Exact Mass: 333.1246
Exact Mass Matches: 333.1246
Found 500 metabolites which its exact mass value is equals to given mass value 333.1246,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihydrosanguinarine
Dihydrosanguinarine is a benzophenanthridine alkaloid obtained by selective hydrogenation of the 13,14-position of sanguinarine. It has a role as a metabolite and an antifungal agent. It derives from a hydride of a sanguinarine. Dihydrosanguinarine is a natural product found in Sarcocapnos baetica, Sarcocapnos saetabensis, and other organisms with data available. A benzophenanthridine alkaloid obtained by selective hydrogenation of the 13,14-position of sanguinarine. Dihydrosanguinarine is a natural compound isolated from the leaves of Macleaya microcarpa; has antifungal and anticancer activity. IC50 value: Target: in vitro: Dihydrosanguinarine showed much less cytotoxicity than sanguinarine: at the highest concentration tested (20 microM) and 24h exposure, dihydrosanguinarine decreased viability only to 52\\% [1]. Dihydrosanguinarine showed the highest antifungal activity against B. cinerea Pers, with 95.16\\% mycelial growth inhibition at 50 μg/ml [2]. dihydrosanguinarine showed the most potent leishmanicidal activities (IC(50) value: 0.014 microg/ml, respectively) [4]. in vivo: Repeated dosing of DHSG for 90 days at up to 500 ppm in the diet (i.e. approximately 58 mg/kg/day) showed no evidence of toxicity in contrast to results published in the literature [3]. Dihydrosanguinarine is a natural compound isolated from the leaves of Macleaya microcarpa; has antifungal and anticancer activity. IC50 value: Target: in vitro: Dihydrosanguinarine showed much less cytotoxicity than sanguinarine: at the highest concentration tested (20 microM) and 24h exposure, dihydrosanguinarine decreased viability only to 52\% [1]. Dihydrosanguinarine showed the highest antifungal activity against B. cinerea Pers, with 95.16\% mycelial growth inhibition at 50 μg/ml [2]. dihydrosanguinarine showed the most potent leishmanicidal activities (IC(50) value: 0.014 microg/ml, respectively) [4]. in vivo: Repeated dosing of DHSG for 90 days at up to 500 ppm in the diet (i.e. approximately 58 mg/kg/day) showed no evidence of toxicity in contrast to results published in the literature [3].
Norchelerythrine
Norchelerythrine is a benzophenanthridine alkaloid. Norchelerythrine is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum scandens, and other organisms with data available. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
Pirimiphosethyl
CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10152; ORIGINAL_PRECURSOR_SCAN_NO 10151 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10138; ORIGINAL_PRECURSOR_SCAN_NO 10137 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10202; ORIGINAL_PRECURSOR_SCAN_NO 10201 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10195; ORIGINAL_PRECURSOR_SCAN_NO 10194 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10210; ORIGINAL_PRECURSOR_SCAN_NO 10209 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10096; ORIGINAL_PRECURSOR_SCAN_NO 10095
Spartioidine
A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12 and two oxo substituents at positions 11 and 16. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2297 [Raw Data] CB082b_Seneciphylline_pos_40eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_30eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_20eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_10eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_50eV_CB000034.txt Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
Tebufenpyrad
CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10180 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10178 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10204; ORIGINAL_PRECURSOR_SCAN_NO 10202 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10140; ORIGINAL_PRECURSOR_SCAN_NO 10138
Ipconazole
CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10110; ORIGINAL_PRECURSOR_SCAN_NO 10108 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10152; ORIGINAL_PRECURSOR_SCAN_NO 10150 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10120 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10154; ORIGINAL_PRECURSOR_SCAN_NO 10152 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097
[(1S)-2-[2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-1H-imidazol-5-yl]-1-carboxyethyl]-trimethylazanium
(11S,14S)-Cyclo-(L-Trp-L-Phe)
A natural product found in Aspergillus sydowii.
Pefloxacin
Pefloxacin is only found in individuals that have used or taken this drug. It is a synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria. [PubChem]The bactericidal action of pefloxacin results from interference with the activity of the bacterial enzymes DNA gyrase and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase appears to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV appears to be the preferential target in gram-positive organisms. Interference with these two topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. As a result DNA replication and transcription is inhibited. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
gamma-Glutamyltryptophan
gamma-Glutamyltryptophan is a dipeptide composed of gamma-glutamate and tryptophan, and 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 its terminal nitrogen atom. gamma-Glutamyltryptophan 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.
Glutamyltryptophan
Glutamyltryptophan is a dipeptide composed of glutamate and tryptophan, and 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 its terminal nitrogen atom. Glutamyltryptophan 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. Glutamyltryptophan can be found in feces (PMID: 27015276). The synthetic version of this dipeptide is named Oglufanide. It was originally developed to treat severe infectious disease in Russia (where it is a registered pharmaceutical), and was extensively studied in cancer clinical trials in the United States before being acquired by Implicit Bioscience in 2005. Oglufanide works as a regulator of the bodys immune response and is being given by intranasal administration to patients with chronic hepatitis C viral infection (DB05779). C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C308 - Immunotherapeutic Agent Oglufanide (H-Glu-Trp-OH) is a dipeptide immunomodulator isolated from calf thymus. Oglufanide inhibits vascular endothelial growth factor (VEGF). Oglufanide can stimulate the immune response to hepatitic C virus (HCV) and intracellular bacterial infections. Oglufanide shows antitumor and anti-angiogenesis activities[1][2][3]. Oglufanide (H-Glu-Trp-OH) is a dipeptide immunomodulator isolated from calf thymus. Oglufanide inhibits vascular endothelial growth factor (VEGF). Oglufanide can stimulate the immune response to hepatitic C virus (HCV) and intracellular bacterial infections. Oglufanide shows antitumor and anti-angiogenesis activities[1][2][3].
Tryptophyl-Glutamate
Tryptophyl-Glutamate is a dipeptide composed of tryptophan and 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.
10-Acetoxydecarbamoylmitomycin C
Ciglitazone
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent D007004 - Hypoglycemic Agents
Oxonorfloxacin
Seneciphylline
1ST14177
Seneciphylline is a white powder. (NTP, 1992) LSM-2853 is a citraconoyl group. Seneciphylline is a natural product found in Senecio bollei, Tussilago farfara, and other organisms with data available. Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
Sinococuline
Sinococuline is a natural product found in Cocculus trilobus, Stephania excentrica, and Stephania cephalantha with data available.
Flurtamone
CONFIDENCE standard compound; INTERNAL_ID 2318 CONFIDENCE standard compound; INTERNAL_ID 8438 CONFIDENCE standard compound; INTERNAL_ID 4064 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3600 EAWAG_UCHEM_ID 3600; CONFIDENCE standard compound
Tropatepine
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Epinephrine bitartrate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
7,9-Dimethoxy-2,3-methylendioxybenzophenanthridine
4,8-dimethyl-6-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-hydroxyquinoline|4,8-dimethyl-6-O-(2?,4?-di-O-methyl-beta-D-xylopyranosyl)hydroxyquinoline
fumimycin
A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a propenyl group at position 4, hydroxy groups at positions 5 and 6, methyl group at position 3 and a [(2E)-3-carboxyprop-2-enoyl]nitrilo group at position 3. Isolated from the fermentation broth of Aspergillus fumisynnematus F746, it exhibits antibacterial activity.
5-methyl-5,6-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridine
1-(4-hydroxy-3-methoxypheny)-2-<(4-hydroxy-3-methoxyphenetyl)amino>ethanol|1-(4-hydroxy-3-methoxypheny)-2-[(4-hydroxy-3-methoxyphenetyl)amino]ethanol
N-acetyl-9-O-acetyl-2-deoxy-2,3-didehydroneuraminic acid
3-(2-hydroxy-3-methyl-but-3-enyl)-4,7,8-trimethoxy-1-methyl-1H-quinolin-2-one|Isoptelefolin
cassiarin J|methyl 3-hydroxy-2-methoxy-3-cassiarin A-acetate
5-hydroxy-2-(2-hydroxyethyl)-7-phenyl-1h-benzo[de]isoquinoline-1,6(2h)-dione
Tilivalline
A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted by an oxo group at position 5, by a hydroxy group at position 9, and by a 1H-indol-3-yl group at position 11S. It is a natural product discovered in Klebsiella oxytoca which is the causative toxin in antibiotic associated hemorrhagic colitis. It exhibits a microtubule-stabilizing activity that leads to mitotic arrest in the host cells.
7-(3-hydroxy-3-methyl-2-oxo-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|hydroxyisoorixinone|hydroxylunidonine|Hydroxyluzidonin
Convolicine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
Seneciphylline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.402 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.399 Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
(7aS)-7c-(6-hydroxymethyl-benzo[1,3]dioxol-5-yl)-6c-methoxy-1-methyl-(7ar)-2,3,5,6,7,7a-hexahydro-indol-5t-ol|9,10-methanediyldioxy-1,6-dimethyl-6,7-seco-lycoran-4(12)-ene-5alpha,7-diol|Galanthusin|galanthusine|O6-methyl-tetrahydro-hippeastrine
ciglitazone
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent D007004 - Hypoglycemic Agents
3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
C16H19N3O5_11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione
Pefloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
CI-959
CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4644; ORIGINAL_PRECURSOR_SCAN_NO 4643 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4658; ORIGINAL_PRECURSOR_SCAN_NO 4656 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4623; ORIGINAL_PRECURSOR_SCAN_NO 4622 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4643; ORIGINAL_PRECURSOR_SCAN_NO 4641 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4743; ORIGINAL_PRECURSOR_SCAN_NO 4742 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4666; ORIGINAL_PRECURSOR_SCAN_NO 4664 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9102; ORIGINAL_PRECURSOR_SCAN_NO 9101 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9117; ORIGINAL_PRECURSOR_SCAN_NO 9116 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9137; ORIGINAL_PRECURSOR_SCAN_NO 9136 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9164; ORIGINAL_PRECURSOR_SCAN_NO 9162 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9184; ORIGINAL_PRECURSOR_SCAN_NO 9183 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9157; ORIGINAL_PRECURSOR_SCAN_NO 9156
Tebufenpyrad
5,6-dihydro-6-hydroxy-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-Pyridinone
5,6-dihydro-5-hydroxy-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-Pyridinone
Gly Gly Asn Ser
Gly Gly Ser Asn
Gly Asn Gly Ser
Gly Asn Ser Gly
Gly Ser Gly Asn
Gly Ser Asn Gly
Asn Gly Gly Ser
Asn Gly Ser Gly
Asn Ser Gly Gly
Ser Gly Gly Asn
Ser Gly Asn Gly
Ser Asn Gly Gly
[[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]-, (E)-Acetic acid
11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione
2-amino-6-(4-fluorophenyl)-3-nitro-4-phenylbenzonitrile
tert-Butyl 3-(bromomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Thiazolidine, 2-(4-methylphenyl)-3-[(3-methylphenyl)sulfonyl]- (9CI)
(betaS)-beta-[[(tert-Butoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoic acid
6,7-Diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Boc-(R)-3-Amino-4-(2,4,5-Trifluoro-Phenyl)-Butyric Acid
3-AMINO-5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE
3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
1-(4-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-chlorophthalane
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
BOC-(R)-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONICACID
Boc-(R)-3-Amino-3-(4-trifluoromethylphenyl)-propionic acid
2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-
(R)-Duloxetine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Ethyl {4-[(4-fluorobenzyl)amino]-2-nitrophenyl}carbamate
Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(methylsulfonyl)- (9CI)
Methyl 1-(2,3-dihydroxypropyl)-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylate
Phosphonic acid,[2-[(phenylamino)carbonyl]phenyl]-, diethyl ester (9CI)
3-[(2-chloro-6-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
Duloxetine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Sibutramine hydrochloride monohydrate
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER
N7-METHYL-N2,N7-DIPHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
4-AMINO-5-CHLORO-2-METHOXY-N-(PIPERIDIN-4-YLMETHYL)BENZAMIDE HYDROCHLORIDE
tert-butyl 4-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate
Pentanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-4-methyl-, 1,1-dimethylethyl ester, (2R)-
3-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile
2-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile
2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5S)-
3-Oxo-3-(1-Cbz-Piperidin-4-Yl)-Propionic Acid Ethyl Ester
(E)-N-Methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethenesulfonamide
Methanone, [4-(3-chlorophenyl)-1-piperazinyl](3-ethyl-5-methyl-4-isoxazolyl)
2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE, 4-CHLORO-1-[TRIS(1-METHYLETHYL)SILYL]-
Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol hydrochloride
(2E)-2-(HYDROXYIMINO)-N-(3-METHOXYPHENYL)ACETAMIDE
(1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)-1H-indol-2-yl)boronic acid
N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide
2-Methyl-2-propanyl 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-3, 6-dihydro-1(2H)-pyridinecarboxylate
Thiazolidine, 2-(4-methylphenyl)-3-[(4-methylphenyl)sulfonyl]- (9CI)
2-[N-(2,4-dimethylphenyl)carbamoyl]-3-naphthyl acetate
3-[(TOLUENE-4-SULFONYL)-P-TOLYL-AMINO]-PROPIONIC ACID
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzothiazole-3-carboxylate
4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt
4-(4-Methoxybenzylamino)-5-ethoxycarbonyl-2-Methylthiopyrimidine
(S)-N-[{3-(4-(3-oxomorpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl}methyl]acetamide
13,14-dihydro-14,14-dimethyl-benz[c]indeno[2,1-a]carbazole
2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol
tert-butyl 3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate
Golotimod
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent Golotimod (SCV-07), an immunomodulating peptide with antimicrobial activity, significantly increases the efficacy of antituberculosis therapy, stimulates thymic and splenic cell proliferation, and improves macrophage function. Golotimod (SCV-07) inhibits STAT3 signaling and modulates the duration and severity of oral mucositis in animal models that received radiation or a combination of radiation and Cisplatin. Golotimod (SCV-07) is also a potential therapeutic for recurrent genital herpes simplex virus type 2 (HSV-2)[1][2][3].
4-(5,11-Dioxo-5H-indeno[1,2-C]isoquinolin-6(11H)-YL)butanoate
Picibanil
C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant D000970 - Antineoplastic Agents C2140 - Adjuvant
(11-Amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl acetate
(RS)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione
ethyl 2-(furan-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
5-[[[(5-Tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester
2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile
Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-
D004396 - Coloring Agents > D002232 - Carbocyanines
1-Butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-pyridinone
N-[3-(7-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxamide
3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines
1-Tert-butyl-3-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonate
5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonate
5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-D-talo-non-2-ulosonate
5,7-bis(acetamido)-3,5,7,9-tetradeoxy-L-glycero-beta-L-manno-2-nonulopyranosonic acid
Oxonorfloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
(4Z)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
(15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione
N-bicyclo[2.2.1]hept-2-yl-2-[(2,3-dimethoxyphenyl)methylene]-1-hydrazinecarbothioamide
Leu-Asp-Ser
A tripeptide composed of L-leucine, L-aspartic acid and L-serine joined in sequence by peptide linkages.
1-[5-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
7,8-Dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline
N-cyclopentyl-2-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]acetamide
5-(2-Furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
Glu-Glu-Gly
A tripeptide composed of two L-glutamic acid and one glycine residues joined in sequence.
(2S)-2-{[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]amino}-3-methyl-3-sulfanylbutanoate
3-methyl-N,6-diphenyl-2-imidazo[2,1-b]thiazolecarboxamide
2-[2-[[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethoxy]ethanol
2-[4-(4-Chloro-2-nitrophenyl)-1-piperazinyl]phenol
2-cyclopentyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
1-(3-Chlorophenyl)-3-[2-(dimethylamino)-2-phenylethyl]thiourea
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone
7-methoxy-N-(3-pyridinylmethyl)-2-furo[2,3-b]quinolinecarboxamide
[2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone
1-(3-Methylphenyl)-3-[[oxo-(5-propyl-3-thiophenyl)methyl]amino]thiourea
2-[[5-(4-Fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone
2-[(7-Ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl ester
naphthalen-2-yl (2S)-2-acetamido-3-phenylpropanoate
3-hydroxy-7-(hydroxymethyl)-6-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
1-[1-(1-Ethyl-3-methyl-4-pyrazolyl)ethyl]-3-(3-nitrophenyl)thiourea
(2E,5Z)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]thiazolidin-4-one
1-[4-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
(7R)-7-[4-(6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
3-Ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(2S,3S,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
(2R,3R,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
4-[4-[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7S,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7R,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7S,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
(2S)-5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
7-[[(2S)-2-aminopropyl]amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-
[(5R)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
Dibutyl 2-(N-trifluoroacetylamino)ethylphosphonate
2-Trimethylsilyloxy-4-quinolinecarboxylicacid trimethylsilyl ester
5-Tert-butyl-2,3-dimethoxycarbonyl-5,6-dihydropyrrolo(1,2-D)(1,2,4)triazocin-6-one
Chelerythrine
Norchelerythrine is a benzophenanthridine alkaloid. Norchelerythrine is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum scandens, and other organisms with data available. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
Oglufanide
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C308 - Immunotherapeutic Agent Oglufanide (H-Glu-Trp-OH) is a dipeptide immunomodulator isolated from calf thymus. Oglufanide inhibits vascular endothelial growth factor (VEGF). Oglufanide can stimulate the immune response to hepatitic C virus (HCV) and intracellular bacterial infections. Oglufanide shows antitumor and anti-angiogenesis activities[1][2][3]. Oglufanide (H-Glu-Trp-OH) is a dipeptide immunomodulator isolated from calf thymus. Oglufanide inhibits vascular endothelial growth factor (VEGF). Oglufanide can stimulate the immune response to hepatitic C virus (HCV) and intracellular bacterial infections. Oglufanide shows antitumor and anti-angiogenesis activities[1][2][3].
7-demethylmitomycin B(2-)
A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
7-demethylmitomycin A(2-)
A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Glu-TRP
A dipeptide composed of L-glutamic acid and L-tryptophan joined by a peptide linkage.
pyranonigrin H
A member of the class of pyranopyrroles with formula C18H23NO5, originally isolated from Aspergillus niger.
B-Raf IN 15
B-Raf IN 15 (Compound 7) is a BRAF inhibitor. B-Raf IN 15 inhibits BRAF WT and BRAF V600E with IC50s of 2.0 and 0.8 μM. B-Raf IN 15 can be used for the research of cancer[1].
CP-409092 (hydrochloride)
CP-409092 hydrochloride is a partial agonist of GABAA receptor, with anti-anxiety activity[1].
