Exact Mass: 238.0953524
Exact Mass Matches: 238.0953524
Found 500 metabolites which its exact mass value is equals to given mass value 238.0953524,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Felbamate
Felbamate is an anticonvulsant drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. It has a weak inhibitory effect on GABA receptor binding sites. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Felbamate (W-554) is a potent nonsedative anticonvulsant whose clinical effect may be related to the inhibition of N-methyl-D-aspartate (NMDA).
Xanthopterin-B2
A member of the class of pteridines that is 7,8-dihydropteridine-2,4(1H,3H)-dione carrying a lactoyl group at position 6.
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].
Glycyltyrosine
Glycyltyrosine is a dipeptide composed of glycine and tyrosine. 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. Gly-Tyr is a dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a glycine and a L-tyrosine. A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. Glycyl-L-tyrosine is a dipeptide containing glycine and L-tyrosine[1].
3,4,5-Trimethoxycinnamic acid
3, 4, 5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate. 3, 4, 5-Trimethoxycinnamic acid is an organic acid found in normal human urine (PMID:6992730, 6511847). Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID:16313198). 3,4,5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate. 3,4,5-Trimethoxycinnamic acid is a natural product found in Piper tuberculatum, Polygala tenuifolia, and Piper swartzianum with data available. 3,4,5-Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2].
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
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-ol
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is found in herbs and spices. 1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is a constituent of Acorus calamus (sweet flag)
(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.
Tyrosylglycine
Tyrosylglycine is a dipeptide composed of asparagine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Tyrosylglycine has been identified in the human placenta (PMID: 32033212).
Trans-2, 3, 4-Trimethoxycinnamate
Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID: 16313198) [HMDB] Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID: 16313198).
gamma-Glutaminyl-4-hydroxybenzene
gamma-Glutaminyl-4-hydroxybenzene is found in mushrooms. gamma-Glutaminyl-4-hydroxybenzene is isolated from the gill tissue of the edible mushrooms Agaricus bisporus (button mushroom) and Agaricus hortensi
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
Acefylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2]. Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3]. Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].
N7-(2-Carbamoyl-2-hydroxyethyl)guanine
C8H10N6O3 (238.08143500000003)
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].
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
(S)-(+)-1-(p-Hydroxy-trans-cinnamoyl)-glycerol
(s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol can be found in corn, which makes (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol a potential biomarker for the consumption of this food product.
ObtucarbamateA
Obtucarbamate A isolated from Disporum cantoniense has antitussive activity[1].
2,3,5-Trimethoxy-6-(1E)-1-propenyl-2,5-cyclohexadiene-1,4-dione
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.
7-Hydroxy-3-(2,3-dihydroxybutyl)-1(3H)-isobenzofuranone
3-(2-Hydroxyphenyl)-4-(3H)-quinazolinone
C14H10N2O2 (238.07422400000002)
Acefylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2]. Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3]. Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].
4-(cis)-acetyl-3,6,8-trihydroxy-3-methyldihydronaphalrnone
1-(3-Methyl-2-oxo-3-pyrrolinyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylic acid
Methyl 4-hydroxy-3,5-dimethoxycinnamate; Sinapic acid methyl ester
6.6-Dimethyl-5-methoxy-3-hydroxy-2-isobutyryl-cyclohexadien-(2.4)-on-(1) (Agglomeron)|Agglomeron|Agglomerone
2-(3-Methyl-3-hydroxy-1-oxobutyl)-4-(1-hydroxyethyl)phenol
Me ether,di-Me ester-Hydroxyphenylpropanedioic acid
10-hydroxy-8,9-dioxyisopropylidene-thymol|9-hydroxy-8,10-isopropylendioxythymol
5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone
(E)-2-methoxy-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
4(3h)-quinazolinone,3-(2-hydroxyphenyl)-
C14H10N2O2 (238.07422400000002)
(R)-4-methoxy-7-(2-oxopropyl)-7,8-dihydropyrano[4,3-b]pyran-2(5H)-one|pyrenocine K
(+)-(7S,8R)-4-hydroxy-3,7-dimethoxy-1,2,3,4,5,6,7-heptanorlign-8-one
(3S)-3-((R)-1-hydroxyethyl)-6,8-dihydroxy-7-methyl-3,4-dihydroisocoumarin
1-Vinyl-beta-carboline-3-carboxylic acid
C14H10N2O2 (238.07422400000002)
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-1-pentanone
3-Hydroxy-4-methoxy-1-(4-hydroxy-1,3-dioxo-2-methyl-butyl)-benzol|3-Hydroxy-4-methoxy-1-<4-hydroxy-1,3-dioxo-2-methyl-butyl>-benzol
4,6-dehydro-1,2,4,5-tetrahydro-2,5-dioxopilocarpin
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
(3R*,4R*)-3,4-dihydro-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxynaphthalen-1(2H)-one|balticol B
1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-1-propanone
(E)-5-oxo-3-(prop-1-enyl)cyclopent-3-ene-1,2-diyl diacetate|diacetylterrein|Terreindiacetat
2,3-Dimethoxy-5-(1-methyl-2-oxopropyl)-1,4-benzoquinone
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].
3,4,5-Trimethoxycinnamic acid
IPB_RECORD: 2381; CONFIDENCE confident structure (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2].
3,4,5-Trimethoxycinnamic_acid
Acquisition and generation of the data is financially supported by the Max-Planck-Society
felbamate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Felbamate (W-554) is a potent nonsedative anticonvulsant whose clinical effect may be related to the inhibition of N-methyl-D-aspartate (NMDA).
2-(2-Hydroxy-phenyl)-3H-quinazolin-4-one
C14H10N2O2 (238.07422400000002)
(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetic acid
(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
OCP_239.0946_17.0
C12H15ClN2O (238.08728499999998)
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1301
(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
4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
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.
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based: Match]
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based on: CCMSLIB00000848590]
1,4-Diaminoanthraquinone
C14H10N2O2 (238.07422400000002)
CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4327; ORIGINAL_PRECURSOR_SCAN_NO 4323 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4334; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4296; ORIGINAL_PRECURSOR_SCAN_NO 4294 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4319; ORIGINAL_PRECURSOR_SCAN_NO 4316 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4313; ORIGINAL_PRECURSOR_SCAN_NO 4311 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4308; ORIGINAL_PRECURSOR_SCAN_NO 4305 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8355; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8381; ORIGINAL_PRECURSOR_SCAN_NO 8379 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8411; ORIGINAL_PRECURSOR_SCAN_NO 8406 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8402 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8428; ORIGINAL_PRECURSOR_SCAN_NO 8425
Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]-
Tyr-Gly
A dipeptide formed from L-tyrosine and glycine residues.
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].
2-(3-methylpyridin-2-yl)isoindole-1,3-dione
C14H10N2O2 (238.07422400000002)
2-(2-FLUOROBENZYL)ACETOACETIC ACID ETHYL ESTER
C13H15FO3 (238.10051719999998)
Propanedioic acid,2-(2-furanylmethylene)-, 1,3-diethyl ester
5-METHYL-4-PROPOXY-1,3-PHENYLENEBISBORONIC ACID
C10H16B2O5 (238.11837859999997)
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
ethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
C14H19ClO (238.11243539999998)
tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate
C10H19ClO4 (238.09718039999998)
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbaldehyde
2-CHLORO-1-(4-HEXYL-PHENYL)-ETHANONE
C14H19ClO (238.11243539999998)
2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLIC ACID
C14H10N2O2 (238.07422400000002)
1-(4-tert-butylphenyl)-4-chlorobutan-1-one
C14H19ClO (238.11243539999998)
1-(4-FLUORO-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLICACID
(2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDIN-3-YL)BORONIC ACID
6-Benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
C14H10N2O2 (238.07422400000002)
5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
3-(1H-1,3-benzodiazol-1-yl)benzoic acid
C14H10N2O2 (238.07422400000002)
2-(4-aminophenyl)isoindole-1,3-dione
C14H10N2O2 (238.07422400000002)
1-(4-PIPERIDYL)-1H-1,2,3-BENZOTRIAZOLE HYDROCHLORIDE
C11H15ClN4 (238.09851799999998)
(9,9-Dimethyl-9H-fluoren-2-yl)boronic acid
C15H15BO2 (238.11650400000002)
4(3H)-Quinazolinone,3-hydroxy-2-phenyl-
C14H10N2O2 (238.07422400000002)
2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
1H-Isoindole-1,3(2H)-dione, 2-(6-methyl-2-pyridinyl)-
C14H10N2O2 (238.07422400000002)
4-(PIPERIDIN-4-YLOXY)-BENZONITRILE HYDROCHLORIDE
C12H15ClN2O (238.08728499999998)
6-tert-butoxycarbonylamino-pyridine-2-carboxylic acid
1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]-PYRAZINE-6-CARBOXYLIC ACID
2-chloro-1-(4-phenylpiperazin-1-yl)ethanone
C12H15ClN2O (238.08728499999998)
3-(1H-Benzimidazol-2-yl)benzoic acid
C14H10N2O2 (238.07422400000002)
2-PHENYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
C14H10N2O2 (238.07422400000002)
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine
C14H10N2O2 (238.07422400000002)
6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE
C12H15ClN2O (238.08728499999998)
1-phenyl-1H-benzo[d]imidazole-2-carboxylic acid
C14H10N2O2 (238.07422400000002)
2-Phenylh-imidazo[1,2-a]pyridin-6-ylboronic acid
C13H11BN2O2 (238.09135360000002)
5-NAPHTHALEN-1-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID
C14H10N2O2 (238.07422400000002)
2,5-Dimethoxy-beta-oxobenzenepropanoic acid methyl ester
N-(4-chlorophenyl)piperidine-4-carboxamide
C12H15ClN2O (238.08728499999998)
2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-(2,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
PIPERIDINE-3-CARBOXYLIC ACID (4-CHLORO-PHENYL)-AMIDE
C12H15ClN2O (238.08728499999998)
Benzene, 1-(benzyloxy)-4-(2-propynyloxy)- (7CI,8CI)
3-([(DIETHYLAMINO)CARBONYL]OXY)-4-PYRIDINECARBOXYLIC ACID
2-Methyl-5-(6-methyl-benzooxazol-2-yl)-phenylamine
2-(PIPERIDIN-3-YL)BENZO[D]OXAZOLE
C12H15ClN2O (238.08728499999998)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde
2-(2-CHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
5-NAPHTHALEN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID
C14H10N2O2 (238.07422400000002)
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol,2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
4-Fluoro-3-hydroxyphenylboronic acid pinacol ester
C12H16BFO3 (238.11764680000002)
Benzo[b]naphtho[2,3-d]thiophene,7,8,9,10-tetrahydro-
2-PHENYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
C14H10N2O2 (238.07422400000002)
Acetonitrile,(p-aminophenyl)(p-methoxyphenyl)- (7CI,8CI)
2-Phenylimidazo[1,2-a]pyridine-3-carboxylic acid
C14H10N2O2 (238.07422400000002)
(7S)-7-Amino-5,7-dihydro-5-methyl-6H-dibenz[b,d]azepin-6-one
1(2H)-Isoquinolinone, 2-(3-aminopropyl)-, hydrochloride (1:1)
C12H15ClN2O (238.08728499999998)
4-benzylpiperazine-1-carbonyl chloride
C12H15ClN2O (238.08728499999998)
2-(2-HYDROXY-PHENYL)-3H-QUINAZOLIN-4-ONE
C14H10N2O2 (238.07422400000002)
2,4(1H,3H)-Quinazolinedione,3-phenyl-
C14H10N2O2 (238.07422400000002)
Piperidine, 1-[(2-chloro-3-pyridinyl)carbonyl]-3-methyl- (9CI)
C12H15ClN2O (238.08728499999998)
dimethyl 5-methoxy-3-methylbenzene-1,2-dicarboxylate
3-(ETHYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID
C9H11BN2O5 (238.07609860000002)
(4-((TERT-BUTOXYCARBONYL)AMINO)PYRIDIN-3-YL)BORONIC ACID
2-(2-PYRIMIDINYL)PROPANEDIOIC ACID 1,3-DIETHYL ESTER
3-(3,5-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
3-(2,3-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
[6-[(tert-Butoxycarbonyl)amino]pyridin-3-yl]boronic acid
5a-hydroxy-5,5a-dihydro-pyrido[4,3:4,5]pyrrolo[2,1-a]isoindol-10-one
C14H10N2O2 (238.07422400000002)
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
(9,9-dimethyl-9H-fluoren-4-yl)boronic acid
C15H15BO2 (238.11650400000002)
3-(DIMETHYLCARBAMOYL)-5-NITROPHENYL)BORONIC ACID
C9H11BN2O5 (238.07609860000002)
7-cyclopropyl-2,7-diazaspiro[3.5]nonane (dihydrochloride)
(6E)-6-(5-phenyl-3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one
C14H10N2O2 (238.07422400000002)
3-(2-HYDROXY-4-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
2-CHLORO-N-(4-PYRROLIDIN-1-YL-PHENYL)-ACETAMIDE
C12H15ClN2O (238.08728499999998)
6-(5,6-dimethyl-1,3-dihydrobenzoimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
5-Fluoro-2-hydroxyphenylboronic acid, pinacol ester
C12H16BFO3 (238.11764680000002)
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
ISOPROPYL β-D-THIOGLUCOPYRANOSIDE
Spiro[3H-indole-3,4-piperidin]-2(1H)-one Hydrochloride
C12H15ClN2O (238.08728499999998)
(4-AMINO-PIPERIDIN-1-YL)-(4-CHLORO-PHENYL)-METHANONE
C12H15ClN2O (238.08728499999998)
2-(4-FLUOROBENZYL)ACETOACETICACIDETHYLESTER
C13H15FO3 (238.10051719999998)
Cinametic acid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics
Benzoic acid,2-(1H-benzimidazol-2-yl)-
C14H10N2O2 (238.07422400000002)
Cicloprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-METHYL-1-OXO-1,2-DIHYDROBENZO[B]-1,6-NAPHTHYRIDINE-4-CARBALDEHYDE
C14H10N2O2 (238.07422400000002)
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
(3E)-3-[(4-Hydroxyphenyl)imino]-1H-indol-2(3H)-one
C14H10N2O2 (238.07422400000002)
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-
Velaresol
D020011 - Protective Agents > D011837 - Radiation-Protective Agents D006401 - Hematologic Agents > D000986 - Antisickling Agents C78275 - Agent Affecting Blood or Body Fluid C26170 - Protective Agent
(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
N7-(2-Carbamoyl-2-hydroxyethyl)guanine
C8H10N6O3 (238.08143500000003)
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
1,3-Diphenyl-1,3-diazetidine-2,4-dione
C14H10N2O2 (238.07422400000002)
1-(4-Chlorophenyl)piperazine, acetyl
C12H15ClN2O (238.08728499999998)
Carbamic acid, (2-chloroethylidene)di-, diethyl ester
C8H15ClN2O4 (238.07202999999998)
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
3-(3-Hydroxy-7,8-dihydro-6H-cyclohepta[D]isoxazol-4-YL)-L-alanine
(2r)-3-{[(Benzylamino)carbonyl]amino}-2-Hydroxypropanoic Acid
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].
3-Carboxy-4-methyl-5-propyl-2-furanpropionate(2-)
C12H14O5-2 (238.08411940000002)
hydrogen (1S)-1-[(2S)-2-amino-4-methylpentanamido]ethylphosphonate
C8H19N2O4P (238.10823839999998)
6-(2-hydroxypropanoyl)-4a,7-dihydro-1H-pteridine-2,4-dione
(2S)-2-amino-4-(2-amino-3-hydroxy-4-methylphenyl)-4-oxobutanoic acid
[(1S)-1-(L-Leucylamino)ethyl]phosphonic acid
C8H19N2O4P (238.10823839999998)
(2R)-2-amino-4-(2-amino-3-hydroxy-4-methylphenyl)-4-oxobutanoic acid
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole
2-Chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone
C14H19ClO (238.11243539999998)
2-(2,3-Dihydroxypropylamino)-5-nitro-3-pyridinecarbonitrile
Phenyl 2-cyano-2-pyridin-2-ylacetate
C14H10N2O2 (238.07422400000002)
3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester
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-carboxy-4-methyl-5-propylene-2-furanpropanoic acid
Tyr-Gly zwitterion
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-tyrosylglycine; major species at pH 7.3.