.06066280000005)
(S)-1-Phenyl-1-[4-(9h-Purin-6-Yl)phenyl]methanamine
7-[2-Methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-F] quinazoline-1,3-diamine
C15H19N5O2 (301.15386739999997)
3-[5-(2-Nitropent-1-En-1-Yl)furan-2-Yl]benzoic Acid
1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone
A natural product found in Citropsis articulata.
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.
Hesperetin(1-)
A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group.
N-acetyl-L-aspartyl-L-glutamate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents
3-Deamino-3-oxonicotianaminium(1-)
C12H17N2O7- (301.10357120000003)
(2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate
4-(3-Acetyl-5-hydroxy-4-oxo-1,4-dihydronapthalen-2-yl)-3-oxobutanoate
(1S)-1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
(R)-1-(3,4-Dihydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol
(2S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Sodium;2-(7-carboxyheptylcarbamoyl)phenolate
C15H20NNaO4 (301.12899600000003)
(4-Hydroxy-6-oxo-1,6-dihydropyridin-2-yl)(phenyl)methyl 3-methylbutanoate
1-Tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiourea
Basic Orange 14
C17H20ClN3 (301.13456700000006)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D009153 - Mutagens
4-(2-furanylmethyl)-3-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium
1-(3-Methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
3-(1,3-dimethyl-4-pyrazolyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
C14H15N5OS (301.09972600000003)
N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[[[4-(Methylthio)anilino]-oxomethyl]amino]benzamide
2-[[1-Oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester
3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid
2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
[4-[Oxo(thiophen-2-yl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone
3,3-Dimethyl-1-[4-(trifluoromethoxy)phenyl]piperidine-2,6-dione
[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-2-benzofuranyl)methanone
[(E)-1-[5-(2-methylpropoxymethyl)-2-oxooxolan-3-yl]propan-2-ylideneamino]thiourea
Ala-Asp-Pro
A tripeptide composed of L-alanine, L-aspartic acid, and L-proline units joined in sequernce by peptide linkages.
2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide
C17H16ClNO2 (301.08695059999997)
7-hydroxy-6-(4-morpholinylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
4-[[(2-Methyl-3-furanyl)-oxomethyl]amino]benzoic acid butyl ester
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide
1-(3-Methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone
N-(3-methoxyphenyl)-3-[(4-methylphenyl)thio]propanamide
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluorobenzamide
Acetic acid [4-[(4-hydroxyanilino)-oxomethyl]-2-methoxyphenyl] ester
1-[2-[2-[3-(Trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole
2-Pyrazinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
2,5-Dioxo-1-phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-3-carbonitrile
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
3-Ethoxy-6-[4-(2-methyl-4-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
N-(3-phenyl-4-(phenylethynyl)-1H-pyrazol-5-yl)acetamide
4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine
N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-methyl-3-furancarboxamide
1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-2-thiazolyl)amino]ethanone
3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
5-Amino-1-(2-cyanoethyl)-3-(1-naphthalenylmethyl)-4-pyrazolecarbonitrile
3-(3-chlorophenyl)azo-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
1-(2,1,3-Benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone
ethyl 3-[4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-3-yl]propanoate
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
(2Z)-2-[(4-methylquinolin-2-yl)hydrazinylidene]pentanedioic acid
1-[(4-Chlorophenyl)methyl]-5-methyl-3-(oxidoamino)indol-2-ol
3-[3-(butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid
C14H20ClNO4 (301.10807900000003)
saxitoxin(2+)
An iminium ion resulting from the protonation of the two imine groups of saxitoxin; major species at pH 7.3.
SPF-32629A
A carboxylic ester obtained by the formal condensation of the secondary hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]pyridin-2(1H)-one with 3-methylbutanoic acid. It is isolated from the culture broth of Penicillium sp. SPF-32629 and acts as an inhibitor of the enzyme chymase (EC 3.4.21.39).
Ac-Asp-Glu(3-)
A peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3.
HIOC
HIOC is a potent and selective activator of TrkB (tropomyosin related kinase B) receptor. HIOC can pass the blood-brain and blood-retinal barriers.HIOC activates TrkB/ERK pathway and decreases neuronal cell apoptosis. HIOC attenuates early brain injury after SAH (subarachnoid hemorrhage). HIOC shows protective activity in an animal model for light-induced retinal degeneration[1][2][3].
Carajurin
6,7-Dihydroxy-5,4'-dimethoxy-flavylium has been reported in Fridericia chica