Exact Mass: 244.1383
Exact Mass Matches: 244.1383
Found 500 metabolites which its exact mass value is equals to given mass value 244.1383,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Osthol
Osthol, also known as 7-methoxy-8-(3-methylpent-2-enyl)coumarin, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Osthol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Osthol can be found in a number of food items such as wild celery, lemon, parsley, and wild carrot, which makes osthol a potential biomarker for the consumption of these food products. Osthol is an O-methylated coumarin. It is a calcium channel blocker, found in plants such as Cnidium monnieri, Angelica archangelica and Angelica pubescens . Osthole is a member of coumarins and a botanical anti-fungal agent. It has a role as a metabolite. Osthole is a natural product found in Murraya alata, Pentaceras australe, and other organisms with data available. See also: Angelica pubescens root (part of). D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
Linderalactone
Isolinderalactone is a member of benzofurans. It has a role as a metabolite. Isolinderalactone is a natural product found in Neolitsea villosa, Neolitsea hiiranensis, and other organisms with data available. A natural product found in Neolitsea daibuensis. Linderalactone is a natural product found in Neolitsea umbrosa, Neolitsea villosa, and other organisms with data available. Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2]. Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2].
Anagyrine
Anagyrine is an alkaloid. Anagyrine is a natural product found in Daphniphyllum oldhamii, Ormosia fordiana, and other organisms with data available. Thermospine is a natural product found in Platycelyphium voense, Thermopsis mongolica, and other organisms with data available. Thermopsine is a quinolizidine alkaloid isolated from the fruits and pods and stem bark of Sophora velutina subsp. Thermopsine has antibacterial activity[1].
Sophoramine
Sophoramine is a naphthyridine derivative. Sophoramine is a natural product found in Sophora viciifolia, Sophora pachycarpa, and other organisms with data available.
Etomidate
Etomidate is only found in individuals that have used or taken this drug. It is an midazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic. [PubChem]Etomidate binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Cyclo(Phe-Pro)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
3,3'-Dimethoxybenzidine
CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4566; ORIGINAL_PRECURSOR_SCAN_NO 4562 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4500; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4448 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4493; ORIGINAL_PRECURSOR_SCAN_NO 4488 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4505; ORIGINAL_PRECURSOR_SCAN_NO 4500 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4496; ORIGINAL_PRECURSOR_SCAN_NO 4493 CONFIDENCE standard compound; INTERNAL_ID 4140 CONFIDENCE standard compound; INTERNAL_ID 2427
Batatasin IV
Batatasin IV is found in root vegetables. Batatasin IV is a constituent of the bulbs of Dioscorea batatus (Chinese yam)
Rhombifoline
Rhombifoline is a natural product found in Plagiocarpus axillaris, Cristonia biloba, and other organisms with data available. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1]. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1].
Thermopsine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.144 Thermopsine is a quinolizidine alkaloid isolated from the fruits and pods and stem bark of Sophora velutina subsp. Thermopsine has antibacterial activity[1].
Batatasin III
Batatasin III is a stilbenoid. batatasin III is a natural product found in Bulbophyllum reptans, Cymbidium aloifolium, and other organisms with data available. Batatasin III is found in root vegetables. Batatasin III is a constituent of Dioscorea batatas (Chinese yam) Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1]. Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1]. Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1].
3-(1,1-Dimethylallyl)herniarin
3-(1,1-Dimethylallyl)herniarin is found in herbs and spices. 3-(1,1-Dimethylallyl)herniarin is a constituent of Ruta graveolens (rue)
Glandulone B
Glandulone B is found in fats and oils. Glandulone B is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Glandulone B is found in fats and oils.
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran is found in beverages. 5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran is a constituent of a fungus obtained from wintergreen (Gaultheria procumbens)
Hydroxyprolyl-Leucine
Hydroxyprolyl-Leucine is a dipeptide composed of hydroxyproline and leucine. 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.
Hydroxyprolyl-Isoleucine
Hydroxyprolyl-Isoleucine is a dipeptide composed of hydroxyproline and isoleucine. 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.
Isoleucylhydroxyproline
Isoleucylhydroxyproline is a dipeptide composed of isoleucine and hydroxyproline. 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.
Leucylhydroxyproline
Leucylhydroxyproline is a dipeptide composed of leucine and hydroxyproline. 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.
Polyethylene, oxidized
Polyethylene, oxidized is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
(2R,4S)-1-Tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
Butanoyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
Suberosin
Suberosin, also known as 7-methoxy-6-prenylcoumarin, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Suberosin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Suberosin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes suberosin a potential biomarker for the consumption of these food products. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2]. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2].
Suberosin
Suberosin is a member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. It has a role as a plant metabolite and an anticoagulant. It is a member of coumarins and an aromatic ether. It is functionally related to a 7-demethylsuberosin. Suberosin is a natural product found in Zanthoxylum ovalifolium, Prangos bucharica, and other organisms with data available. A member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2]. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2].
Lumiyomogin
dehydroleucodin
Dehydroleucodine is a natural product found in Eupatorium capillifolium, Podachaenium eminens, and other organisms with data available.
Chloranthalactone B
Chloranthalactone B is a natural product found in Chloranthus serratus and Sarcandra glabra with data available.
Linderoxide
Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Isolinderoxide
2-Fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}benzonitrile
2,4-Diamino-2,3,4,6-tetradeoxy-arabino-hexose,9CI,8CI-Me glycoside, 2,4-di-N-Ac
14-acetoxy-tetradeca-2t,4t,8t,10t-tetraen-6-yne|Ac-4,6,10,12-Tetradecatetraen-8-yn-2-ol,|Tetradecatetra-4,6,10,12-en-8-in-1-ol-acetat
pandangolide 1
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1a.
Me ether-(2R*,5S*,1E,3E)-form-Tetrahydro-5-(1,3-undecadiene-5,7-diynyl)-2-furanol,
6alpha-Furanoeremophilan-15, 6-olide|Furanoermophilan-14, 6-olide
(3S*,4R*,5R*)-3-hydroxymethyl-4-(1-acetoxyisopropyl)-5-isopropenyl-1,2-dioxolane
4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid ethyl ester
(5beta,8alpha,9alpha,10beta)-5,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one|stagonolide B
(1S,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.234 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.232
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
Cyclo(Pro-Phe)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
C15H20N2O_2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)
C14H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)
Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)), a Vibrio vulnificus quorum-sensing molecule, inhibits retinoic acid-inducible gene-I (RIG-I) polyubiquitination, through its specific interaction with RIG-I, to blunt IRF-3 activation and type-I IFN production. Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)) enhances susceptibility to hepatitis C virus (HCV), as well as Sendai and influenza viruses[1].
Etomidate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Sophoramine
Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids, Sophora alkaloid
(3R,8aS)-Cyclo(phenylalanylprolyl)
Origin: Microbe; SubCategory_DNP: Peptides, Cyclic peptides, Piperazines
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based: Match]
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based on: CCMSLIB00000848611]
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one_major
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid
6-Methoxy-4a-methyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone
14-METHOXY-4,4-BISNOR-8,11,13-PODOCARPATRIEN-3-ONE
(6E)-3,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)propionic acid
(S)-1-N-Boc-piperazine-3-carboxylicacid methylester
(2E,4E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dienal
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)acetic acid
METHYL (2R,4R)-4-AMINOPYRROLIDINE-2-CARBOXYLATE, N1-BOC PROTECTED
trans-6-Chloro-1-hexen-1-ylboronic acid pinacol ester
3-Benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
5-METHYL-2-(4-METHYLPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-2-YL)ACETIC ACID
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
(1S,2S,5R)-1-ALLYL-2-ISOPROPYL-5-METHYLCYCLOHEXANOL
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
Ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
tert-butyl 3-(Methylsulfanyl)-2,5,6,7-tetrahydro-1H-1,4-diazepin
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
(4-Isobutylmorpholin-2-yl)methanamine dihydrochloride
(4R,5R)-4,5-Di(dimethylaminocarbonyl)-2,2-dimethyldioxolane, 99+\\%
(2S,4S)-N-Boc-4-hydroxypiperidine-2-carboxylic acid benzylamine salt
2-(benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Ethyl 1,3,4,5-tetrahydro-2H-pyrido[4,3,b]indole-2-carboxylate
3-[2-OXO-2-PHENYL-ETH-(Z)-YLIDENE]-[1,4]DIAZOCAN-2-ONE
(E)-1-(1-(FURAN-2-YL)PROP-1-EN-2-YL)CYCLOPROPANAMINE
2,3-Dihydro-1H-inden-5-boronic acid, pinacol ester
Veliparib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
2-Benzyl-5-Methyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
Methyl (2R,4R)-1-Boc-4-aminopyrrolidine-2-carboxylate
4,4-Difluorocyclohexene-1-boronic acid pinacol ester
Imidazo[1,2-a]pyridine-7-boronic acid pinacol ester
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole
(2S,4R)-4-(aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
1-(DIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
1H-Pyrrolo[3,2-B]pyridine-6-boronic acid pinacol ester
2-CYCLOPENTYL-5-HYDROXY-6,7-DIMETHYL-2,3-DIHYDRO-1H-INDEN-1-ONE
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
4-PIPERIDINECARBOXAMIDE, 1-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-
1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
(1,2-DIMETHYL-1H-BENZOIMIDAZOL-5-YL)-(4-ETHOXY-BENZYL)-AMINE
2,7-Diazaspiro[4.4]nonane-1,3-dione, 2-(phenylmethyl)-
ethyl (Z)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate
1,4-Dimethyl-3-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-5-ol
Propanedioic acid,2-(2,2-dimethyl-1-oxopropyl)-, 1,3-diethyl ester
3-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-4-METHOXY-BENZALDEHYDE
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile
(2S,4S)-4-(aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
(2R,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
c-(4-butyl-morpholin-2-yl)-methylamine dihydrochloride
1-(1-PHENYL-1,3,4,9-TETRAHYDRO-BETA-CARBOLIN-2-YL)-ETHANONE
6-benzyl-5,7-dioxo-octahydropyrrolo[3,4-b] pyridine
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
6-DEOXY-1,2:3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan
1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
1-tert-Butyl 4-methyl piperazine-1,4-dicarboxylate
6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
3-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE-3-CARBOXYLIC ACID
2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
4-Methyl-piperazine-1,2-dicarboxylic acid 1-tert-butyl ester
4-Methyl-1-(phenylmethyl)-1H-imidazole-2-carboxylic acid ethyl ester
N-[2-(1H-Indol-3-yl)ethyl]-2,2-dimethylpropanamide
2,3,6,7-Tetrahydro-9-[(E)-2-nitrovinyl]-1H,5H-benzo[ij]quinolizine
2-[(1R,2R)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol
1-[trans-4-(5-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine(SALTDATA: FREE)
(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
(R)-1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
(2S,4R)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE-2-CARBOXYLATE
(S)-BENZYL 2-(CYANOMETHYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl 3-(thiocarbamoyl)piperidine-1-carboxylate
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-
Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)), a Vibrio vulnificus quorum-sensing molecule, inhibits retinoic acid-inducible gene-I (RIG-I) polyubiquitination, through its specific interaction with RIG-I, to blunt IRF-3 activation and type-I IFN production. Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)) enhances susceptibility to hepatitis C virus (HCV), as well as Sendai and influenza viruses[1].
3,4,9-Trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
2-(3-Methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)cyclohexa-2,5-diene-1,4-dione
A natural product found in Sporochnus comosus and Perithalia capillaris.
8-Hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
CYCLO(-PHE-PRO)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
3-Oxo-7-methyloctanoic acid 2-oxo-3-hydroxypropyl ester
[3-Carboxy-2-(3-methylbut-2-enoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(2-methylidenebutanoyloxy)propyl]-trimethylazanium
(3-Carboxy-2-pent-4-enoyloxypropyl)-trimethylazanium
[3-carboxy-2-[(E)-pent-2-enoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(E)-2-methylbut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-pent-3-enoyl]oxypropyl]-trimethylazanium
Imiloxan
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Pandangolide 1a
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1.
(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidine-2-carboxylate
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
4-amino-5-[(2R)-2-borono-1-pyrrolidinyl]-5-oxopentanoic acid
5,5-Dimethyl-2-(pyridin-3-yliminomethyl)cyclohexane-1,3-dione
2-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrazin-6-one
5-(2-Amino-4-methylphenyl)imino-3,3-dimethylcyclohexan-1-one
N,N-diethyl-2-(5-phenyl-1,2-oxazol-3-yl)ethanamine
[3-carboxy-2-[(E)-2-methylbut-2-enoyl]oxypropyl]-trimethylazanium
2,3,4,5-Tetrahydro-1,1,3,3-tetramethyl-1H-pyrido[4,3-b]indol-8-ol
6-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydro-gamma-carboline
Methyl 2-cyano-3-methyl-5-phenylpyrrolidine-4-carboxylate ((2S)2,3-cis-3,4-trans-4,5-cis)
2-(4-Methylphenyl)-5-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
(1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-one
Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1]. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1].
Lys-Pro(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Lys-Pro; major species at pH 7.3.
tyrvalin
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and (4-hydroxyphenyl)methyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus.
(3s)-9-hydroxy-3-(methoxycarbonyl)-2-methylidenenonanoic acid
(2r)-5-[(3-methylbut-2-en-1-yl)oxy]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran
(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one
2-[(3s,4s,5r)-3-(hydroxymethyl)-5-(prop-1-en-2-yl)-1,2-dioxolan-4-yl]propan-2-yl acetate
7-methoxy-3,5-dimethyl-6-(pent-3-en-1-yl)-1-benzofuran
6-[(4-hydroxyphenyl)methyl]-3-isopropyl-1h-pyrazin-2-one
(2r)-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-6-ol
(6as,10ar)-6,6,9-trimethyl-6ah,7h,8h,10ah-benzo[c]isochromen-2-ol
2-(prop-2-en-1-yl)-1,8-diazatetracyclo[8.3.1.0³,⁸.0³,¹²]tetradec-4-en-7-one
methyl 2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylate
(1s,9s,10r,12s)-4-(methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3(7),4-diene
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
(3e)-4-[(1s,2r,4s)-1,2,4,6-tetrahydroxy-2,6-dimethylcyclohexyl]but-3-en-2-one
(3s,5s)-5-{hydroxy[(2s,3s)-3-[(1r)-1-hydroxybutyl]oxiran-2-yl]methyl}-3-methyloxolan-2-one
(5s,8r)-8-methoxy-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan
methyl 8-isopropyl-5-methyl-3,4-dihydronaphthalene-2-carboxylate
7-[(acetyloxy)methyl]-3-hydroxy-3-methyloct-6-enoic acid
anagyrine
{"Ingredient_id": "HBIN015975","Ingredient_name": "anagyrine","Alias": "FYU1U980Q9; 5-24-03-00410 (Beilstein Handbook Reference); (1R,9R,10R)-7,15-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)?,(1)?]HEPTADECA-2,4-DIEN-6-ONE; BRN 0086776; ANAGYRINE; (-)-Anagyrine; UNII-FYU1U980Q9; 7,7a,8,9,10,11,13,14-Octahydro-7,14-memethano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one; 3,4,5,6-Tetradehydrospartein-2-one; (7alpha)-11,12,13,14-tetradehydrospartein-15-one; (-)-anagyrine; CHEMBL509692; Rhombinine; Anagyrine; AC1LE9O5; NSC76019; ZINC900282; Monolupine; 486-89-5","Ingredient_formula": "C15H20N2O","Ingredient_Smile": "C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O","Ingredient_weight": "244.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01268;SMIT05719","TCMID_id": "1134","TCMSP_id": "MOL003687;MOL006571","TCM_ID_id": "6815;17611","PubChem_id": "71056954","DrugBank_id": "NA"}
