Exact Mass: 307.1297012
Exact Mass Matches: 307.1297012
Found 500 metabolites which its exact mass value is equals to given mass value 307.1297012,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tebuconazole
DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9770; ORIGINAL_PRECURSOR_SCAN_NO 9769 ORIGINAL_PRECURSOR_SCAN_NO 9696; CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9701 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9787; ORIGINAL_PRECURSOR_SCAN_NO 9786 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9701; ORIGINAL_PRECURSOR_SCAN_NO 9696 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9770; ORIGINAL_PRECURSOR_SCAN_NO 9769 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9788; ORIGINAL_PRECURSOR_SCAN_NO 9786 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9738; ORIGINAL_PRECURSOR_SCAN_NO 9737 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9819; ORIGINAL_PRECURSOR_SCAN_NO 9818 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1014 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2500 CONFIDENCE standard compound; INTERNAL_ID 4043 CONFIDENCE standard compound; INTERNAL_ID 2578 CONFIDENCE standard compound; INTERNAL_ID 8423 D016573 - Agrochemicals D010575 - Pesticides
Zolpidem
Some users take zolpidem recreationally for these side effects. However, it may be less common than benzodiazepine abuse. In the United States, recreational use may be less common than in countries where the drug is available as a less expensive generic. Zolpidem can become addictive if taken for extended periods of time, due to dependence on its ability to put one to sleep or to the euphoria it can sometimes produce. Like most addictive drugs, a tolerance in the zolpidem user develops and increases all the more quickly the longer she or he has been regularly taking it. Under the influence of the drug it is common to take more zolpidem than is necessary due to either forgetting that one has already taken a pill (elderly users are particularly at risk here), or knowingly taking more than the prescribed dosage. Users with a predilection for abuse are advised to keep additional zolpidem in a safe place that is unlikely to be remembered or accessed while intoxicated to avoid this risk. A trustworthy friend or relative is the best defense if such people are available; otherwise, a box or cupboard locked with a combination padlock is a good defense against this tendency, as the abovementioned side-effects can easily prevent a user from operating such a lock while under the drugs influence; Zolpidem is a prescription drug used for the short-term treatment of insomnia. It works quickly (usually within 15 minutes) and has a short half-life (2-3 hours). Some trade names of zolpidem are Ambien, Stilnox, Stilnoct, Hypnogen or Myslee. Its hypnotic effects are similar to those of the benzodiazepines, but it is classified as an imidazopyridine, and the anticonvulsant and muscle relaxant effects only appear at 10 and 20 times the dose required for sedation, respectively. For that reason, it has never been approved for either muscle relaxation or seizure prevention. Such drastically increased doses are more likely to induce one or more negative side effects, including hallucinations and/or amnesia. (See below.); Some users take zolpidem recreationally for these side effects. However, it may be less common than benzodiazepine abuse. In the United States, recreational use may be less common than in countries where the drug is available as a less expensive generic. Zolpidem can become addictive if taken for extended periods of time, due to dependence on its ability to put one to sleep or to the euphoria it can sometimes produce. Like most addictive drugs, a tolerance in the zolpidem user develops and increases all the more quickly the longer she or he has been regularly taking it. Under the influence of the drug it is common to take more zolpidem than is necessary due to either forgetting that one has already taken a pill (elderly users are particularly at risk here), or knowingly taking more than the prescribed dosage. Users with a predilection for abuse are advised to keep additional zolpidem in a safe place that is unlikely to be remembered or accessed while intoxicated to avoid this risk. A trustworthy friend or relative is the best defense if such people are available; Recreational zolpidem use is speculated to lead to tolerance and dependence much more quickly than prescribed use. Recreational use is rising, as demonstrated by the use of street names for the pill, such as: A (which is most likely due to the imprint on the Ambien CR brand of zolpidem, which consists of a capital A along with a tilde, which looks roughly like A~, as well as for sedative and calming effects, A+ is a street name for Adderall, named so because of its stimulant effects) and zombie pills (because of the waking sleep/sensory deprivation effect some users have reported experiencing). Another buzz term for Ambien is tic-tacs, referring to the shape and color of commonly abused 10mg tablets; Zolpidem is a prescription drug used for the short-term treatment of insomnia. It works quickly (usually within 15 minutes) and has a short half-life (2-3 hours). Its hypnotic eff... Zolpidem (sold under the brand names Ambien, Ambien CR, Stilnox, and Sublinox) is a prescription medication used for the treatment of insomnia, as well as some brain disorders. It is a short-acting nonbenzodiazepine hypnotic of the imidazopyridine class that potentiates gamma-aminobutyric acid (GABA), an inhibitory neurotransmitter, by binding to GABAA receptors at the same location as benzodiazepines. It works quickly (usually within 15 minutes) and has a short half-life (two to three hours). Zolpidem has not adequately demonstrated effectiveness in maintaining sleep (unless delivered in a controlled-release form); however, it is effective in initiating sleep. Some users take zolpidem recreationally for these side effects. However, it may be less common than benzodiazepine abuse. Zolpidem can become addictive if taken for extended periods of time, due to dependence on its ability to put one to sleep or to the euphoria it can sometimes produce. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CF - Benzodiazepine related drugs D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Glutathione
C10H17N3O6S (307.08380220000004)
Glutathione is a compound synthesized from cysteine, perhaps the most important member of the bodys toxic waste disposal team. Like cysteine, glutathione contains the crucial thiol (-SH) group that makes it an effective antioxidant. There are virtually no living organisms on this planet-animal or plant whose cells dont contain some glutathione. Scientists have speculated that glutathione was essential to the very development of life on earth. glutathione has many roles; in none does it act alone. It is a coenzyme in various enzymatic reactions. The most important of these are redox reactions, in which the thiol grouping on the cysteine portion of cell membranes protects against peroxidation; and conjugation reactions, in which glutathione (especially in the liver) binds with toxic chemicals in order to detoxify them. glutathione is also important in red and white blood cell formation and throughout the immune system. glutathiones clinical uses include the prevention of oxygen toxicity in hyperbaric oxygen therapy, treatment of lead and other heavy metal poisoning, lowering of the toxicity of chemotherapy and radiation in cancer treatments, and reversal of cataracts. (http://www.dcnutrition.com/AminoAcids/) glutathione participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase I (EC 4.4.1.5) catalyzes the conversion of methylglyoxal and reduced glutathione to S-D-Lactoyl-glutathione. Glyoxalase II (EC 3.1.2.6) catalyzes the hydrolysis of S-D-Lactoyl-glutathione to glutathione and D-lactate. GSH is known as a substrate in both conjugation reactions and reduction reactions, catalyzed by glutathione S-transferase enzymes in cytosol, microsomes, and mitochondria. However, it is also capable of participating in non-enzymatic conjugation with some chemicals, as in the case of n-acetyl-p-benzoquinone imine (NAPQI), the reactive cytochrome P450-reactive metabolite formed by acetaminophen, that becomes toxic when GSH is depleted by an overdose (of acetaminophen). glutathione in this capacity binds to NAPQI as a suicide substrate and in the process detoxifies it, taking the place of cellular protein thiol groups which would otherwise be covalently modified; when all GSH has been spent, NAPQI begins to react with the cellular proteins, killing the cells in the process. The preferred treatment for an overdose of this painkiller is the administration (usually in atomized form) of N-acetylcysteine, which is used by cells to replace spent GSSG and renew the usable GSH pool. (http://en.wikipedia.org/wiki/glutathione). Glutathione (GSH) - reduced glutathione - is a tripeptide with a gamma peptide linkage between the amine group of cysteine (which is attached by normal peptide linkage to a glycine) and the carboxyl group of the glutamate side-chain. It is an antioxidant, preventing damage to important cellular components caused by reactive oxygen species such as free radicals and peroxides. [Wikipedia]. Glutathione is found in many foods, some of which are cashew nut, epazote, ucuhuba, and canada blueberry. Glutathione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=70-18-8 (retrieved 2024-07-15) (CAS RN: 70-18-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Glutathione reduced (GSH; γ-L-Glutamyl-L-cysteinyl-glycine) is an endogenous antioxidant and is capable of scavenging oxygen-derived free radicals.
(S)-Succinyldihydrolipoamide
(S)-Succinyldihydrolipoamide is a metabolite (a product as well as a substrate) in glutamate degradation. [HMDB] (S)-Succinyldihydrolipoamide is a metabolite (a product as well as a substrate) in glutamate degradation.
Rutacridone
Rutacridone is found in herbs and spices. Rutacridone is an alkaloid from Ruta graveolens (rue). Alkaloid from Ruta graveolens (rue). Rutacridone is found in herbs and spices.
Convoline
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
Stealthin C
An organic heterotetracyclic compound that is 10H-benzo[b]fluorene substituted by a methyl group at position 1, hydroxy groups at positions 4, 5 and 9, oxo group at position 10, and an amino group at position 11.
SCHEMBL8622936
C15H17NO4S (307.08782420000006)
(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene
C15H17NO4S (307.08782420000006)
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D004791 - Enzyme Inhibitors
(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene
C15H17NO4S (307.08782420000006)
Tolnaftate
Tolnaftate is a synthetic over-the-counter anti-fungal agent. It may come as a cream, powder, spray, or liquid aerosol, and is used to treat jock itch, athletes foot and ringworm. It is sold under several brand names, most notably Tinactin (Schering-Plough Corporation) and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting.and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting. [HMDB] Tolnaftate is a synthetic over-the-counter anti-fungal agent. It may come as a cream, powder, spray, or liquid aerosol, and is used to treat jock itch, athletes foot and ringworm. It is sold under several brand names, most notably Tinactin (Schering-Plough Corporation) and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting.and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
N-Acetylanonaine
N-Acetylanonaine is found in fruits. N-Acetylanonaine is an alkaloid from the root bark of Zanthoxylum simulans (Szechuan pepper
Aspergillomarasmine A
Aspergillomarasmine A is a metabolite of the cereal fungus (Aspergillus flavus), found only in young culture D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
Hallacridone
Hallacridone is found in herbs and spices. Minor alkaloid from Ruta graveolens (rue) tissue culture
Aristolodione
Aristolodione is found in herbs and spices. Aristolodione is an alkaloid Piper longum (long pepper).
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one is isolated from rice cultures of Fusarium equiseti. Isolated from rice cultures of Fusarium equiseti
Tryptophyl-Cysteine
C14H17N3O3S (307.09905720000006)
Tryptophyl-Cysteine is a dipeptide composed of tryptophan and cysteine. 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.
Alcaftadine
Alcaftadine is only found in individuals that have used or taken this drug. It is a H1 histamine receptor antagonist indicated for the prevention of itching associated with allergic conjunctivitis. This drug was approved in July 2010.Alcaftadine is a H1 histamine receptor antagonist and inhibitor of the release of histamine from mast cells. Decreased chemotaxis and inhibition of eosinophil activation has also been demonstrated. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Alcaftadine (R89674) is a histamine H1 receptor antagonist, which is used to prevent eye irritation brought on by allergic conjunctivitis. Alcaftadine is a broad-spectrum antihistamine displaying a high affinity for histamine H1 and H2 receptors and a lower affinity for H4 receptors. Alcaftadine also exhibits modulatory action on immune cell recruitment and mast cell stabilizing effects[1][2].
Cysteinyl-Tryptophan
C14H17N3O3S (307.09905720000006)
Cysteinyl-Tryptophan is a dipeptide composed of cysteine 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.
1,N2-propanodeoxyguanosine
1,N2-propanodeoxyguanosine belongs to the family of Purine 2-deoxyribonucleosides and Analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.
Glutathionate(1-)
C10H17N3O6S (307.08380220000004)
Glutathionate(1-), also known as Glutathionic acid or Glutathione, is classified as a member of the Oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Glutathionate(1-) is considered to be soluble (in water) and acidic
Talastine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Talastine is a first-generation alkylamine H1-antihistamine.
Methyl 2-((3,4-dihydro-3,4-dioxo-1-naphthalenyl)amino)benzoate
6-(7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide
Cletoquine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Fabomotizole
C15H21N3O2S (307.13544060000004)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics
Mdo-npa
N-[1-(2-Oxochromen-3-yl)ethylideneamino]pyridine-4-carboxamide
C17H13N3O3 (307.09568680000007)
Moxaverine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AD - Papaverine and derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
N-Desmethylcarboxy Terbinafine
N-(1-Adamantyl)quinoxaline-2-carboxamide
NPS 2390 is a noncompetitive antagonist of mGluR1 and mGluR5[1]. NPS 2390 is also a potent CaSR (calcium-sensing receptor) inhibitor[2][3].
2-[(3-Phenyl-5,6-dihydro-2h-1,2,4-oxadiazin-6-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
Toluidine
C17H13N3O3 (307.09568680000007)
Toluidine, also known as toluidine red or c.i. pigment red 3, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Toluidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Toluidine can be found in wild celery, which makes toluidine a potential biomarker for the consumption of this food product. The chemical properties of the toluidines are quite similar to those of aniline, and toluidines have properties in common with other aromatic amines. Due to the amino group bonded to the aromatic ring, the toluidines are weakly basic. The toluidines are poorly soluble in pure water but dissolve well in acidic water due to formation of ammonium salts, as usual for organic amines. ortho- and meta-toluidines are viscous Liquids, but para-toluidine is a flaky solid. This difference is related to the fact that the p-toluidine molecules are more symmetrical. p-Toluidine can be obtained from reduction of p-nitrotoluene. p-Toluidine reacts with formaldehyde to form Tr√∂gers base . Toluidine, also known as toluidine red or c.i. pigment red 3, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Toluidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Toluidine can be found in wild celery, which makes toluidine a potential biomarker for the consumption of this food product. The chemical properties of the toluidines are quite similar to those of aniline, and toluidines have properties in common with other aromatic amines. Due to the amino group bonded to the aromatic ring, the toluidines are weakly basic. The toluidines are poorly soluble in pure water but dissolve well in acidic water due to formation of ammonium salts, as usual for organic amines. ortho- and meta-toluidines are viscous liquids, but para-toluidine is a flaky solid. This difference is related to the fact that the p-toluidine molecules are more symmetrical. p-Toluidine can be obtained from reduction of p-nitrotoluene. p-Toluidine reacts with formaldehyde to form Trögers base .
Ala-Phe-Ala
tolnaftate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3131
Demethyl
C16H17NO3.HCl (307.09751480000006)
Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2]. Higenamine hydrochloride is a selective LSD1 inhibitor (IC50=1.47 μM) that can be isolated from aconite. Higenamine hydrochloride has anti-inflammatory and antibacterial activity. Higenamine (Norcoclaurine) can attenuate IL-1β-induced Apoptosis through ROS-mediated PI3K/Akt signaling pathway. Higenamine hydrochloride protects brain cells from oxygen deprivation. Higenamine can promote bone formation in osteoporosis through the SMAD2/3 pathway. Higenamine hydrochloride can be used to study cancer, inflammation, cardiorenal syndrome and other diseases[1][2][3][4][5][6]. Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2].
7H-Dibenzo(de,g)quinolin-7-one, 3-hydroxy-1,2-dimethoxy-
7H-Dibenzo(de,g)quinolin-7-one, 9-hydroxy-1,2-dimethoxy-
LY2183240
LY2183240 is a highly potent blocker of anandamide uptake (IC50= 270 pM; Ki=540 nM). LY2183240 is a potent, covalent inhibitor of the endocannabinoid-degrading enzyme fatty acid amide hydrolase (FAAH) with an IC50 of 12.4 nM. LY2183240 inactivates FAAH by carbamylation of the enzyme's serine nucleophile. LY2183240 also inhibits several other brain serine hydrolases with IC50s of 5.3, 0.09, 8.2 nM for MAG lipase, bh6 and KIAA1363, respectively[1][2] [3].
Moxaverine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AD - Papaverine and derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
2-Cyclohex-3-enyl-6-[(3-methoxypropyl)amino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
C15H21N3O2S (307.13544060000004)
N4-[5-(2-Phenyleth-1-ynyl)-3-pyridyl]morpholine-4-carboxamide
Foliosidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids, Foliosidine alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.994 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.993 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.992 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.990
CP_M308a
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2101
CP_M308b
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2102
CP_M308c
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2103
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]benzamide
9-hydroxy-6,10-dimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dien-3-one
1,2-Methylenedioxy-6alpha,7-dehydroaporphine-10,11-quinone
Me glycoside,N-Ac,4,6-O-benzylidene-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
2-isopropenyl-5-methoxy-1,11-dihydro-2H-furo[2,3-c]acridin-6-one|Rutacridon
3-Deoxy-3-methylaminoxylose-1,2-O-Isopropylidene, N-benzoyl
4-O-(6-Amino-6-deoxyglucopyranosyl)-2,5-dideoxystreptamine
2-indolylcarbonyl alpha-L-rhamnopyranoside|3-indolylcarbonyl alpha-L-rhamnopyranoside
2,6-anhydro-3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-D-galacto-non-2-enoic acid|2,6-anhydro-3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-D-galacto-non-2-enonicacid|2-deoxy-N-glycoloyl-2,3-didehydroneuraminic acid
C11H17NO9 (307.09032720000005)
(S)-2-((S)-2-((S)-2-Amino-4-(methylthio)butanamido)propanamido)-3-hydroxypropanoic acid
Apoatropine HCl
C17H22ClNO2 (307.13389820000003)
Demethyl
Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2]. Higenamine hydrochloride is a selective LSD1 inhibitor (IC50=1.47 μM) that can be isolated from aconite. Higenamine hydrochloride has anti-inflammatory and antibacterial activity. Higenamine (Norcoclaurine) can attenuate IL-1β-induced Apoptosis through ROS-mediated PI3K/Akt signaling pathway. Higenamine hydrochloride protects brain cells from oxygen deprivation. Higenamine can promote bone formation in osteoporosis through the SMAD2/3 pathway. Higenamine hydrochloride can be used to study cancer, inflammation, cardiorenal syndrome and other diseases[1][2][3][4][5][6]. Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2].
Tebuconazole
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 327
N-Allyladenosine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.520 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.523 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.516 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.518
tolnaftate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10164; ORIGINAL_PRECURSOR_SCAN_NO 10163 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10182; ORIGINAL_PRECURSOR_SCAN_NO 10181 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10208; ORIGINAL_PRECURSOR_SCAN_NO 10207 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10225; ORIGINAL_PRECURSOR_SCAN_NO 10224 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10249; ORIGINAL_PRECURSOR_SCAN_NO 10244
Reduced glutathione
C10H17N3O6S (307.08380220000004)
A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. L-Glutathione reduced (GSH; γ-L-Glutamyl-L-cysteinyl-glycine) is an endogenous antioxidant and is capable of scavenging oxygen-derived free radicals.
zolpidem
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CF - Benzodiazepine related drugs D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Glutathione reduced
C10H17N3O6S (307.08380220000004)
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RWSXRVCMGQZWBV_STSL_0160_Glutathione_2000fmol_180506_S2_LC02_MS02_186; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
(Methoxymethyl)triphenylphosphonium
CONFIDENCE standard compound; INTERNAL_ID 2485
Glutathione (not validated)
C10H17N3O6S (307.08380220000004)
Annotation level-2
1,N2-Trans-4-hydroxy-2-nonenal-guanine
C14H21N5O3 (307.16443160000006)
(E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid
Alcaftadine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Alcaftadine (R89674) is a histamine H1 receptor antagonist, which is used to prevent eye irritation brought on by allergic conjunctivitis. Alcaftadine is a broad-spectrum antihistamine displaying a high affinity for histamine H1 and H2 receptors and a lower affinity for H4 receptors. Alcaftadine also exhibits modulatory action on immune cell recruitment and mast cell stabilizing effects[1][2].
Cys-TRP
C14H17N3O3S (307.09905720000006)
TRP-Cys
C14H17N3O3S (307.09905720000006)
Toxin C
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
N-Acetylanonaine
Piperadione
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxybutanoyl)-2,2-dimethyl-4H-4-chromanone
7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine
Arginine aspartate
C10H21N5O6 (307.14917660000003)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-HYDROXY-3,3-DIMETHYLPYRROLIDINE-2-CARBOXYLICACID
N-[(3aS,4R,6S,6aR)-Tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamicacid phenylmethyl ester
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylpropanoate
(2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-prop-2-enoxybutanoate
tert-butyl 8,8-dimethyl-3-nitro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
(S)-2-(2-Fluoro-benzyl)-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester
((3AR,4R,6R,6AR)-6-(6-AMINO-9H-PURIN-9-YL)-2,2-DIMETHYLTETRAHYDROFURO[3,4-D][1,3]DIOXOL-4-YL)METHANOL
4-chloro-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazoline
1,3,3-TRIMETHYLINDOLINO-8-METHOXYBENZOPYRYLOSPIRAN
1-BOC-4-(2-METHANESULFONYLOXY-ETHYL)-PIPERIDINE
C13H25NO5S (307.14533600000004)
Lithium triisopropyl 2-(5-chloropyridyl)borate
C14H24BClLiNO3 (307.16977240000006)
Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C14H18BNO6 (307.12271180000005)
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carboxylic acid
Ethanone, 1-(3,5-dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride
N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-phenylethanamine
N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzylidene]benzenamine
ETHYL1-PHENYL-5-PHENYLAMINOIMIDAZOLE-4-CARBOXYLATE
ethyl 5-amino-1,4-diphenyl-1H-pyrazole-3-carboxylate
tert-Butyl 4-(2-fluorobenzoyl)piperidine-1-carboxylate
4-(5-CARBOXY-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-amino-4-methylsulfanylbutanoic acid,(2,5-dioxoimidazolidin-4-yl)urea
C9H17N5O5S (307.09503520000004)
6-Fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
C15H18FN3O3 (307.13321300000007)
(3BETA,12BETA,16BETA,23R,24R,25S,26S))-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-26-HYDROXY-9,19-CYCLOANOSTAN-3-YLBETA-D-XYLOPYRANOSIDE
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
4-Nitrobenzyl {(1E)-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethylidene}c arbamate
tert-butyl 4-(3-nitrophenyl)piperazine-1-carboxylate
2,3-O-Isopropylideneadenosine
2',3'-O-Isopropylideneadenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
(3BETA,5BETA)-3-[(2,6-DIDEOXY-4--O-BETA-D-GLUCOPYRANOSYL-BETA-D-XYLO-HEXOPYRANOSYL)OXY]-5,14-DIHYDROXY-19-OXOCARD-20(22)-ENOLIDE
(R)-Ethyl piperidine-3-carboxylate (2R,3R)-2,3-dihydroxysuccinate
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-methylsulfanylindol-2-yl]boronic acid
C14H18BNO4S (307.10495380000003)
3-hydroxy-7-methoxy-N-(o-tolyl)naphthalene-2-carboxamide
(4-CYCLOHEXYL-5-FURAN-2-YL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
C14H17N3O3S (307.09905720000006)
3-(3-TERT-BUTYL-4-METHOXYBENZYLIDENYL)INDOLIN-2-ONE
(4-cyano-3,5-difluorophenyl) 4-propylcyclohexane-1-carboxylate
2-(4-N-Boc-piperazino)pyridine-5-boronicacid
C14H22BN3O4 (307.17032820000003)
3-(4-nitrophenoxycarbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
Zetidoline
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
3-(3-4-FLUOROPHENYL-1-ISOPROPYL-1H-INDOLE-2-YL) PROPENAL
(2E,4E)-4-(1-ETHYLQUINOLIN-2(1H)-YLIDENE)-1-PHENYLBUT-2-EN-1-ONE
TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE
4-Methoxycarbonyl-2-nitrophenylboronic acid, pinacol ester
C14H18BNO6 (307.12271180000005)
N-(2,4,6-TRIMETHYLPHENYLCARBAMOYLMETHYL)IMINO-DIACETIC ACID,
BENZYL 4-OXO-2-PHENYL-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
4-[3-[4-(Methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine
C14H17N3O3S (307.09905720000006)
4-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine
C16H23BFNO3 (307.1754930000001)
(1R,4R)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
C17H19Cl2N (307.08944740000004)
2-(4-boronophenyl)-6-methylquinoline-4-carboxylic acid
C17H14BNO4 (307.10158340000004)
(2-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyridin-4-yl)boronic acid
C14H22BN3O4 (307.17032820000003)
4-(Diethylamino)-2-ethoxybenzenediazonium Tetrafluoroborate
4-(5-Isoquinolinylsulfonyl)-1,4-diazepan-1-ol
C14H17N3O3S (307.09905720000006)
Fasudil Pyridine N-Oxide TFA Salt
C14H17N3O3S (307.09905720000006)
(R)-3-(2-Nitro-phenylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
3-(2-Chloro-1-oxopropyl)spiro[2H-1,3-benzoxazine-2,1-cyclohexan]-4(3H)-one
n-Octyl-O-(3-(Dimethylchlorosilyl)Propyl)Carbamate
C14H30ClNO2Si (307.17342299999996)
Ethyl 2-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)amino)acetate
C14H22BN3O4 (307.17032820000003)
Sulfasymazine
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
A-68930 hydrochloride
A68930 hydrochloride, as a dopamine D1 receptor agonist, can be used for the research of bronchiectasis[1].
tert-butyl N-naphthalen-2-ylsulfonylcarbamate
C15H17NO4S (307.08782420000006)
(2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridin-3-yl)boronic acid
C14H22BN3O4 (307.17032820000003)
1-[4-(2-chloroethoxy)phenyl]-3,3,4,4,4-pentadeuterio-2-phenylbutan-1-one
ETHYL 4-HYDROXY-5,6,8-TRIMETHOXYQUINOLINE-2-CARBOXYLATE
1-(4-Methoxybenzyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinolin e hydrochloride (1:1)
4-[[(3-HYDROXY-2-NAPHTHYL)CARBONYL]AMINO]BENZOIC ACID
BUPRANOLOL hydrochloride
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
4-allyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
C14H17N3O3S (307.09905720000006)
7-(2-Ethoxyethyl)-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione
C14H21N5O3 (307.16443160000006)
2-methyl-N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenamide
4-{(2E)-2-[(1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinyl}benzoic acid
4-(2,6-Dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
7-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
4-[(6-Methoxy-2-naphthalenyl)sulfonyl]morpholine
C15H17NO4S (307.08782420000006)
4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
C16H13N5S (307.08916180000006)
6-Amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone
C14H17N3O3S (307.09905720000006)
3-(Dimethylaminomethylideneamino)-4-methoxy-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester
C14H17N3O3S (307.09905720000006)
2-Deoxy-2,3-didehydro-N-glycoloylneuraminic acid
C11H17NO9 (307.09032720000005)
6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid pyridin-3-ylamide
C17H13N3O3 (307.09568680000007)
2-(2-Fluorophenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
2-Amino-N,N-Bis(Phenylmethyl)-1,3-Oxazole-5-Carboxamide
4-[(7r,7as)-7-Hydroxy-1,3-Dioxotetrahydro-1h-Pyrrolo[1,2-C]imidazol-2(3h)-Yl]-1-Naphthonitrile
C17H13N3O3 (307.09568680000007)
2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Fabomotizole
C15H21N3O2S (307.13544060000004)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics
Talastine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
3-(4-chlorophenyl)-2-cyclopropyl-4-(1H-1,2,4-triazol-1-yl)butane-1,3-diol
1-[2-(4-chlorophenyl)-3-cyclopropyl-2-hydroxybutyl]-1H-1,2,4-triazol-5-ol
1-[2-(4-chlorophenyl)-3-cyclopropyl-2-hydroxybutyl]-1H-1,2,4-triazol-3-ol
(1R,5S)-8-hydroxy-8-azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate
1-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]ethenyl-methoxyphosphinic acid
(5S,6R)-5-acetamido-2-hydroxy-4-oxo-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
C11H17NO9 (307.09032720000005)
4-[(3S)-8-amino-8-oxo-1-sulfanyloctan-3-yl]sulfanyl-4-oxobutanoic acid
N-Desmethylcarboxy Terbinafine
N-[1-(2-Oxochromen-3-yl)ethylideneamino]pyridine-4-carboxamide
C17H13N3O3 (307.09568680000007)
3-[(6-Methyl-4-phenyl-2-quinazolinyl)amino]propanoic acid
N-[2-(4-methoxyphenyl)ethyl]-2-quinoxalinecarboxamide
N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamide
C15H21N3O2S (307.13544060000004)
2-(4-methyl-1-oxo-2-phthalazinyl)-N-(4-methylphenyl)acetamide
4-butyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol
C15H21N3O2S (307.13544060000004)
N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
C17H13N3O3 (307.09568680000007)
1-(5-Isoquinolinyl)-3-(2-phenylethyl)thiourea
C18H17N3S (307.11431220000003)
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
C16H21NO3S (307.12420760000003)
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
1-(4-Carbamoyl-2-nitrophenyl)-4-piperidinecarboxylic acid methyl ester
4-Ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxaline
N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
1-hydroxy-2-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-benzotriazin-3-one
(E)-3-(3-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
2-(4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)benzo[d]oxazole
C18H18BNO3 (307.1379668000001)
2-[(2S,5S,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
2-[(2R,5R,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2S,5R,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(2S,5R,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5S,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2S,5S,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5S,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
Fructosyllysinate
The glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosyllysine.
2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate
2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate
(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene
C15H17NO4S (307.08782420000006)
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(methylaminomethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
C12H13N5O5 (307.09166480000005)
(Z)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenyl)prop-2-enenitrile
(3S,4S)-1-Benzyl-3-((1S)-1-hydroxyethyl)-4-((E)-styryl)-2-azetidinone
LY 294002
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D004791 - Enzyme Inhibitors
2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one
1A-116
1A-116, a potent Rac1 inhibitor, is specific for W56 residues, can prevent EGF-induced Rac1 activation and block Rac1-P-Rex1 interaction. 1A-116 can induce apoptosis and inhibit cell proliferation, migration and cycle progression in a concentration-dependent manner. 1A-116 also demonstrates a high antimetastatic activity in vivo[1][2][3].
FAAH/MAGL-IN-5
AM6701 is a potent FAAH/MAGL inhibitor (equipotent inhibitory IC50: 1.2 nM) with neuroprotective effects[1].
5-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁸.0¹³,¹⁷]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one
18-methyl-3,13,19-triazapentacyclo[11.7.1.0²,¹⁰.0⁴,⁹.0¹⁷,²¹]henicosa-2(10),4,6,8,16,19-hexaen-20-ol
15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
(9s)-9-hydroxy-3-methyl-n-(2-sulfoethyl)dec-2-enimidic acid
C13H25NO5S (307.14533600000004)
5,8-dihydroxy-10-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
C17H13N3O3 (307.09568680000007)
2-hydroxy-n-[(1s)-1-[(3s)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]-3-methylbutyl]ethanimidic acid
(1r,7ar)-7-({[(2z)-3-hydroxyprop-2-enoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2e)-2-methylbut-2-enoate
(1r)-5-methoxy-1-(2-methylprop-1-en-1-yl)-1h,6h-furo[3,4-c]carbazol-3-one
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
(1s,18r,21r)-18-methyl-3,13,19-triazapentacyclo[11.7.1.0²,¹⁰.0⁴,⁹.0¹⁷,²¹]henicosa-2(10),4,6,8,16,19-hexaen-20-ol
5-(4-methoxybenzoyl)-2h-[1,3]dioxolo[4,5-g]isoquinoline
(2s)-2-({[(6s)-6-amino-7-oxo-1,5,6,7a-tetrahydroinden-1-yl](hydroxy)methylidene}amino)-3-(c-hydroxycarbonimidoyl)propanoic acid
17-methoxy-13-methyl-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(18),2(10),3,8,13,15(19),16-heptaen-11-one
n-[2-(1h-indol-3-yl)ethyl]-n-methyl-2-(methylamino)benzamide
Artabonatine
{"Ingredient_id": "HBIN016911","Ingredient_name": "Artabonatine","Alias": "NA","Ingredient_formula": "C18H13NO4","Ingredient_Smile": "COC1=C2C3=CC=CC=C3C(=O)C4=C2C(=C(C(=O)N4)OC)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32508","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-3-methylbut-2-enamide
15-hydroxy-16-methoxy-8-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10-carbaldehyde
14-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
10-{[2-(4-hydroxyphenyl)ethyl]amino}-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(14s,22s)-3,5,13-trioxa-11-azahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹⁴,²².0¹⁵,²⁰]docosa-1,6,8(21),15,17,19-hexaen-12-one
6-methoxy-2-(prop-1-en-2-yl)-1h,2h,7h-pyrano[3,4-c]carbazol-4-one
methyl (5e)-3-[(4-formylphenyl)amino]-4,7-dihydroxyoct-5-enoate
2-hydroxy-n-[1-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)-3-methylbutyl]ethanimidic acid
(6z,9s,10e)-9-hydroxy-6,10-dimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dien-3-one
16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁸.0¹³,¹⁷]heptadeca-1,3,7,9(17),11,13,15-heptaene-5,6-dione
2-{[2-(2-hydroxy-3-methoxy-5-oxofuran-2-yl)propyl]amino}benzoic acid
2-{[(6-amino-7-oxo-1,5,6,7a-tetrahydroinden-1-yl)(hydroxy)methylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoic acid
10-{[2-(4-hydroxyphenyl)ethyl]amino}-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,8(12),9-tetraen-11-one
(2z,9s)-9-hydroxy-3-methyl-n-(2-sulfoethyl)dec-2-enimidic acid
C13H25NO5S (307.14533600000004)
1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
15-hydroxy-14,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
8,14-dihydroxy-10-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
C17H13N3O3 (307.09568680000007)
methyl 3-[(4-formylphenyl)amino]-4,7-dihydroxyoct-5-enoate
(16s)-16-hydroxy-4,14,19-triazatetracyclo[15.3.1.0³,¹¹.0⁵,¹⁰]henicosa-1(20),3(11),5,7,9,17(21),18-heptaen-2-one
(10s)-8-hydroxy-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.0²,⁷.0¹³,¹⁹]icosa-2,4,6,8,11,13(19),15,17-octaen-20-one
C17H13N3O3 (307.09568680000007)
4-{[2-(2-hydroxy-3-methoxy-5-oxofuran-2-yl)propyl]amino}benzoic acid
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 1h-indole-3-carboxylate
(1r,3s,5s)-8-hydroxy-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
(15r,19r,20s)-19-hydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,11-hexaen-14-one
8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one
n-[2-(2,2-dimethylchromen-6-yl)ethyl]benzenecarboximidic acid
11-hydroxy-12,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
(1r,3r,5s,6s,7r)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-(3-hydroxyphenyl)acetate
(6z,10e)-9-hydroxy-6,10-dimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dien-3-one
(2r)-6-methoxy-2-(prop-1-en-2-yl)-1h,2h,7h-pyrano[3,4-c]carbazol-4-one
11-methoxy-2,2-dimethyl-5h-1-oxa-5-azatetraphen-10-one
5-hydroxy-10,11-dimethoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
(2r)-5-hydroxy-11-methyl-2-(prop-1-en-2-yl)-1h,2h-furo[2,3-c]acridin-6-one
10-hydroxy-5,11-dimethoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
(2s)-2-{[(2r)-2-amino-1-hydroxypropylidene]amino}-4-(6-aminopurin-9-yl)butanoic acid
5-methoxy-1-(2-methylprop-1-en-1-yl)-1h,6h-furo[3,4-c]carbazol-3-one
5-(2h-1,3-benzodioxol-5-ylmethyl)-2h-[1,3]dioxolo[4,5-g]isoquinoline
(2s)-5-hydroxy-11-methyl-2-(prop-1-en-2-yl)-1h,2h-furo[2,3-c]acridin-6-one
10-{[2-(4-hydroxyphenyl)ethyl]amino}-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
5-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
4-methoxy-1-methyl-3-(2,3,4-trihydroxy-3-methylbutyl)quinolin-2-one
15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
11-amino-4,5,9-trihydroxy-2-methylbenzo[b]fluoren-10-one
16-hydroxy-4,14,19-triazatetracyclo[15.3.1.0³,¹¹.0⁵,¹⁰]henicosa-1(20),3(11),5,7,9,17(21),18-heptaen-2-one
10,11-dihydroxy-5-oxo-7,8-dihydro-6-azatetraphene-1-carbaldehyde
3,5,13-trioxa-11-azahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹⁴,²².0¹⁵,²⁰]docosa-1,6,8(21),15,17,19-hexaen-12-one
(3s)-4-methoxy-3-(2-methylprop-1-en-1-yl)-3h,5h-furo[3,4-b]carbazol-1-one
n-[2-hydroxy-1-(5-hydroxy-6-methyloxan-2-yl)pyrimidin-4-ylidene]-2-methylbut-2-enamide
1-[(12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl]ethanone
(10s)-5,8-dihydroxy-10-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
C17H13N3O3 (307.09568680000007)
8-hydroxy-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.0²,⁷.0¹³,¹⁹]icosa-2,4,6,8,11,13(19),15,17-octaen-20-one
C17H13N3O3 (307.09568680000007)
14,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9(17),11,13-heptaene-8,15-dione
(2e)-n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-2-methylbut-2-enamide
(10s)-8,14-dihydroxy-10-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
C17H13N3O3 (307.09568680000007)