Exact Mass: 288.129398
Exact Mass Matches: 288.129398
Found 500 metabolites which its exact mass value is equals to given mass value 288.129398,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(R)-Myclobutanil
CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9239; ORIGINAL_PRECURSOR_SCAN_NO 9237 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9258; ORIGINAL_PRECURSOR_SCAN_NO 9257 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9204; ORIGINAL_PRECURSOR_SCAN_NO 9201 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9323; ORIGINAL_PRECURSOR_SCAN_NO 9321 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9296; ORIGINAL_PRECURSOR_SCAN_NO 9295 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9303; ORIGINAL_PRECURSOR_SCAN_NO 9300 CONFIDENCE standard compound; INTERNAL_ID 8383 CONFIDENCE standard compound; INTERNAL_ID 2563 D016573 - Agrochemicals D010575 - Pesticides
Imazamethabenz-methyl
Imazamethabenz-methyl is a herbicide. Activity and selectivity are due to differential de-esterification to the active parent acid in target and crop species. Imazamethabenz-methyl is used on cereals and sunflowers, especially against wild oat Herbicide. Activity and selectivity are due to differential de-esterification to the active parent acid in target and crop species. It is used on cereals and sunflowers, especies against wild oats CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1063
R-Soterenol
C12H20N2O4S (288.11437200000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
Difenpiramide
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Tetrazepam
Allergic reactions can develop to tetrazepam and it is considered to be a potential allergen. Drug rash and drug-induced eosinophilia with systemic symptoms is a known complication of tetrazepam exposure. These hypersensitive allergic reactions can be of the delayed type. Drowsiness is a common side effect of tetrazepam. A reduction in muscle force can occur. Myasthenia gravis, a condition characterised by severe muscle weakness is another potential adverse effect from tetrazepam. Cardiovascular and respiratory adverse effects can occur with tetrazepam similar to other benzodiazepines. Prolonged use, as with all benzodiazepines, should be avoided, as tolerance occurs and there is a risk of benzodiazepine dependence and a benzodiazepine withdrawal syndrome after stopping or reducing dosage. Tetrazepam (is marketed under the following brand names, Clinoxan, Epsipam, Myolastan, Musaril, Relaxam and Spasmorelax) is a benzodiazepine derivative with anticonvulsant, anxiolytic, hypnotic and muscle relaxant properties. It is used mainly in Austria, France, Belgium, Germany and Spain to treat muscle spasm, anxiety disorders such as panic attacks, or more rarely to treat depression, premenstrual syndrome or agoraphobia. Tetrazepam has relatively little sedative effect at low doses while still producing useful muscle relaxation and anxiety relief. Tetrazepam is an unusual benzodiazepine in its molecular structure as it has cyclohexenyl group which has substituted the typical 5-phenyl moiety seen in other benzodiazepines. Tetrazepam, is rapidly absorbed after oral administration, within 45 mins and reaches peak plasma levels in less than 2 hours. It is classed as an intermediate acting benzodiazepine with an elimination half-life of approximately 15 hours. It is primarily metabolised to the inactive metabolites 3-hydroxy-tetrazepam and norhydroxytetrazepam. The pharmacological effects of tetrazepam are significantly less potent when compared against diazepam, in animal studies. Tetrazepam is a benzodiazepine site agonist and binds unselectively to type 1 and type 2 benzodiazepine site types as well as to peripheral benzodiazepine receptors. The muscle relaxant properties of tetrazepam are most likely due to a reduction of calcium influx. Small amounts of diazepam as well as the active metabolites of diazepam are produced from metabolism of tetrazepam. The metabolism of tetrazepam has led to false accusations of prisoners prescribed tetrazepam of taking illicit diazepam; this can lead to increased prison sentences for prisoners. Tetrazepam, like other benzodiazepines is a drug which is very frequently used in overdoses. These overdoses are often mixed overdoses, i.e. a mixture of other benzodiazepines or other drug classes with tetrazepam. M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents
Ethylsuberenol
Ethylsuberenol is found in citrus. Ethylsuberenol is a constituent of Citrus sinensis (orange). Constituent of Citrus sinensis (orange). Ethylsuberenol is found in sweet orange and citrus.
Angeloylsenkyunolide F
Angeloylsenkyunolide F is found in green vegetables. Angeloylsenkyunolide F is a constituent of Angelica acutiloba (Dong Dang Gui). Constituent of Angelica acutiloba (Dong Dang Gui). Angeloylsenkyunolide F is found in green vegetables.
(±)-Rollipyrrole
(±)-Rollipyrrole is found in alcoholic beverages. (±)-Rollipyrrole is a constituent of the leaves of Rollinia mucosa (biriba). Constituent of the leaves of Rollinia mucosa (biriba). (±)-Rollipyrrole is found in alcoholic beverages and fruits.
2-(4-Methyl-1,3-pentadienyl)anthraquinone
2-(4-Methyl-1,3-pentadienyl)anthraquinone is found in fats and oils. 2-(4-Methyl-1,3-pentadienyl)anthraquinone is isolated from the hairy root culture of Sesamum indicum (sesame). Isolated from the hairy root culture of Sesamum indicum (sesame). 2-(4-Methyl-1,3-pentadienyl)anthraquinone is found in fats and oils.
4'-Methoxymucidin
4-Methoxymucidin is found in mushrooms. 4-Methoxymucidin is isolated from Oudemansiella mucida (porcelain fungus
Arginylasparagine
Arginylasparagine is a dipeptide composed of arginine and asparagine. 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.
Asparaginylarginine
Asparaginylarginine is a dipeptide composed of asparagine and arginine. 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.
Fospropofol
C13H21O5P (288.11265460000004)
Fospropofol is only found in individuals that have used or taken this drug. It is a prodrug and gets converted into Propofol in the liver. Fospropofol is, therefore, a short acting hypnotic/sedative/anesthetic agent. It has uses in general anesthesia, procedure sedation, and veterinary medicine.The action of propofol involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid (GABA) through GABA-A receptors. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid
3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is found in alcoholic beverages. 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is present in soy and worcester sauces, yeast extract and wine as the (3S)-diastereoisomers. 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is formed by Pictet-Spengler condensation of tryptophan with 4-oxobutanoic acid to give predominantly the cis-isomer Present in soy and worcester sauces, yeast extract and wine as the (3S)-diastereoisomers. Formed by Pictet-Spengler condensation of tryptophan with 4-oxobutanoic acid to give predominantly the cis-isomer. 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is found in alcoholic beverages and herbs and spices.
5-(Aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
Irtemazole
C26170 - Protective Agent > C921 - Uricosuric Agent
Piromidic acid
C14H16N4O3 (288.12223459999996)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
Soterenol monohydrochloride
C12H20N2O4S (288.11437200000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
Zaluzanin D
Zaluzanin d belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Zaluzanin d is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Zaluzanin d can be found in sweet bay, which makes zaluzanin d a potential biomarker for the consumption of this food product.
Batatasin V
2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol is a natural product found in Dioscorea floribunda, Empetrum nigrum, and Dioscorea preussii with data available.
[3aR-(3aalpha,4aalpha,6beta,7aalpha,9abeta)]-6-(Acetyloxy)decahydro-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2(3H)-one
4-Hydroxy-(3,7-dimethyl-1-oxo-octa-2-E-6-dienyl)benzoic acid
[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-6-(Acetyloxy)-3a,4,4a,5,6,8a,9,9a-octahydro-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Chloranthalactone C
Zaluzanin D
A sesquiterpene lactone that is decahydroazuleno[4,5-b]furan-2(3H)-one substituted by methylidene groups at positions 3, 6 and 9 and an acetlyoxy group at position 8. Isolated from Zaluzania triloba and Laurus nobilis, it exhibits trypanocidal activity.
DIAZOXON
C12H21N2O4P (288.12388760000005)
An organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2705
Ethyl 2-cyano-2-[4-(hydroxymethyl)-5-phenyl-1,3-oxazolan-2-yliden]acetate
3,5-dihydroxy-2,4-dimethoxy-4-methyl bibenzyl|stilbostemin P
(1R,2S,5R,6R)-2-(1-bromoethyl)-2,5-dimethyl-6-(pent-4-enyl)-tetrahydropyran
1beta-acetoxy-eudesma-4(15),7(11),8-trien-8,12-olide|1beta-acetoxyeudesman-4(15),7(11),8(9)-trien-8,12-olide
2-(2-Hydroxy-1-methyl-2-phenylethyl)-4,5-dimethoxyphenol
1alphaH,5alphaH,6betaH,7alphaH,8alpha-acetoxyguai-4(15),10(14),11(13)-trien-6,12-olide|8alpha-acetoxydehydrocostus lactone
isochemigossypol-1,2-dimethyl ether|isohemigossypol-1,2-dimethyl ether
Deca-2t,8t-dien-4,6-diinsaeure-deca-2t,8t-dien-4,6-diinylester|deca-2t,8t-diene-4,6-diynoic acid deca-2t,8t-diene-4,6-diynyl ester
Undecan-1,2,11-tricarbonsaeure|undecane-1,2,11-tricarboxylic acid
3-(1,1-Dimethyl-2-propenyl)-2,8-dimethoxy-5-methyl-4H-benzopyran-4-one
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)isobutyrate
(2,2-Dimethyl-2H-chromen-6ylcarbonylmethyl)-isobutyrat|12-Isobutyryloxy-demethoxyencecalin|2-Methylpropanlyl-6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran
2-Methoxy-4-(alpha-phenylbenzylidene)-2,5-cyclohexadiene-1-one
6,12-dimethoxy-3-(1,2-dihydroxyethyl)-beta-carboline
9-Acetoxy-8,10-dehydrothymol 3-O-tiglate
A natural product found in Eupatorium cannabinum subspecies asiaticum.
4,6-dimethyl-11-dimethoxymethyl-1-oxo-4H,2,3-dihydronaphthofuran
(5R,7S)-kurzilactone|(6R)-5,6-dihydro-6-[(2S,5E)-2-hydroxy-4-oxo-6-phenylhex-5-en-1-yl]-2H-pyran-2-one
(-)-11,13-diacetoxy-trideca-2,8-diene-4,6-diyne|Diacetyl-atractylodiol|Diacetylatractylodiol|O,O-diacetyl-atractylodiol
methyl (E)-3-[4-(acetyloxy)-3-(3-methyl-2-butenyl)phenyl]-2-propenoate|methyl-3-prenyl-4-acetoxycinnamate|plicatin B acetate
3alpha-acetoxyeudesma-1,4(15),11(13)-trien-12,6alpha-olide
4-Hydroxy-3-(3-methyl-2-butenoyl)-5-(3-methyl-2-butenyl)benzoic acid
4-(4-Hydroxy-3-methyl-2-butenyl)tryptophan|4-(Z-4-Hydroxy-3-methyl-Delta2-butenyl)-tryptophan|4--tryptophan
3-benzylidene-8,8a-dihydroxy-2-methyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
piromidic acid
C14H16N4O3 (288.12223459999996)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
broussoninE
broussonin E is a natural product found in Broussonetia papyrifera with data available. Broussonin E is a phenolic compound and shows anti-inflammatory activity. Broussonin E can suppress inflammation by modulating macrophages activation statevia inhibiting the ERK and p38 MAPK and enhancing JAK2-STAT3 signaling pathway. Broussonin E can be used for the research of inflammation-related diseases such as atherosclerosis[1]. Broussonin E is a phenolic compound and shows anti-inflammatory activity. Broussonin E can suppress inflammation by modulating macrophages activation statevia inhibiting the ERK and p38 MAPK and enhancing JAK2-STAT3 signaling pathway. Broussonin E can be used for the research of inflammation-related diseases such as atherosclerosis[1]. Broussonin E is a phenolic compound and shows anti-inflammatory activity. Broussonin E can suppress inflammation by modulating macrophages activation statevia inhibiting the ERK and p38 MAPK and enhancing JAK2-STAT3 signaling pathway. Broussonin E can be used for the research of inflammation-related diseases such as atherosclerosis[1].
Myclobutanil
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 2957
Tetrazepam
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3330
C17H20O4_3,6,9-Tris(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl acetate
C15H16N2O4_(2E,11aS)-2-Ethylidene-8-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
(3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl) acetate
PHA-00568487
CONFIDENCE standard compound; INTERNAL_ID 507; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5582; ORIGINAL_PRECURSOR_SCAN_NO 5580 CONFIDENCE standard compound; INTERNAL_ID 507; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5616; ORIGINAL_PRECURSOR_SCAN_NO 5614 CONFIDENCE standard compound; INTERNAL_ID 507; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5617; ORIGINAL_PRECURSOR_SCAN_NO 5616 CONFIDENCE standard compound; INTERNAL_ID 507; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5622; ORIGINAL_PRECURSOR_SCAN_NO 5621 CONFIDENCE standard compound; INTERNAL_ID 507; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5646; ORIGINAL_PRECURSOR_SCAN_NO 5644 CONFIDENCE standard compound; INTERNAL_ID 507; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5635; ORIGINAL_PRECURSOR_SCAN_NO 5633
(3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl) acetate_major
Methoxymucidin
1-(2-Carboxyethyl)-1,2,3,4-tetrahydro-b-carboline-3-carboxylic acid
(±)-Rollipyrrole
Angeloylsenkyunolide F
2-(4-Methyl-1,3-pentadienyl)anthraquinone
Musaril
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents
Pyrimido[1,2-a]benzimidazol-4-amine, 2-methyl-N-(2-methylphenyl)- (9CI)
Neutral Red
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004396 - Coloring Agents
Diethyl 3,5-Dimethoxybenzylphosphonate
C13H21O5P (288.11265460000004)
5-(t-Butyldimethylsilyloxy)-2,3-difluorophenylboronic acid
3-(3,5-DIMETHOXYBENZYLOXY)PHENYLBORON&
C15H17BO5 (288.11689820000004)
methyl 4-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)benzoate
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carbonitrile
(2S)-2-acetamido-N-(4-methyl-2-oxochromen-7-yl)propanamide
5-HYDROXY-2-(4-METHYL-PIPERAZINE-1-CARBONYL)-CHROMEN-4-ONE
Ethyl 1-(5-methyl-1,3-benzoxazol-2-yl)-4-piperidinecarboxylate
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrate,hydrochloride
thiodiethane-1,2-diyl bis(3-aminobut-2-enoate)
C12H20N2O4S (288.11437200000006)
Apaziquone
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
benzyl 2-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
benzyl 7-oxo-2,6-diazaspiro[4.5]decane-2-carboxylate
buta-1,3-diene,2-methylidenebutanedioic acid,styrene
3-(4-methoxyphenyl)-1-(2-naphthyl)-prop-2-en-1-one
PIPERIDINE-4-CARBOXYLIC ACID (4-TRIFLUOROMETHOXY-PHENYL)-AMIDE
N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
ETHYL 2-AMINO-5-(4-(METHOXYCARBONYL)PHENYL)-1H-PYRROLE-3-CARBOXYLATE
1-(BENZYLOXY)-4-(TERT-BUTYL)-2-(CHLOROMETHYL)BENZENE
4-Hydroxy-3-(3-methyl-2-buteyl)-5-(3-methyl-2-butenyl)benzoic acid
3-(Trifluoromethoxy)phenylboronic acid, pinacol ester
C13H16BF3O3 (288.11445319999996)
ETHYL 1-ALLYL-4-HYDROXY-7-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
2-(4-Fluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)-2-propanol
2-(tert-Butyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
C13H19F3N4 (288.15617299999997)
5-methoxy-N-[(4-methoxyphenyl)methyl]-2-nitroaniline
4,4,5,5-TETRAMETHYL-2-(4-(TRIFLUOROMETHOXY)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O3 (288.11445319999996)
2-(4-Methoxybenzyl)-2,8-diazaspiro[4.5]decane-1,3-dione
6-(3-(PYRIDIN-2-YL)-1H-PYRAZOL-4-YL)QUINAZOLIN-4-AMINE
4-(3,5-dimethoxybenzyloxy)phenylboronic acid
C15H17BO5 (288.11689820000004)
N-ethyl-N-propyl-3-propylsulfonyl-1,2,4-triazole-1-carboxamide
C11H20N4O3S (288.12560500000006)
8-(3-carboxy-1-methylpropylamino)-6-methoxyquinoline；Carboxyprimaquine
2-(Trifluoromethoxy)Phenylboronic Acid, Pinacol Ester
C13H16BF3O3 (288.11445319999996)
tert-Butyl 2-oxospiro[indoline-3,3-pyrrolidine]-1-carboxylate
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, hydrochloride (1:2), (4aR,7aR)-
(4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETICACIDETHYLESTER
C14H16N4O3 (288.12223459999996)
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
C12H16BF3N2O2 (288.12568619999996)
2-PIPERIDIN-4-YL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DIHYDROCHLORIDE
1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)CYCLOPROPANECARBOXYLIC ACID
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol
C13H16BF3O3 (288.11445319999996)
1,2,3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTURONIC ACID METHYL ESTER
(2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
C14H24O4S (288.13952240000003)
2-(2-fluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol
tert-Butyl 2,6-diazaspiro[3,3]heptane-2-carboxylate hemioxalate
METHYL 6-METHYL-4-(4-METHYLBENZOYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
5-(1-benzylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
C15H20N4S (288.14086000000003)
5-(4-(TERT-BUTOXYCARBONYL)PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
C12H16BF3N2O2 (288.12568619999996)
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenol
C13H16BF3O3 (288.11445319999996)
8-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-1,4-DIOXA-8-AZASPIRO[4.5]DECANE
(3,4-DIHYDRO-2H-1-BENZOTHIOPYRAN-4-YL)AMMONIUMCHLORIDE
C13H21O5P (288.11265460000004)
sodium dodecyl sulfate
C12H25NaO4S (288.13711700000005)
D013501 - Surface-Active Agents
Obidoxime
C14H16N4O3+2 (288.12223459999996)
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002801 - Cholinesterase Reactivators C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D004793 - Enzyme Reactivators
1-(2-Hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane
A monomethoxybenzene that is 2-methoxyphenol substituted by a 3-(2-hydroxy-4-methoxyphenyl)propyl group at position 4. Isolated from the stems of Combretum griffithii, it exhibits anticancer activity.
3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine
C15H20N4S (288.14086000000003)
N-(4-Hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)heptanamide
3-[5-(4-Chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine
N-(3R)-1-Azabicyclo(2.2.2)oct-3-yl-2,3-dihydro-1,4-benzodioxin-6-carboxamide
PHA 568487 free base is a selective alpha 7 nicotinic acetylcholine receptor (α-7 nAchR) agonist. PHA 568487 free base reduces neuroinflammation[1][2][3].
(1S)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(3-carbamoyloxirane-2-carbonyl)amino]propanoic acid
(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-[(3-carbamoyloxirane-2-carbonyl)amino]propanoate
1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
[3-carboxy-2-[(E)-4-carboxy-3-methylbut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-carboxypent-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-carboxypent-3-enoyl]oxypropyl]-trimethylazanium
3-(4-tert-butylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acrylamide
[4-(4-Fluorophenyl)-1-piperazinyl]-(2-methyl-3-pyrazolyl)methanone
4-[6-Amino-3-(4-methoxyphenyl)-1-pyridazin-1-iumyl]butanoic acid
C15H18N3O3+ (288.13480979999997)
1-(2-Methoxyphenyl)-4-(3-thiophenylmethyl)piperazine
1-(3-Pyridyl)-3-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiourea
C15H20N4S (288.14086000000003)
2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile
2-[[Oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester
3-[2-(2-Ethyl-1-piperidinyl)-2-oxoethyl]-1,3-benzoxazol-2-one
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethylidene]acetohydrazide
7-(4-Methoxyphenyl)-5-methyl-2-(methylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
O-adipoylcarnitine(1-)
A dicarboxylic acid monoanion that is the conjugate base of O-adipoylcarnitine; major spoecies at pH 7.3.
5-[3-(Dimethylamino)propylamino]-2-(2-fluorophenyl)-4-oxazolecarbonitrile
N-cyclopropyl-2,6-difluoro-N-(2-pyridinylmethyl)benzamide
methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluate
1-(2,4-Dimethoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)imino]propan-1-one
N-(3-chlorophenyl)-N,N-dimethyl-N-phenylpropane-1,3-diamine
methyl 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluate
[1-(4-Methoxyphenyl)-4-methylpentan-3-yl] hydrogen sulate
C13H20O5S (288.10313900000006)
(2S,10aS)-2,7-dihydroxy-6-methoxy-1,1-dimethyl-2,9,10,10a-tetrahydrophenanthren-3-one
6-Nitro-3-carbethoxy-2-methyl-1,7-trimethyleneindole
4-Nitro-3-carbethoxy-2-methyl-1,7-trimethyleneindole
Sodium lauryl sulfate
C12H25O4S. Na (288.13711700000005)
D013501 - Surface-Active Agents Same as: D01045
Fospropofol
C13H21O5P (288.11265460000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
N-(indole-3-acetyl)-L-leucine
An N-acyl-L-amino acid that is the N-indole-3-acetyl derivative of L-leucine.
N-(indole-3-acetyl)leucine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of leucine.
3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid
Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate
10-(acetyloxy)dec-2-en-4,6-diyn-1-yl 2-methylbut-2-enoate
(2e,4e,6r)-6-hydroxy-4,6-dimethyl-7-[4-(methylamino)phenyl]-7-oxohepta-2,4-dienimidic acid
(3s,3ar,4s,9as,9br)-3,6-dimethyl-9-methylidene-2-oxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(3ar,4ar,6s,8as,9ar)-8a-methyl-3,5-dimethylidene-2-oxo-3ah,4h,4ah,6h,9h,9ah-naphtho[2,3-b]furan-6-yl acetate
3,6-dimethyl-9-methylidene-2-oxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(3ar,4s,6ar,9ar,9br)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate
(3ar,4s,9ar,9br)-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(2r)-1-[(1z)-3-oxo-6,7-dihydro-2-benzofuran-1-ylidene]butan-2-yl (2z)-2-methylbut-2-enoate
7-(3-aminopropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid
C14H16N4O3 (288.12223459999996)
methyl (3e)-4-methoxy-2-(methoxymethylidene)-3-methyl-6-phenylhexa-3,5-dienoate
5,7-dimethoxy-2-methyl-8-(3-methylbut-2-en-1-yl)chromen-4-one
(6r)-6-[(2r,4r,5e)-2,4-dihydroxy-6-phenylhex-5-en-1-yl]-5,6-dihydropyran-2-one
3,5,8a-trimethyl-2-oxo-4h,4ah,7h,8h-naphtho[2,3-b]furan-8-yl acetate
5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxy-3-methylphenol
6-(2,4-dihydroxy-6-phenylhex-5-en-1-yl)-5,6-dihydropyran-2-one
3,4-diformyl-1,1,3,5-tetramethyl-2h-inden-2-yl acetate
(3r,3ar,4s,9bs)-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,9bh-azuleno[4,5-b]furan-4-yl acetate
({5-hydroxy-3-[(2-hydroxyethyl)imino]-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl}amino)acetic acid
2-[(2s)-4,9-dimethoxy-2h,3h-naphtho[2,3-b]furan-2-yl]propan-2-ol
4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]tridec-3-en-2-yl acetate
5-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
5a-methyl-3,9-dimethylidene-2-oxo-3ah,4h,5h,8h,9ah,9bh-naphtho[1,2-b]furan-8-yl acetate
(3s,4s)-4-acetyl-6,8-dihydroxy-5,7-dimethyl-3-[(1e)-prop-1-en-1-yl]-3,4-dihydro-2h-naphthalen-1-one
(2s)-3-hydroxy-2-{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-(methylimino)cyclohex-1-en-1-yl]amino}propanoic acid
7-methoxy-2,2-dimethylchromen-6-yl (2e)-2-methylbut-2-enoate
2-(4-methylpenta-1,3-dien-1-yl)anthracene-9,10-dione
1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 2',3''-di-me ether
{"Ingredient_id": "HBIN000653","Ingredient_name": "1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 2',3''-di-me ether","Alias": "NA","Ingredient_formula": "C17H20O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "57430-10-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9710","PubChem_id": "NA","DrugBank_id": "NA"}
2-(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-en-1-yl 2-methylpropanoate
2-[3-(3-hydroxy-4-methoxyphenyl)propyl]-4-methoxyphenol
(3s)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dihydropyrazine-2,5-diol
6-[(2r,4r,5e)-2,4-dihydroxy-6-phenylhex-5-en-1-yl]-5,6-dihydropyran-2-one
4-hydroxy-3-(3-methylbut-2-en-1-yl)-5-(3-methylbut-2-enoyl)benzoic acid
2-[3-(acetyloxy)prop-1-en-2-yl]-5-methylphenyl (2e)-2-methylbut-2-enoate
2-[(2-amino-1-hydroxypropylidene)amino]-3-({hydroxy[3-(c-hydroxycarbonimidoyl)oxiran-2-yl]methylidene}amino)propanoic acid
{[(3e)-5-hydroxy-3-[(2-hydroxyethyl)imino]-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
{5-methyl-8-methylidene-2-oxo-4h,4ah,7h,7ah,9h,9ah-azuleno[6,5-b]furan-3-yl}methyl acetate
[(5s)-9-hydroxy-4,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-3-yl]methyl acetate
(3s,6s)-6-benzyl-5-hydroxy-3-isopropyl-1-methyl-3,6-dihydro-1,4-diazepine-2,7-dione
(5e)-5-ethylidene-8,12-dihydroxy-13-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
5-[(1r)-1-hydroxyethyl]-2-methoxy-3-(3-methylbut-2-en-1-yl)chromen-4-one
{[(3e,5s)-5-hydroxy-3-[(2-hydroxyethyl)imino]-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
[(1s,9r,10r,12s,13r)-4,9-dimethyl-5-oxo-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3,7-dien-13-yl]methyl acetate
(3ar,4s,9as,9br)-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
[(4ar,8as,9as)-3,8a-dimethyl-2-oxo-4h,4ah,9h,9ah-naphtho[2,3-b]furan-5-yl]methyl acetate
2-[(2r)-4,9-dimethoxy-2h,3h-naphtho[2,3-b]furan-2-yl]propan-2-ol
3-[(2z)-3,7-dimethylocta-2,6-dienoyl]-4-hydroxybenzoic acid
3-(3-methylbut-2-en-1-yl)-4-[(3-methylbut-2-enoyl)oxy]benzoic acid
3-{3-methoxy-4-[(3-methylbuta-1,3-dien-1-yl)oxy]phenyl}prop-2-en-1-yl acetate
7,9-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-10-ol
(2e)-3-(3-methoxy-4-{[(1z)-3-methylbuta-1,3-dien-1-yl]oxy}phenyl)prop-2-en-1-yl acetate
3-(3-methylbut-2-en-1-yl)-4-[(2-methylbut-2-enoyl)oxy]benzoic acid
4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol
2-(2,2-dimethylchromen-6-yl)-2-oxoethyl 2-methylpropanoate
3-[(2e)-3,7-dimethylocta-2,6-dienoyl]-4-hydroxybenzoic acid
(5e,11e)-1-(acetyloxy)trideca-5,11-dien-7,9-diyn-3-yl acetate
(5e,7s)-5-ethylidene-8,12-dihydroxy-13-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
methyl (2e)-3-[4-(acetyloxy)-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoate
2-[(1e)-4-methylpenta-1,3-dien-1-yl]anthracene-9,10-dione
methyl (2r,4z)-5-hydroxy-2-(2-methylbut-3-en-2-yl)-3-oxo-5-phenylpent-4-enoate
(6s)-7-(3-aminopropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid
C14H16N4O3 (288.12223459999996)