Exact Mass: 249.111336
Exact Mass Matches: 249.111336
Found 500 metabolites which its exact mass value is equals to given mass value 249.111336,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
S-Acetyldihydrolipoamide
S-Acetyldihydrolipoamide is a thio-acetylated form of dihydrolipoamide. The molecule is commonly conjugated to lysine residues. The structure shown is the free form of the molecule. Pyruvate dehydrogenase complex. The reaction is 2-(alpha-hydroxyethyl)-TPP + lipoamide => S-acetyldihydrolipoamide + TPP [Homo sapiens], occuring in mitochondrial matrix. (reactome.org). S-Acetyldihydrolipoamide is an intermediate in alanine, aspartate and pyruvate metabolism and glycolysis/gluconeogenesis (KEGG:C01136). It is converted from 2-hydroxyethyl-THPP and lipoamide via the enzyme pyruvate dehydrogenase (EC:1.2.4.1). It is then converted to acetyl-CoA via the enzyme pyruvate dehydrogenase E2 component (dihydrolipoamide acetyltransferase) (EC:2.3.1.12). S-Acetyldihydrolipoamide is a thio-acetylated form of dihydrolipoamide. The molecule is commonly conjugated to lysine residues. The structure shown is the free form of the molecule.
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Lansiumamide A
Lansiumamide A is found in fruits. Lansiumamide A is isolated from seeds of Clausena lansium (wampee). Isolated from seeds of Clausena lansium (wampee). Lansiumamide A is found in fruits.
Lysylcysteine
Lysylcysteine is a dipeptide composed of lysine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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.
Cysteinyl-Glutamine
C8H15N3O4S (249.07832299999998)
Cysteinyl-Glutamine is a dipeptide composed of cysteine and glutamine. 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.
Cysteinyl-Lysine
Cysteinyl-Lysine is a dipeptide composed of cysteine and lysine. 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.
Glutaminylcysteine
C8H15N3O4S (249.07832299999998)
Glutaminylcysteine is a dipeptide composed of glutamine 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.
S-Acetyldihydrolipoamide-E
The acetyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue acetyltransferase (EC2.3.1.12). S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 1.2.4.1. S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 2.3.1.12. (PubChem sid=47205563) [HMDB] The acetyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue acetyltransferase (EC2.3.1.12). S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 1.2.4.1. S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 2.3.1.12. (PubChem sid=47205563).
Epinastine
Epinastine is used for the prevention of itching associated with allergic conjunctivitis. It has a multi-action effect that inhibits the allergic response in 3 ways: 1. stabilizes mast cells by preventing mast cell degranulation to control the allergic response, 2. prevents histamine binding to both the H1- and H2-receptors to stop itching and provide lasting protection, and 3. prevents the release of proinflammatory chemical mediators from the blood vessel to halt progression of the allergic response. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use 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 Epinastine (WAL801) is an antihistamine and mast cell stabilizer. Epinastine is a potent, selective and orally-active histamine H1 receptor antagonist. Epinastine also inhibits IL-8 release and has an antiallergic action[1][2][3][4].
Cysteinyl-Gamma-glutamate
C8H15N3O4S (249.07832299999998)
Cysteinyl-Gamma-glutamate is a dipeptide composed of cysteine and gamma-glutamate. 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.
Melatonin radical
This compound belongs to the family of Indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
2-Pentanamido-3-phenylpropanoic acid
2-pentanamido-3-phenylpropanoic acid is classified as a phenylalanine or a Phenylalanine derivative. Phenylalanines are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-pentanamido-3-phenylpropanoic acid is considered to be a practically insoluble (in water) and a weak acidic compound. 2-pentanamido-3-phenylpropanoic acid can be found in feces.
(1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
(4Ar,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol
1-(2-Pyridylazo)-2-naphthol
C15H11N3O (249.09020759999999)
2',3'-Didehydro-2',3'-dideoxyguanosine
Benzo(f)quinolin-3(2H)-one, 8-chloro-1,4,4a,5,6,10b-hexahydro-4-methyl-, trans-
C14H16ClNO (249.09203559999997)
Acetophenone, 4'-hydroxy-3'-methoxy-2-(2-piperidyl)-
Ala-Cys-Gly
C8H15N3O4S (249.07832299999998)
(S)-(4-Hydroxy-phenyl)-(S)-piperidin-2-yl-acetic acid methyl ester; hydrochloride
Cinchophen
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid
C14H16FNO2 (249.11650079999998)
hexahomomethionine S-oxide
A sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of hexahomomethionine.
Me glycoside,N-Ac-alpha-D-Pyranose-4-Amino-4-deoxyglucuronic acid
(+/-)-2-hydroxy-1-methyl-trans-zeatin|2-hydroxy-1-methylzeatin|2-hydroy-1-methylzeatin
C11H15N5O2 (249.12256900000003)
N-[2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
(1R)-5c-methoxy-(1rN,5rC2,8at)-6,7,8,8a-tetrahydro-1H-spiro[cyclohex-3-ene-1,5-pyrano[4,3-c]pyridin]-3-one
N-hydroxyhexahomomethionine
An N-hydroxy-alpha-amino acid having a 9-thiadecyl substituent at the 2-position.
2-amino-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
C14H19NOS (249.11872839999998)
(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
C14H19NOS (249.11872839999998)
Triallyl cyanurate
CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9255; ORIGINAL_PRECURSOR_SCAN_NO 9253 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9282; ORIGINAL_PRECURSOR_SCAN_NO 9280 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9291 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9316 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9326; ORIGINAL_PRECURSOR_SCAN_NO 9324
Cinchophen
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4523; ORIGINAL_PRECURSOR_SCAN_NO 4519 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4546; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4500; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4520; ORIGINAL_PRECURSOR_SCAN_NO 4516 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4555; ORIGINAL_PRECURSOR_SCAN_NO 4552 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4546; ORIGINAL_PRECURSOR_SCAN_NO 4545 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8905; ORIGINAL_PRECURSOR_SCAN_NO 8900 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8921; ORIGINAL_PRECURSOR_SCAN_NO 8919 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8942; ORIGINAL_PRECURSOR_SCAN_NO 8939 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8876 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8996; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8968; ORIGINAL_PRECURSOR_SCAN_NO 8966
S-Acetyldihydrolipoamide-E
Epinastine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use 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 Epinastine (WAL801) is an antihistamine and mast cell stabilizer. Epinastine is a potent, selective and orally-active histamine H1 receptor antagonist. Epinastine also inhibits IL-8 release and has an antiallergic action[1][2][3][4].
Cys-gglu
C8H15N3O4S (249.07832299999998)
GGlu-Cys
C8H15N3O4S (249.07832299999998)
(3-Amino-benzo[d]isoxazol-4-yl)-carbamic acid tert-butyl ester
2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine
C11H14F3NO2 (249.09765800000002)
(S)-2-(Benzyloxycarbonylamino)-3-butenoic acid methyl ester
Butanoic acid, 3-oxo-,2-[methyl(phenylmethyl)amino]ethyl ester
(2S)-2-[(1,1-dioxothiolan-3-yl)amino]-4-methylpentanoic acid
C10H19NO4S (249.10347339999998)
5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-amine
C13H16ClN3 (249.10326859999998)
1-(4-METHOXY-PHENYLAMINO)-CYCLOHEXANECARBOXYLIC ACID
tert-Butyl (5-aminobenzo[d]isoxazol-3-yl)carbamate
l-10-camphorsulfonic acid ammonium salt
C10H19NO4S (249.10347339999998)
(R)-4-benzyl-5-oxomorpholine-3-carboxylic acid methyl ester
4-[4-(TERT-BUTYL)PHENYL]-5-MERCAPTO-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
C12H15N3OS (249.09357799999998)
1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]ethanone
4-Hydroxy-4-methylpiperidine-1-carboxylic acid benzyl ester
1-CHLORO-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-PROPAN-2-ONE
C14H16ClNO (249.09203559999997)
3-METHOXY-4-PYRROLIDIN-1-YL-BENZALDEHYDE
C12H15N3OS (249.09357799999998)
5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-amine
C13H16ClN3 (249.10326859999998)
2,6-DIFLUORO-4-(TRANS-4-ETHYLCYCLOHEXYL)-BENZONITRILE
Benzoic acid,4-[(1,3-dioxobutyl)amino]-, ethyl ester
(S)-(-)-1-(2-METHOXYBENZOYL)-2-(METHOXYMETHYL)PYRROLIDINE
Ethyl 3,7-dimethyl-4H-benzo[1,4]thiazine-2-carboxylate
2-(PIPERAZIN-1-YL)QUINOLINE HYDROCHLORIDE
C13H16ClN3 (249.10326859999998)
Bay H 2049
C15H11N3O (249.09020759999999)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor
Phenol,2-[[(phenylmethyl)amino]methyl]-, hydrochloride (1:1)
C14H16ClNO (249.09203559999997)
3-HYDROXY-3-PHENYLAZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(2S,3R)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol
C12H15N3OS (249.09357799999998)
[1-(1,3-Benzodioxol-5-ylmethyl)-4-piperidinyl]methanol
1-PHENYL-3-PYRIDIN-3-YL-1H-PYRAZOLE-4-CARBALDEHYDE
C15H11N3O (249.09020759999999)
1-(PIPERAZIN-1-YL)ISOQUINOLINE HYDROCHLORIDE
C13H16ClN3 (249.10326859999998)
1H-INDAZOLE, 6-CHLORO-3-(1-METHYL-4-PIPERIDINYL)-
C13H16ClN3 (249.10326859999998)
6-amino-6-methylcyclohexa-1,3-dien-1-ol,formaldehyde,phenol
(4-methoxyphenyl)(phenyl)methanamine hydrochloride
C14H16ClNO (249.09203559999997)
2-(3-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
(6-(4-ACETYLPIPERAZIN-1-YL)PYRIDIN-3-YL)BORONIC ACID
ETHYL5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
N-(3-Trimethoxysilylpropyl)Morpholine
C10H23NO4Si (249.13962779999997)
2-Oxazolidinone, 5-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-, (5R)-
N-(tert-Butoxycarbonyl)-L-methionine-1-13C
C10H19NO4S (249.10347339999998)
ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
(S)-2-METHYLPIPERIDINE (2R,3R)-2,3-DIHYDROXYSUCCINATE
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester
(2-oxo-2-p-tolyl-ethyl)-carbamic acid tert-butyl ester
(4-(((TETRAHYDROFURAN-2-YL)METHYL)CARBAMOYL)PHENYL)BORONIC ACID
4-(Benzyloxy)-3-methylaniline hydrochloride
C14H16ClNO (249.09203559999997)
1-(tetrahydro-2H-pyran-4-yl)-4-piperidinecarboxylic acid(SALTDATA: HCl)
1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxylic acid(SALTDATA: HCl)
9,10-DIHYDRO-4H-BENZO(4,5)CYCLOHEPTA(1,2-B)THIOPHEN-4-ONE
PIPERIDINE-3-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (2-NITRO-PHENYL)-AMIDE
3-Piperidinecarboxylic acid, 4-hydroxy-1-(phenylmethyl)-, methyl ester
Benzeneacetonitrile,3,4,5-trimethoxy-a-(1-methylethyl)-
4-(4-AMINOBUTYL)AMINO-7-CHLOROQUINOLINE
C13H16ClN3 (249.10326859999998)
1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
C15H11N3O (249.09020759999999)
(S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
2-Isopropoxy-5-(trifluoromethyl)pyridine-3-boronic acid
C9H11BF3NO3 (249.07840420000002)
tert-butyl 4-(furan-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
[4-(4-methylphenoxy)phenyl]methanamine,hydrochloride
C14H16ClNO (249.09203559999997)
ETHYL5-AMINO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
3-DIMETHOXYMETHYL-5-TRIMETHYLSILANYLETHYNYL-PYRIDINE
C13H19NO2Si (249.11849940000002)
tert-Butyl 1-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-3(2H)-carboxylate
4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
6-(1-Piperazinyl)isoquinoline hydrochloride (1:1)
C13H16ClN3 (249.10326859999998)
1H-INDAZOLE, 5-CHLORO-1-METHYL-3-(4-PIPERIDINYL)-
C13H16ClN3 (249.10326859999998)
PIPERIDINE-3-CARBOXYLIC ACID (2-NITRO-PHENYL)-AMIDE
ETHYL5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID SEC-BUTYLAMIDE
C12H15N3OS (249.09357799999998)
3-(3,3-dimethylbutanoylamino)-4-methylbenzoic acid
4-ethyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
C12H15N3OS (249.09357799999998)
5-(1-piperazinyl)-isoquinoline HCl
C13H16ClN3 (249.10326859999998)
4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
C12H15N3OS (249.09357799999998)
1-(2-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid
4-ethyl-3-(1-phenoxyethyl)-1H-1,2,4-triazole-5-thione
C12H15N3OS (249.09357799999998)
(R)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
(2S,4R)-METHYL 1-BENZOYL-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-(1-methylethyl)- (9CI)
2-(4-Phenoxyphenyl)ethanamine hydrochloride (1:1)
C14H16ClNO (249.09203559999997)
tert-butyl N-[(4-formylphenyl)methyl]-N-methylcarbamate
Benzoxiquine
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
2-METHYL-OXAZOLE-4-CARBOXYLICACIDMETHYLESTER
C14H16ClNO (249.09203559999997)
4-(2-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINEHYDROCHLORIDE
C14H16ClNO (249.09203559999997)
4-(2-AMINOETHYL)BENZOICACIDHYDROCHLORIDE
C14H16ClNO (249.09203559999997)
2-Chloro-N4-(2-methypropyl)-3,4-quinolinediamine
C13H16ClN3 (249.10326859999998)
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
1-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one
C13H16FN3O (249.12773379999996)
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
tert-Butyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamat
4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
2-[bis(2-hydroxyethyl)amino]ethanol,oxolane-2,5-dione
8-(1-Piperazinyl)isoquinoline hydrochloride (1:1)
C13H16ClN3 (249.10326859999998)
tert-butyl 7-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
TERT-BUTYL 2-(HYDROXYMETHYL)-1-INDOLINECARBOXYLATE
3-(4-METHYLPHENOXY)BENZYLAMINE HYDROCHLORIDE
C14H16ClNO (249.09203559999997)
1-PHENYL-3-PYRIDIN-4-YL-1H-PYRAZOLE-4-CARBALDEHYDE
C15H11N3O (249.09020759999999)
4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
1,2,4-Triazin-3(2H)-one,5,6-diphenyl-
C15H11N3O (249.09020759999999)
4-(2-cyclopropyl-4-ethylpyrimidin-5-yl)benzonitrile
7-(BENZYLOXY)-1H-INDAZOLE-3-CARBONITRILE
C15H11N3O (249.09020759999999)
TERT-BUTYL (3-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)CARBAMATE
(S)-4,9-DIHYDRO-1-METHYL-3H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLICACID
N-tert-Butoxycarbonyl-3-mercapto-L-valine
C10H19NO4S (249.10347339999998)
1-(3-HYDROXYPHENYL)-1-METHOXY-1-(2-THIAZOLYL)-PROPANE
1-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazine
1-(6-(quinoxalin-2-yl)pyridin-2-yl)ethanone
C15H11N3O (249.09020759999999)
1-PYRIDIN-2-YL-[1,4]DIAZEPANE DIHYDROCHLORIDE
C10H17Cl2N3 (249.07994620000002)
ethyl 4-acetyl-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
6-(benzo[d][1,3]dioxol-5-ylmethyl)-2-thia-6-azaspiro[3.3]heptane
(R)-Benzyloxycarbonylamino-cyclopropyl-acetic acid
(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-((S)-3-hydroxy-pyrrolidin-1-yl)-Methanone
(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-((R)-3-hydroxy-pyrrolidin-1-yl)-Methanone
[(1R,2R)-2-hydroxycyclohexyl]CarbaMic acidphenylMethyl ester
2-Propenoic acid, 4-cyano[1,1-biphenyl]-4-yl ester
TERT-BUTYL 5-HYDROXY-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE
TERT-BUTYL 7-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
2-Methyl-2-Propanyl 5-Hydroxy-3,4-Dihydro-2(1H)-Isoquinolinecarboxylate
METHYL 7-ALLYL-6-HYDROXY-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYATE
1-[(4-METHYLPHENYL)METHYL]-1H-INDOLE-3-CARBALDEHYDE
5-(1-METHYL-PYRROLIDIN-2-YL)-PYRIDIN-2-YLAMINEDIHYDROCHLORIDE
C10H17Cl2N3 (249.07994620000002)
1-(4-METHOXY-BENZYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
2-Propoxy-5-(trifluoromethyl)pyridine-3-boronic acid
C9H11BF3NO3 (249.07840420000002)
1-(3-PHENYL-2-PROPENOYL)-1H-BENZOTRIAZO&
C15H11N3O (249.09020759999999)
3-(2-NITROPHENYL)-2-PROPENOIC ACID1,1-DIMETHYLETHYL ESTER
(4aR,7aR)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine
6-Hydroxy-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(FLUORO)PHENYL]-3-PYRIDINECARBOXYLIC ACID
3-(4-Diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid
bexlosteride
C14H16ClNO (249.09203559999997)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent
5-Benzofuranol, 2,3-dihydro-3,3-dimethyl-2-(4-morpholinyl)-
7-Amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanamine
C12H15N3OS (249.09357799999998)
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
C12H15N3OS (249.09357799999998)
(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide
C14H19NOS (249.11872839999998)
(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)benzyl)guanidine
2-Amino-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
(2S)-2-azaniumyl-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}propanoate
(2R)-2-(Acetylamino)-3-(1,1-dimethyl-3-hydroxypropylthio)propionic acid
C10H19NO4S (249.10347339999998)
5-(4-Chlorophenyl)-6-ethylpyrimidin-3-ium-2,4-diamine
(2S)-2-(hydroxyamino)-10-(methylsulfanyl)decanoic acid
(2S,3S,4S,5R)-5-(hydroxymethyl)-2-(morpholin-4-ylmethyl)oxolane-2,3,4-triol
(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
2-amino-9-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents
N-[2-(4-hydroxyphenyl)-2-oxoethyl]hexanamide
A natural product found in Cystobacter ferrugineus.
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
A natural product found in Cystobacter ferrugineus.
8,5-Cyclo-2-deoxyadenosine
An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5 of 2-deoxyadenosine.
1-Azepanyl-(4-methoxyphenyl)methanethione
C14H19NOS (249.11872839999998)
2-(4,5-dihydro-1H-imidazol-2-ylthio)-N-(4-methylphenyl)acetamide
C12H15N3OS (249.09357799999998)
Propionylamino-acetic acid 2-oxo-2-phenyl-ethyl ester
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,2-dimethylpropanamide
5-(3-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
C12H15N3OS (249.09357799999998)
2-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylacetonitrile
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
C13H19N3S (249.12996139999998)
(3Z)-9-methyldec-3-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(3S,4E)-3-methyldec-4-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii.
(R)-S(6)-acetyldihydrolipoamide
The (R)-enantiomer of S(6)-acetyldihydrolipoamide.
[2-Chloroethyl-[(4-methylcyclohexyl)carbamoyl]amino]-oxidoazanium
C10H20ClN3O2 (249.12439700000002)
5-acetamido-3,5-dideoxy-L-arabino-hept-2-ulopyranosonic acid
6-[(Z)-hydroxyiminomethyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
1-Benzyl-2,2,5,5-tetramethyl-2,5-disilapyrrolidine
1H-Indole-2,3-dione, 5-methoxy-1-(trimethylsilyl)-
C12H15NO3Si (249.08211599999998)
ethyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide having ethyl as the anomeric substituent.
ML351
C15H11N3O (249.09020759999999)
ML351 is a potent and highly specific 15-LOX-1 inhibitor with an IC50 of 200 nM. ML351 shows excellent selectivity (>250-fold) versus the related isozymes, 5-LOX, platelet 12-LOX, 15-LOX-2, ovine COX-1, and human COX-2[1].?ML351 prevents dysglycemia and reduces β-cell oxidative stress in nonobese diabetic mouse model of T1D[2].
SY-LB-35
C15H11N3O (249.09020759999999)
SY-LB-35 is a potent bone morphogenetic protein (BMP) receptor agonist. SY-LB-35 can stimulate significant increases in cell number and cell viability in the C2C12 myoblast cell line, and causes shifts towards the S and G2/M phases of the cell cycle. SY-LB-35 stimulates canonical Smad and non-canonical PI3K/Akt, ERK, p38 and JNK intracellular signaling pathways[1].
n-methyl-n-[(2z)-3-(methylsulfanyl)prop-2-enoyl]-2-phenylacetamide
n-{2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodec-9-en-6-yl}guanidine
C11H15N5O2 (249.12256900000003)
(1s,2s,8s,9s)-9-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadec-11-en-13-one
n-[2-(4-hydroxyphenyl)-2-oxoethyl]hexanimidic acid
(z,2e)-3-phenyl-n-[(1z)-2-phenylethenyl]prop-2-enimidic acid
(1r,5r,8'as)-5-methoxy-6',7',8',8'a-tetrahydro-1'h-spiro[cyclohexane-1,5'-pyrano[4,3-c]pyridin]-3-en-3'-one
(2s,3r,4s)-7-methylidene-2-[(1e,3e)-penta-1,3-dien-1-yl]-2h,3h,4h-pyrano[2,3-c]pyrrole-3,4,5-triol
n-[(2s)-1-methoxy-4-methyl-1-oxopentan-2-yl]benzenecarboximidic acid
(9s)-8-ethyl-4-methoxy-9-methyl-2h,6h,7h,9h-[1,3]dioxolo[4,5-h]isoquinoline
4,5-dehydroanhydrolycorine
{"Ingredient_id": "HBIN009997","Ingredient_name": "4,5-dehydroanhydrolycorine","Alias": "NA","Ingredient_formula": "C16H11NO2","Ingredient_Smile": "NA","Ingredient_weight": "249.26","OB_score": "NA","CAS_id": "212-38-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7921","PubChem_id": "NA","DrugBank_id": "NA"}
(2z)-n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
3-hydroxy-2-methyl-2-[(1,3,4-trihydroxy-2-methylpentylidene)amino]propanoic acid
1-(4-hydroxy-3-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)ethanone
3,5-dihydroxy-7-methyl-2-[(1e)-pent-1-en-1-yl]-7h-pyrano[2,3-c]pyrrol-4-one
(2e,4e)-n-(2-methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienimidic acid
C14H19NOS (249.11872839999998)
1-(4-hydroxy-3-methoxyphenyl)-2-[(2r)-piperidin-2-yl]ethanone
1,9,10-trihydroxy-3-methylidene-6-(prop-1-en-1-yl)-2-azaspiro[4.5]deca-1,7-dien-4-one
2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}amino)benzenecarboximidic acid
2-amino-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid
6-{[(2r,3e)-5-hydroxy-4-methylpent-3-en-2-yl]imino}-1,9-dihydropurin-2-ol
C11H15N5O2 (249.12256900000003)
(3s,5s)-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrolidine-2,4-dione
(2s,4r)-4-ethyl-4-hydroxy-5-[(2z)-3-oxopyridin-2-ylidene]pyrrolidine-2-carboximidic acid
3-hydroxy-6-methoxy-1-methyl-3-(2-oxopropyl)indol-2-one
3-hydroxy-2-methyl-2-[(1,2,4-trihydroxy-3-methylpentylidene)amino]propanoic acid
(4s)-7-acetyl-4-isopropyl-1h,4h-pyrido[2,1-c][1,4]oxazine-3,8-dione
2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene]amino}benzenecarboximidic acid
(3r)-3-hydroxy-6-methoxy-1-methyl-3-(2-oxopropyl)indol-2-one
5-methoxy-6',7',8',8'a-tetrahydro-1'h-spiro[cyclohexane-1,5'-pyrano[4,3-c]pyridin]-3-en-3'-one
(1s,2r,8s,9s)-9-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadec-11-en-13-one
5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(19),2,4(8),9,13,15,17-heptaene
n-[(3r,6r)-2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodec-9-en-6-yl]guanidine
C11H15N5O2 (249.12256900000003)
3,5-dihydroxy-7-methyl-2-(pent-1-en-1-yl)-7h-pyrano[2,3-c]pyrrol-4-one
1-(4-hydroxy-3-methoxyphenyl)-2-[(2s)-piperidin-2-yl]ethanone
1-(1h-pyrrol-2-yl)-9h-pyrido[3,4-b]indol-6-ol
C15H11N3O (249.09020759999999)
(2s,4r)-4-ethyl-4-hydroxy-5-(3-hydroxypyridin-2-yl)-2,3-dihydropyrrole-2-carboximidic acid
n-(1-methoxy-4-methyl-1-oxopentan-2-yl)benzenecarboximidic acid
n-(2-methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienimidic acid
C14H19NOS (249.11872839999998)
(2s)-3-hydroxy-2-methyl-2-{[(2r,3r,4r)-1,2,4-trihydroxy-3-methylpentylidene]amino}propanoic acid
1-(4-hydroxy-3-methoxyphenyl)-2-[(2s)-1-methylpyrrolidin-2-yl]ethanone
n-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanimidic acid
10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-12-one
7-methylidene-2-(penta-1,3-dien-1-yl)-2h,3h,4h-pyrano[2,3-c]pyrrole-3,4,5-triol
(5s,6r,9r,10s)-1,9,10-trihydroxy-3-methylidene-6-[(1e)-prop-1-en-1-yl]-2-azaspiro[4.5]deca-1,7-dien-4-one
n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
(2e)-n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
6-[(5-hydroxy-4-methylpent-3-en-2-yl)imino]-1,9-dihydropurin-2-ol
C11H15N5O2 (249.12256900000003)