Exact Mass: 238.1239
Exact Mass Matches: 238.1239
Found 500 metabolites which its exact mass value is equals to given mass value 238.1239,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pirimicarb
CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6664; ORIGINAL_PRECURSOR_SCAN_NO 6663 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6584; ORIGINAL_PRECURSOR_SCAN_NO 6582 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6632; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6671; ORIGINAL_PRECURSOR_SCAN_NO 6669 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6662; ORIGINAL_PRECURSOR_SCAN_NO 6661 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6612; ORIGINAL_PRECURSOR_SCAN_NO 6610 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2711 CONFIDENCE standard compound; INTERNAL_ID 8417 CONFIDENCE standard compound; INTERNAL_ID 4039 CONFIDENCE standard compound; INTERNAL_ID 2577 D010575 - Pesticides > D007306 - Insecticides KEIO_ID P177; [MS3] KO009152 KEIO_ID P177; [MS3] KO009153 KEIO_ID P177; [MS2] KO009151 D016573 - Agrochemicals KEIO_ID P177
Agroclavine
An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.
1,5-Dioxo-7a-methyloctahydro-1H-indene-4-propanoic acid
4'-Methoxychalcone
4-Methoxychalcone is found in citrus. 4-Methoxychalcone is reported to occur in Citrus limon (lemon) (unsubstantiated Reported to occur in Citrus limon (lemon) (unsubstantiated). 4-Methoxychalcone is found in lemon and citrus. 4-Methoxychalcone is a member of chalcones. 4'-Methoxychalcone regulates adipocyte differentiation through PPARγ activation. 4'-Methoxychalcone modulates the expression and secretion of various adipokines in adipose tissue that are involved in insulin sensitivity[1].
Secobarbital
Secobarbital is only found in individuals that have used or taken this drug. It is a barbiturate derivative drug. It possesses anaesthetic, anticonvulsant, sedative and hypnotic properties. In the United Kingdom, it was known as Quinalbarbitone. Secobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Benzyl cinnamate
Benzyl cinnamate is found in cumin. Benzyl cinnamate is isolated from various plant species. Benzyl cinnamate is present in Sumatra and Penang benzoin, Peru and tolu balsams, main constituent of copaiba balsam. Benzyl cinnamate is a flavouring agent. Benzyl cinnamate is isolated from various plant spp.. It is found in Sumatra and Penang benzoin, Peru and tolu balsams, main constituent of copaiba balsam. Can be used as a flavouring agent. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
15(R)-hydroperoxy-EPE
15(R)-hydroperoxy-EPE, also known as 4-(2-HYDROXYETHYL)-1-piperazine ethanesulfonate or Hepes, is classified as a member of the N-alkylpiperazines. N-alkylpiperazines are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group. 15(R)-hydroperoxy-EPE is considered to be soluble (in water) and acidic COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS D019995 - Laboratory Chemicals > D002021 - Buffers
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices. (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices.
Cinnamyl benzoate
Cinnamyl benzoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices. 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is isolated from parsley oil and other Petroselinum species. Isolated from parsley oil and other Petroselinum subspecies 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices and parsley.
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea. 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is a constituent of the essential oil Leptospermum scoparium (red tea). Constituent of the essential oil Leptospermum scoparium (red tea). 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea.
10,11-Dihydrocarbamazepine
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
4-(4-Aminophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
N,N-Dimethyl-4-(3-pyridin-4-ylprop-1-enyl)aniline
Potassium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent
Sporothriolide
A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi.
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators ORIGINAL_PRECURSOR_SCAN_NO 6773; CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775; ORIGINAL_PRECURSOR_SCAN_NO 6773 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6814 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6812 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6843; ORIGINAL_PRECURSOR_SCAN_NO 6841 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6841; ORIGINAL_PRECURSOR_SCAN_NO 6839 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6852; ORIGINAL_PRECURSOR_SCAN_NO 6850 Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
Pentaethylene glycol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5033; ORIGINAL_PRECURSOR_SCAN_NO 5030 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5065; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6656; ORIGINAL_PRECURSOR_SCAN_NO 6654 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5078; ORIGINAL_PRECURSOR_SCAN_NO 5077 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6681; ORIGINAL_PRECURSOR_SCAN_NO 6677 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6680; ORIGINAL_PRECURSOR_SCAN_NO 6679
(-)-heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol|(all-E)-1,7,9-Heptadecatriene-11,13,15-triyn-6-ol|heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol|trans.trans-Heptadecatrien-(1.7.9)-triin-(11.13.15)-ol-(6)
6.6-Dimethyl-5-methoxy-3-hydroxy-2-isobutyryl-cyclohexadien-(2.4)-on-(1) (Agglomeron)|Agglomeron|Agglomerone
(2E,8E,10E)-2,8,10,16-Heptadecatetraene-4,6-diyna|2,8,10,16-Heptadecatetraene-4,6-diynal|heptadeca-2t,8t,10t,16-tetraene-4,6-diynal
2-(3-Methyl-3-hydroxy-1-oxobutyl)-4-(1-hydroxyethyl)phenol
10-hydroxy-8,9-dioxyisopropylidene-thymol|9-hydroxy-8,10-isopropylendioxythymol
(E)-2-methoxy-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
(all-E)-5,7,9,15-Heptadecatetraene-11,13-diyn-4-one
(5E,7E,9Z)-5,7,9-Heptadecatriene-11,13,15-triyn-4-ol
(+)-(7S,8R)-4-hydroxy-3,7-dimethoxy-1,2,3,4,5,6,7-heptanorlign-8-one
decyl hydrogen sulfate
An alkyl sulfate that is the sulfuric ester of decanol.
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-1-pentanone
1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone|cucubaldiol
1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
(all-E)-1,7,9,15-Heptadecatetraene-11,13-diyn-6-one
1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-1-propanone
trans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane
2,6-Dimethyl-3-O-methyl-4-isobutyrylphloroglucinol
Benzyl_cinnamate
Benzyl cinnamate is the cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. It has a role as a flavouring agent, a fragrance, a fixative, an antigen and an epitope. Benzyl cinnamate is a natural product found in Friesodielsia velutina and Isotachis japonica with data available. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
secobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators CONFIDENCE standard compound; INTERNAL_ID 2307 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8346
PIRIMICARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
Metapramine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
HEPES
D019995 - Laboratory Chemicals > D002021 - Buffers MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JKMHFZQWWAIEOD-UHFFFAOYSA-N_STSL_0147_HEPES_2000fmol_180419_S2_LC02_MS02_32; 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.
2,2,4,4-tetramethyl-6-propanoylcyclohexane-1,3,5-trione
Cinnamein
Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butanone
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
tert-butyl 4-cyano-2-ethyl-3-oxopyrrolidine-1-carboxylate
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-nitrobenzene-1,3-diamine
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
tert-butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate
(2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDIN-3-YL)BORONIC ACID
5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
tert-butyl 3-(1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
2-Amino-6-fluoro pyridine-5-boronic acid pinacol ester
3-Fluoro-2-aminopyridine-5-boronic acid pinacol ester
8-METHYL-2,3-DIHYDROFURO[3,2-E]IMIDAZO-[1,2-C]PYRIMIDINE-9-CARBOXYLIC ACID
nealbarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
tert-Butyl (4-amino-2-methylbutan-2-yl)carbamate hydrochloride
tert-butyl N-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]carbamate
Benzene, 1-(benzyloxy)-4-(2-propynyloxy)- (7CI,8CI)
2-Methyl-5-(6-methyl-benzooxazol-2-yl)-phenylamine
1-(4-CHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE
N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-2-PYRIDIN-2-YL-ACETAMIDE
Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate
2,2-dimethylpropane-1,3-diyl cyclohex-4-ene-1,2-dicarboxylate
tert-butyl 2-methoxy-4,6-dimethylpyrimidine-5-carboxylate
4-Fluoro-3-hydroxyphenylboronic acid pinacol ester
Acetonitrile,(p-aminophenyl)(p-methoxyphenyl)- (7CI,8CI)
N-(4-AMINOBUTYL)-N-METHYL CARBAMIC ACID TERT-BUTYL ESTER-HCl
(7S)-7-Amino-5,7-dihydro-5-methyl-6H-dibenz[b,d]azepin-6-one
TERT-BUTYL 3-AMINO-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
(4-((TERT-BUTOXYCARBONYL)AMINO)PYRIDIN-3-YL)BORONIC ACID
[6-[(tert-Butoxycarbonyl)amino]pyridin-3-yl]boronic acid
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
(S)-(2-methoxyphenyl)((tetrahydro-2H-pyran-4-yl)oxy)methanol
7-cyclopropyl-2,7-diazaspiro[3.5]nonane (dihydrochloride)
1H-Indole,2,3-dihydro-7-(1-methylethyl)-2-(3-pyridinyl)-(9CI)
ALPHA-METHYL-N-PHENYL-1H-BENZOTRIAZOLE-1-METHANAMINE
4-(5-ETHYL-2-METHOXY-PHENYL)-4-HYDROXY-BUTYRIC ACID
6-(5,6-dimethyl-1,3-dihydrobenzoimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]isoxazole-3-carboxylic acid
5-Fluoro-2-hydroxyphenylboronic acid, pinacol ester
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)ETHANOL
tert-butyl3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate
tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
4-(4-ETHOXY-3-METHYL-PHENYL)-4-HYDROXY-BUTYRIC ACID
Cicloprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Semaxanib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
PhiKan 083 is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM. PhiKan 083 can be used for cancer research[1].
(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-6-methyl-4-oxo-, ethyl ester
Benzeneacetic acid, 4-methoxy-, trimethylsilyl ester
Acetic acid, [p-(trimethylsiloxy)phenyl]-, methyl ester
Acetic acid, phenyl(trimethylsiloxy)-, methyl ester
Acetic acid, (m-methoxyphenyl)-, trimethylsilyl ester
1-(5-Methoxy-2-[(trimethylsilyl)oxy]phenyl)ethanone
Acetic acid, [m-(trimethylsiloxy)phenyl]-, methyl ester
4-(Acetylamino)-3-[(diaminomethyl)amino]benzoic acid
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
hydrogen (1S)-1-[(2S)-2-amino-4-methylpentanamido]ethylphosphonate
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine
2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine
2-Chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide
3-Methoxy-6-methyl-5-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol
1,2-DI-Tert-butyl-1,2-difluoro-1,2-dimethyldisilane
3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester
Bicyclo[3.2.0]heptan-2-one, 5-methyl-6-trimethylsilyloxy-6-vinyl-
2-(Trimethylsilylmethyl)benzaldehyde dimethyl acetal
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5, a methyl substituent at position 7a and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
2-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-hydroxy-2,7-bis(prop-1-en-1-yl)-hexahydrofuro[3,4-b]pyran-5-one
(2s,7r)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),3,9,12,14-pentaene
1-[(1s,3s,6s,7r)-1,7-dihydroxy-3,6-dimethyl-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-9-yl]ethanone
3-(1,2-dihydroxybut-3-en-1-yl)-4-(pent-1-en-1-yl)-5h-furan-2-one
(6r,7e,9e)-heptadeca-1,7,9-trien-11,13,15-triyn-6-ol
2-hydroxy-3-methyl-6-[(2s,4s)-4-methyl-3-oxohexan-2-yl]pyran-4-one
(2r,3e)-4-(3,4-dimethoxyphenyl)-2-methoxybut-3-en-1-ol
(2r,3s)-3-(3,5-dihydroxy-2-methylphenyl)butan-2-yl acetate
3-[(1s,2s)-1,2-dihydroxybut-3-en-1-yl]-4-[(1e)-pent-1-en-1-yl]-5h-furan-2-one
6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydrochromen-4-one
(2r,3s,4r,5s,6r)-2-[(1,3-dihydroxypropan-2-yl)oxy]-6-methyloxane-3,4,5-triol
1,7,9-heptadecatriene-11,13,15-triyn-6-ol; (all-e)-form
{"Ingredient_id": "HBIN001979","Ingredient_name": "1,7,9-heptadecatriene-11,13,15-triyn-6-ol; (all-e)-form","Alias": "NA","Ingredient_formula": "C17H18O","Ingredient_Smile": "NA","Ingredient_weight": "238.32","OB_score": "NA","CAS_id": "16697-23-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9479","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-propane-1,2-diol 1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN006823","Ingredient_name": "(2s)-propane-1,2-diol 1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C9H18O7","Ingredient_Smile": "CC(COC1C(C(C(C(O1)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17897","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
