Exact Mass: 307.1419656
Exact Mass Matches: 307.1419656
Found 500 metabolites which its exact mass value is equals to given mass value 307.1419656,
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
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
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
m344
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
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
Ibopamine
Ibopamine is a sympathomimetic used in ophthalmology. It induces mydriasis. It also has been investigated for use in the treatment of congestive heart failure. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FB - Sympathomimetics excl. antiglaucoma preparations D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
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.
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.
4-Phenylbutanoylcarnitine
4-Phenylbutanoylcarnitine is an acylcarnitine. More specifically, it is an 4-phenylbutanoic 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. 4-Phenylbutanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Phenylbutanoylcarnitine 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].
6-(7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide
Buflomedil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
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].
Buflomedil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3068
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
Me glycoside,N-Ac,4,6-O-benzylidene-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
2-(3,5-Dimethyl-2-oxo-4,6-octadienyl)tetrahydro-6-oxo-2H-pyran-4-acetamide
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
(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
1-(2-hydroxy-3-methyl)-butyl-hydrocotarnine
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
(Methoxymethyl)triphenylphosphonium
CONFIDENCE standard compound; INTERNAL_ID 2485
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
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxybutanoyl)-2,2-dimethyl-4H-4-chromanone
Ibopamine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FB - Sympathomimetics excl. antiglaucoma preparations D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
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
ETHYL 4-(BENZYL(2-ETHOXY-2-OXOETHYL)AMINO)BUTANOATE
(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
Trocimine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
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
METHYL 2-N-BOC-2-AMINOMETHYL)-3-M-TOLYL-PROPIONATE
((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)
ETHYL 4-((1-METHYLPIPERIDIN-4-YL)METHOXY)-3-METHOXYBENZOATE
4-[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]benzonitrile
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)
methyl 2-[(4-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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
1H-Pyrrolo[2,3-b]pyridin-5-amine, 4-fluoro-1-[tris(1-methylethyl)silyl]-
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
b-Alanine,N-(3-methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-, ethyl ester
3-(3-4-FLUOROPHENYL-1-ISOPROPYL-1H-INDOLE-2-YL) PROPENAL
4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzonitrile
(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)
2-N-BOC-2-METHYLAMINOMETHYL-3-M-TOLYL-PROPIONIC ACID
2-N-BOC-2-METHYLAMINOMETHYL-3-P-TOLYL-PROPIONIC ACID
b-Alanine,N-(3-ethoxy-3-oxopropyl)-N-(phenylmethyl)-, ethyl ester
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)
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
5-(1-Piperidinylmethyl)thiophene-2-boronic acid pinacol ester
C16H26BNO2S (307.17772060000004)
tert-butyl 4-(5-amino-2-methoxyphenyl)piperazine-1-carboxylate
A-68930 hydrochloride
A68930 hydrochloride, as a dopamine D1 receptor agonist, can be used for the research of bronchiectasis[1].
(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)
3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-ISOPROPYLPHENYL)PROPANOIC ACID
1-Boc-4-(((3-Aminopyridin-2-yl)oxy)methyl)piperidine
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
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)
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
N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
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
L-Alanyl-N-[(1s,2r)-1-Benzyl-2-Hydroxypropyl]-L-Alaninamide
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
1-(4-Hydroxy-3-methoxycinnamoylamino)-4-guanidinobutane
C15H23N4O3+ (307.17700679999996)
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-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-ol
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)
3-Methyl-2-[[oxo-(4-pentoxyphenyl)methyl]amino]butanoic acid
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
(2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
(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
(2R,3R)-8-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3R)-10-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3S)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3S)-10-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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
(2R,3R)-8-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-8-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-8-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-10-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3R)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-10-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(methylaminomethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
(Z)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenyl)prop-2-enenitrile
(E)-N-[3-(4-aminobutylamino)propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
(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
N-dodecanoyltaurine
A fatty acid-taurine conjugate derived from dodecanoic acid.
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].
2-{[(6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl)(hydroxy)methylidene]amino}-3-methylbutanoic acid
(2z,4e)-n-(2-{[(3s)-2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl]-c-hydroxycarbonimidoyl}ethyl)-6-methylhepta-2,4-dienimidic acid
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
6-hydroxy-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
(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
(5e,8r,9e)-3-(2-methoxy-2-oxoethyl)-8,10-dimethyl-7-oxododeca-5,9,11-trienimidic acid
(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
(2s)-2-({[(3ar,6r,7ar)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-3-methylbutanoic acid
(2s)-2-({[(6s)-6-amino-7-oxo-1,5,6,7a-tetrahydroinden-1-yl](hydroxy)methylidene}amino)-3-(c-hydroxycarbonimidoyl)propanoic acid
(1's,2'r,3's,4s,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[oxolane-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione
n-[2-(1h-indol-3-yl)ethyl]-n-methyl-2-(methylamino)benzamide
6-hydroxydendroxine
{"Ingredient_id": "HBIN012430","Ingredient_name": "6-hydroxydendroxine","Alias": "NA","Ingredient_formula": "C17H25NO4","Ingredient_Smile": "CC(C)C1C2C(=O)OC1C34C5(C2(CCC5CN3CCO4)O)C","Ingredient_weight": "307.389","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9983","TCMSP_id": "NA","TCM_ID_id": "7545","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
2-{2-[(4e,6z)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid
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
10-{[2-(4-hydroxyphenyl)ethyl]amino}-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(1r,2r,5s,6r,9s,15s,16s)-6-hydroxy-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-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
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
2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic 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
(1s,2r,3s,6r,11s)-3-methyl-11-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-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
3-methyl-11-(4-methyl-5-oxooxolan-2-yl)-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-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
9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
(1s,2r,3s)-3-methyl-11-[(2s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-one
(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
(2r)-2-({[(3as,6r,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-3-methylbutanoic acid
6-hydroxy-4-[(6e,8e)-2-hydroxy-5,7-dimethyl-4-oxodeca-6,8-dien-1-yl]-4,5-dihydro-3h-pyridin-2-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
6-hydroxy-4-[(2r,5s,6e,8z)-2-hydroxy-5,7-dimethyl-4-oxodeca-6,8-dien-1-yl]-4,5-dihydro-3h-pyridin-2-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
(2r)-5-hydroxy-11-methyl-2-(prop-1-en-2-yl)-1h,2h-furo[2,3-c]acridin-6-one
(1r,2r,5r,6s,9s,15r,16r)-16-hydroxy-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
n-{[(1s,2s,4s,7z,11s,12r)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-12-yl]methyl}ethanimidic acid
(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
(6s,6ar,8s,9s,10r,10ar)-9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[oxolane-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione
(2s)-5-hydroxy-11-methyl-2-(prop-1-en-2-yl)-1h,2h-furo[2,3-c]acridin-6-one
(1's,2s,2'r,3's,4s,6'r)-3'-ethyl-4-methyl-5'-oxa-10'-azaspiro[oxolane-2,4'-tricyclo[8.3.0.0²,⁶]tridecane]-5,11'-dione
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
4-methoxy-1-methyl-3-(2,3,4-trihydroxy-3-methylbutyl)quinolin-2-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
(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)
(2e)-n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-2-methylbut-2-enamide
3-{[(2e,4e,6e,8e)-1,13-dihydroxytetradeca-2,4,6,8-tetraen-1-ylidene]amino}propanoic acid
(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)