Exact Mass: 280.1068
Exact Mass Matches: 280.1068
Found 500 metabolites which its exact mass value is equals to given mass value 280.1068,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methyl nigakinone
Methyl nigakinone is a member of beta-carbolines. 4,5-Dimethoxycanthin-6-one is a natural product found in Alangium chinense, Picrasma quassioides, and Eurycoma longifolia with data available. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2]. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
Aspartylphenylalanine
Aspartylphenylalanine is a dipeptide composed of aspartate and phenylalanine, and is a metabolic byproduct of its methyl ester, aspartame (Nutrasweet). After hydrolysis of the ester bond in the intestinal lumen, the dipeptide is apparently absorbed and digested in the same manner as dipeptides derived from protein digestion. There are several Asp-Phe dipeptidases that degrade this peptide. It has been suggested that individuals with aspartame allergies may be deficient in this peptidase (PMID: 3743970). It has been observed that N-beta-aspartylphenylalanine (a breakdown product of Asp-Phe) is a naturally occurring peptide found in both blood and urine (PMID: 2723819).
Degradation product of Aspartame
Ipriflavone
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization Feed additive, catabolic agent. Feed additive, catabolic agent
Gravolenic acid
Gravolenic acid is found in herbs and spices. Gravolenic acid is isolated from above-ground parts of Ruta graveolens (rue). Isolated from above-ground parts of Ruta graveolens (rue). Gravolenic acid is found in herbs and spices.
Asparenyol
Asparenyol is found in green vegetables. Asparenyol is a constituent of cultured cells of asparagus (Asparagus officinalis). Constituent of cultured cells of asparagus (Asparagus officinalis). Asparenyol is found in green vegetables.
Phenylalanylaspartic acid
Phenylalanylaspartic acid is a dipeptide composed of phenylalanine and aspartic acid. 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.
Methionyl-Methionine
Methionyl-Methionine is a dipeptied compoosed of two methionine residues. 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.
L-beta-aspartyl-L-phenylalanine
L-beta-aspartyl-l-phenylalanine is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Levosimendan
Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It increases the sensitivity of the heart to calcium, thus increasing cardiac contractility without a rise in intracellular calcium. Levosimendan exerts its effect by increasing calcium sensitivity of myocytes by binding to cardiac troponin C in a calcium-dependent manner. It also has a vasodilatory effect, by opening adenosine triphosphate (ATP)-sensitive potassium channels in vascular smooth muscle to cause smooth muscle relaxation. D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Phenprocoumon
Phenprocoumon is only found in individuals that have used or taken this drug. It is a coumarin derivative that acts as a long acting oral anticoagulant. [PubChem]Phenprocoumon inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots.
N-Despyridinyl rosiglitazone
N-Despyridinyl rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
4-(2-Aminopyrimidin-4-yl)-6-(2-aminopyrimidin-4(3H)-ylidene)cyclohexa-2,4-dien-1-one
Flumecinol
C26170 - Protective Agent > C2081 - Hepatoprotective Agent
Simendan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
12-Bromo-4(13),6,9-lauratriene
4,5-Dimethoxycanthin-6-one
4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2]. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
Ethyl phthalyl ethyl glycolate
CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8547; ORIGINAL_PRECURSOR_SCAN_NO 8543 ORIGINAL_ACQUISITION_NO 8582; CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8582; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8594; ORIGINAL_PRECURSOR_SCAN_NO 8590 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8629; ORIGINAL_PRECURSOR_SCAN_NO 8624 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8644; ORIGINAL_PRECURSOR_SCAN_NO 8639
Methylenedihydrotanshinquinone
6-acetoxy-8,9-dehydro-6-carbomethoxy-10-hydroxy-thymol
(3R*,4R*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-3-(2-oxopropyl)naphthalen-1(2H)-one|balticol D
2-Hydroxy-8-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene|8-carboxy-2-hydroxy-1-methyl-5-vinyl-9,10-dihydrophenanthrene|9,10-Dihydro-7-hydroxy-8-methyl-4-vinyl-1-phenanthrenecarboxylic acid
2-(2-methoxy-4-hydroxyphenyl)-5-(E)-propenylbenzofuran|Ratanhiaphenol III
(E)-2,3-dihydroxycyclopentyl-3-(3,4-dihydroxyphenyl)acrylate|1-(3,4-dihydroxycinnamoyl)cyclopentane-2,3-diol
3-(methoxycarbonyl)propyl beta-D-glucopyranoside|3-(Methoxycarbonyl)propyl-??-D-glucopyranoside
4-(9h-beta-carbolin-1-yl)-4-oxobut-2-enoic acid methyl ester
(4bR,10bR)-4b-hydroxy-10b,12-dihydrodibenzo[c,h][2,6]naphthyridine-5,11(4bH,6H)-dione
(6S,8S)-5,6,7,8-tetrahydro-1,3,6-trihydroxy-6-acetyl-8-methylnaphthalene-4-carboxylic acid|ficuselastic acid
(Z)-4,4-dihydroxy-3-methoxy-1,5-diphenylpent-3-en-1-yne|lawsochylin C
2-(1,3-benzodioxol-5-yl)ethyl 5-hydroxy-4-oxo-pentanoate
6-(1-bromo-2-methyl-propyl)-1,4-dimethyl-5,6-dihydro-4H-indene
(E)-2-(4-hydroxyphenyl)-7-methoxy-5-(1-propenyl)benzofuran|2-(4-hydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran|7-Metoxy-2-(4-Hydroxyphenyl)-5-(1-propenyl)-benzofuran
2-(2-hydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuran|Ratanhiaphenol I|rataniaphenol III|ratanthiaphenol
(4-hydroxyphenyl)-[5-(4-hydroxyphenyl)-1H-imidazol-2-yl]methanone
1-Methyl-3-phenethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
2-(4-hydroxyphenyl)-5-(2-oxopropyl)-3-methylbenzofuran
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)hexan-1-imine
Zhebeiresinol
Zhepeiresinol is a natural product found in Magnolia kachirachirai, Ilex pubescens, and Callicarpa pilosissima with data available.
ipriflavone
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization relative retention time with respect to 9-anthracene Carboxylic Acid is 1.328 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.329
Levosimendan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
C17H16N2O2_1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-4-methyl-3-(phenylmethyl)
Asp-phe
A dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen.
2,7-Acetylaminofluorene
CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3700; ORIGINAL_PRECURSOR_SCAN_NO 3699 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3693; ORIGINAL_PRECURSOR_SCAN_NO 3691 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3704; ORIGINAL_PRECURSOR_SCAN_NO 3702 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3695; ORIGINAL_PRECURSOR_SCAN_NO 3693 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3770; ORIGINAL_PRECURSOR_SCAN_NO 3769 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3701; ORIGINAL_PRECURSOR_SCAN_NO 3699 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7611; ORIGINAL_PRECURSOR_SCAN_NO 7609 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7638; ORIGINAL_PRECURSOR_SCAN_NO 7636 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7662; ORIGINAL_PRECURSOR_SCAN_NO 7660 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7671; ORIGINAL_PRECURSOR_SCAN_NO 7669 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7650; ORIGINAL_PRECURSOR_SCAN_NO 7649 CONFIDENCE standard compound; INTERNAL_ID 425; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7674; ORIGINAL_PRECURSOR_SCAN_NO 7672
Phenprocoumon
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group. D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
6-hydroxy-7E,9E-Octadecadiene-11,13,15,17-tetraynoic acid
6-hydroxy-7E,9Z-Octadecadiene-11,13,15,17-tetraynoic acid
6-hydroxy-7Z,9E-Octadecadiene-11,13,15,17-tetraynoic acid
Levosimedan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Met-met
A dipeptide formed from two L-methionine residues.
Phe-asp
A dipeptide formed from L-phenylalanine and L-aspartic acid residues.
Gravolenic acid
3-(2-AMINOETHYLSULFANYL)-1-(4-METHOXY-PHENYL)PYRROLIDINE-2,5-DIONE
3-BENZYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID ETHYL ESTER
(2S,4S)-4-Boc-Amino pyrrolidine-2-carboxylic acid methylester hydrochloride
2-AMINO-4-METHOXY-7-(BETA-D-2-DEOXYRIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE
(R)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
tert-Butyl 6-(aminomethyl)thieno[2,3-d]pyrimidin-4-ylcarbamate
3-AMINO-2,7-DIMETHYL-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
6-BROMO-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
Azabon
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
5-METHYL-2-NAPHTHALEN-1-YL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-NITROPYRIDINE
2-Methoxy-5-nitropyridine-3-boronic acid pinacol ester
3-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHANOL
Ethyl 3-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl) propanoate
4-(2-METHYL-4-OXO-4 H-QUINAZOLIN-3-YL)-BENZOIC ACID
bis(trimethylsilyl)hypoxathine
9-(Trimethylsilyl)-6-[(trimethylsilyl)oxy]-9H-purine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=17962-89-9 (retrieved 2024-09-24) (CAS RN: 17962-89-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
2-Fluoro-5-(Methoxycarbonyl)benzeneboronic acid pinacol ester
1-Phenyl-3-[(phenylmethyl)amino]-2,5-pyrrolidinedione
3-(3,5-Dimethyl-1H-pyrazol-4-ylmethyl)-4-methoxy-benzaldehyde hydrochloride
METHYL (2R,4S)-4-BOC-AMINOPYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDE
1-(4-aminobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid
(S)-1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
N-[(2,4-DIPHENYL-1,3-THIAZOL-5-YL)METHYL]-N-METHYLAMINE
N-Boc-cis-4-Amino-L-proline methyl ester hydrochloride
METHYL 3-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
2-(3-Methoxy-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Benzoic acid, 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
N-Boc-trans-4-amino-L-proline methyl ester hydrochloride
3-Fluoro-4-(Methoxycarbonyl)benzeneboronic acid pinacol ester
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)acetic acid hydrochloride
(2S)-2,6-diaminohexanoic acid,(2S)-2-hydroxybutanedioic acid
(E)-3-Cyclopentyl-2-(4-(methylsulfonyl)phenyl)prop-2-en-1-ol
trimethyl-[2-(4-phenylmethoxyphenyl)ethynyl]silane
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
Ethyl 1-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
4,4,5,5-TETRAMETHYL-2-(4-METHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
1H-PYRROLO[2,3-B]PYRIDINE, 1-(METHYLSULFONYL)-4-(1-PIPERAZINYL)-
4-OXO-3-PHENYL-3,4-DIHYDROPHTHALAZINE-1-CARBOHYDRAZIDE
1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1), (3S)-
(2r,3r)-2,3-o-(1-phenylethylidene)-l-tartaric acid dimethyl ester
Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one
6-(BROMOMETHYL)-1,1,4,4-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
6(5H)-Pteridinone, 2-chloro-8-cyclopentyl-7-ethyl-7,8-dihydro
N-(6-Ethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-3-oxobutanamide
(4,5-DIMETHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-PHENYL-AMINE
(3-(Morpholine-4-carbonyl)-5-nitrophenyl)boronic acid
(2R,4R)-Methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylate hydrochloride
4-Fluoro-3-methoxycarbonylphenylboronic acid pinacol ester
4,4,5,5-TETRAMETHYL-2-(3-METHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
6-Methyl-2-(4-methylphenyl)imidazo[1,2-a]-pyridine-3-acetic acid
Ethyl 8-chloro-3,4,4a,5-tetrahydro-1H-pyrido[4,3-b]indole-2(9bH)-carboxylate
(2S,4R)-4-BOC-AMINO PYRROLIDINE-2-CARBOXYLIC ACID METHYLESTER-HCL
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid
Opaviraline
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Imiloxan hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Parachlorophenol, Camphorated
D000890 - Anti-Infective Agents D004202 - Disinfectants
5-[4-(2-Methylaminoethoxy)-benzyl]-thiazolidine-2,4-dione
Rataniaphenol I
A member of the class of benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
N-[2-(6-Chloro-5-methoxy-2-methyl-1H-indol-3-YL)ethyl]acetamide
2-oxo-N-(2-pyridinylmethyl)-1-benzopyran-3-carboxamide
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
4H-1-Benzopyran-4-one, 2-(2-methoxyphenyl)-6,8-dimethyl-
1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide
(1S)-1,2,3,4-Tetrahydro-benzo[C]phenanthrene-2,3,4-triol
2-[(2-Amino-3-phenylpropanoyl)amino]butanedioic acid
(2R)-2-amino-3-[(E)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanylpropanoic acid
(2S,3R,4S)-2-amino-3,5-dihydroxy-4-(hydroxymethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
(2S,3R,4R)-2-amino-3,5-dihydroxy-4-(hydroxymethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
Rataniaphenol III
A member of the class of benzofurans that is 1-benzofuran substituted by a 2-methoxy-4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
4-(2-hydroxyphenyl)-8,9-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
3-Benzyl-5-tert-butyl-1,3,5-thiadiazinane-2-thione
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}benzoic acid
(1S,3S,11R,11aR)-3-amino-1,7,8,11-tetrahydroxy-1,2,3,6,11,11a-hexahydro-4H-pyrido[1,2-b]isoquinolin-4-one
3-(4-Methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
4-[(3,5-Dimethylphenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one
2-{2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]vinyl}phenol
2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide
N-[2-[2,3-dihydroindol-1-yl(oxo)methyl]phenyl]acetamide
2-(3-imino-1H-isoindol-2-yl)-1-(4-methoxyphenyl)ethanone
(3Z)-3-{[(6-methylpyridin-2-yl)amino]methylidene}-2H-chromene-2,4(3H)-dione
3-[(2-pyridinylmethylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
3-(4,7-Dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
3-(2,7-Dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
(5Z)-5-(dimethylaminomethylidene)-3-(4-methylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl octanoate
(3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran
2-(2-(4-methoxyphenyl)ethyl)chromone
A member of the class of chromones that is chromone which is substituted by a 2-(4-methoxyphenyl)ethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood from trees of the genus Aquilaria.
fumisoquin A
A pyridoisoquinoline that is (11aR)-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline substituted by hydoxy groups at positions 1S,7,8 and 11R, by an amino group at position 3S and an oxo group at position 4. It is produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.
MK-0608
MK-0608 is a potent and orally bioavailable inhibitor of HCV replication in vitro with an EC50 of 0.3 μM (EC90=1.3 μM) in the subgenomic-replicon assay[1].
N-Salicyloyltryptamine
N-Salicyloyltryptamine acts on voltage-dependent Na+, Ca2+, and K+ ion channels inhibitor. N-Salicyloyltryptamine inhibits K+ currents with an IC50 value of 34.6 μM (Ito). N-Salicyloyltryptamine also exhibits anticonvulsant, anti-inflammatory, analgesic, and vasorelaxation effect[1]-[5].
(3s)-4-[(1r,2r)-1,5-dihydroxy-4-oxo-2,3-dihydro-1h-naphthalen-2-yl]-3-hydroxybutanoic acid
(3as,4s,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
5-methoxy-2-[5-(prop-1-en-1-yl)-1-benzofuran-2-yl]phenol
methyl 3-(7-hydroxy-8-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate
(2r,3r,4s,5r,6r)-2-[(3s)-3,4-dihydroxy-2-methylidenebutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(4s,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
1-[(1s,3r)-3-bromo-1,2,2-trimethylcyclopentyl]-4-methylbenzene
4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-1-carboxylic acid
(1r,2s,5r)-5-[(8r)-8-hydroxy-4h,7h,8h-imidazo[4,5-d][1,3]diazepin-3-yl]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
3,11-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
(2s)-2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-3-methylbutanoic acid
6-chloro-5-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2,2,7-trimethyl-3h-inden-1-one
3-(2,3-dihydroxypropyl)-6,8-dimethoxychromen-2-one
[(3r,4r)-4,8-dihydroxy-3,4-dimethyl-1-oxo-3h-2-benzopyran-7-yl]methyl acetate
(3s,5s)-5-[(2s,3s,4r)-2-chloro-1,3,4-trihydroxyheptyl]-3-methyloxolan-2-one
3-amino-1,7,8,11-tetrahydroxy-1h,2h,3h,6h,11h,11ah-pyrido[1,2-b]isoquinolin-4-one
1,2,15,16-tetrahydrotanshinone i
{"Ingredient_id": "HBIN000539","Ingredient_name": "1,2,15,16-tetrahydrotanshinone i","Alias": "NA","Ingredient_formula": "C18H16O3","Ingredient_Smile": "CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21064","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester
{"Ingredient_id": "HBIN005747","Ingredient_name": "2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "NA","Ingredient_weight": "280.27","OB_score": "NA","CAS_id": "126518-78-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8618","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-7-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN005771","Ingredient_name": "2-hydroxy-7-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H16O3","Ingredient_Smile": "CC1=C(C=CC2=C1CCC3=CC(=CC(=C32)C=C)C(=O)O)O","Ingredient_weight": "280.34","OB_score": "24.82961582","CAS_id": "NA","SymMap_id": "SMIT00724","TCMID_id": "9892","TCMSP_id": "MOL007919","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-8-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN005773","Ingredient_name": "2-hydroxy-8-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H16O3","Ingredient_Smile": "CC1=C(C=CC2=C1CCC3=C(C=CC(=C32)C=C)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15817","TCMID_id": "9893","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(methoxycarbonyl)propyl-β-d-glucopyra-noside
{"Ingredient_id": "HBIN008821","Ingredient_name": "3-(methoxycarbonyl)propyl-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C11H20O8","Ingredient_Smile": "COC(=O)CCCOC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13870","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-7-hydroxy-8-methyl-4-vinyl-1-phenanthrenecarboxylic acid
{"Ingredient_id": "HBIN013941","Ingredient_name": "9,10-dihydro-7-hydroxy-8-methyl-4-vinyl-1-phenanthrenecarboxylic acid","Alias": "NA","Ingredient_formula": "C18H16O3","Ingredient_Smile": "NA","Ingredient_weight": "280.32","OB_score": "NA","CAS_id": "147850-85-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7301","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-7-hydroxy-8-methyl-4-vinyl-2-phenanthrenecarboxylic acid
{"Ingredient_id": "HBIN013942","Ingredient_name": "9,10-dihydro-7-hydroxy-8-methyl-4-vinyl-2-phenanthrenecarboxylic acid","Alias": "NA","Ingredient_formula": "C18H16O3","Ingredient_Smile": "NA","Ingredient_weight": "280.32","OB_score": "NA","CAS_id": "144106-82-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7300","PubChem_id": "NA","DrugBank_id": "NA"}
asarumin d
{"Ingredient_id": "HBIN017034","Ingredient_name": "asarumin d","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1839","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
