Exact Mass: 345.1163594
Exact Mass Matches: 345.1163594
Found 439 metabolites which its exact mass value is equals to given mass value 345.1163594,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Triflumizole
CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4745; ORIGINAL_PRECURSOR_SCAN_NO 4742 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4719; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4736; ORIGINAL_PRECURSOR_SCAN_NO 4734 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4793; ORIGINAL_PRECURSOR_SCAN_NO 4791 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4768; ORIGINAL_PRECURSOR_SCAN_NO 4766 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4866; ORIGINAL_PRECURSOR_SCAN_NO 4864 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9932; ORIGINAL_PRECURSOR_SCAN_NO 9930 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9966; ORIGINAL_PRECURSOR_SCAN_NO 9964 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9898; ORIGINAL_PRECURSOR_SCAN_NO 9896 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9932; ORIGINAL_PRECURSOR_SCAN_NO 9927 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9953; ORIGINAL_PRECURSOR_SCAN_NO 9952 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9950; ORIGINAL_PRECURSOR_SCAN_NO 9949
Omeprazole
C17H19N3O3S (345.11470640000005)
Omeprazole is a highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers, dyspepsia, peptic ulcer disease , gastroesophageal reflux disease and Zollinger-Ellison syndrome. The drug inhibits the H(+)-K(+)-ATPase (H(+)-K(+)-exchanging ATPase) in the proton pump of Gastric Parietal Cells.--Pubchem. Omeprazole is one of the most widely prescribed drugs internationally and is available over the counter in some countries. Proton pump inhibitor, inhibits gastric acid secretion. Antiulcer agent. It is used in combination with Amoxicillin for eradication of Helicobacter pylori and for the treatment of gastroesophageal reflux disease (CCD) A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Omeprazole (H 16868), a proton pump inhibitor (PPI), is available for treatment of acid-related gastrointestinal disorders. Omeprazole shows competitive inhibition of CYP2C19 activity with a Ki of 2 to 6 μM[1]. Omeprazole also inhibits growth of Gram-positive and Gram-negative bacteria[2].Omeprazole is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[3].
Thiamine monophosphate
[C12H18N4O4PS]+ (345.07863380000003)
Thiamine monophosphate, also known as thiamin phosphoric acid or TMP, belongs to the class of organic compounds known as thiamine phosphates. These are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group. Thiamine monophosphate is a very strong basic compound (based on its pKa). Thiamine monophosphate is one of the five known natural thiamine phosphate derivatives. Thiamine (vitamin B1) is the transport form of the vitamin while the phosphorylated derivatives are the active forms. Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate. -- Pubchem [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. D018977 - Micronutrients > D014815 - Vitamins KEIO_ID T057; [MS3] KO009298 KEIO_ID T057; [MS2] KO009297 KEIO_ID T057
Capensinidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively.
Hirsutidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 5, a methoxy group at position 7 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2.
Isofenphos
Isofenphos is an Agricultural insecticide with contact and stomach actio C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Esomeprazole
C17H19N3O3S (345.11470640000005)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
Esomeprazole
C17H19N3O3S (345.11470640000005)
Esomeprazole is a proton pump inhibitor (brand names Nexium; Esomeprazole is a proton pump inhibitor which reduces gastric acid secretion through inhibition of H+/K+-ATPase in gastric parietal cells. By inhibiting the functioning of this enzyme, the drug prevents formation of gastric acid.; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Esomeprazole is a proton pump inhibitor (brand names Nexium; Esomeprazole is a proton pump inhibitor (brand names Nexium; Lucen; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Lucen; A highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers and Zollinger-Ellison syndrome. The drug inhibits the H(+)-K(+)-ATPase (H(+)-K(+)-exchanging ATPase) in the proton pump of gastric parietal cells. [HMDB] Esomeprazole (brand names Nexium; Lucen; Esopral and Axagon in Italy) is a proton pump inhibitor which reduces gastric acid secretion through the inhibition of H+/K+-ATPase in gastric parietal cells. By inhibiting the functioning of this enzyme, the drug prevents the formation of gastric acid. Esomeprazole is used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD), and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
3-(3-Amino-3-carboxypropyl)uridine
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane
C19H23NO5 (345.15761480000003)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
1-(4-Chlorophenyl)-2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
C19H20ClNO3 (345.1131640000001)
5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
C17H19N3O3S (345.11470640000005)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents BMS 182874 is an orallyactive, highly selective endothelin receptor (ETA receptor) antagonist, with IC50 value of 0.150 μM, Ki of 0.055 μM. BMS 182874 reduces the arterial pressure of Deoxycorticosterone acetate (HY-B1472) induced hypertension model in rats, and can be used for cardiovascular disease research[1].
Aquex
C14H20ClN3O3S (345.09138400000006)
4-[2-(3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl]-3H-1,2,4-triazole-3,5(4H)-dione
C15H15N5O5 (345.10731400000003)
Inolin
C19H23NO5 (345.15761480000003)
Oxo-ciprofloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Oxociprofloxacin
2-(Furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents SCH 58261 is a potent, selective and competitive antagonist of adenosine A2A receptor with an IC50 of 15 nM, and displays 323-, 53- and 100-fold more selective for A2A receptor than A1, A2B, and A3 receptors, respectively[1][2][3].
Tetraisopropylpyrophosphoric acid amide
C12H29NO6P2 (345.14700339999996)
Vonoprazan
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
2-(n-butyl)-5-hydroxy-7-phenyl-2H-benzo[de]isoquinoline-1,6-dione
EP_M346
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2201
N-Desmethyl-8??-ethoxy pretazettine
C19H23NO5 (345.15761480000003)
10beta-Hydroxy-3,4-dimethoxy-17-methyl-hasubanan-7,8-dion|10beta-hydroxy-3,4-dimethoxy-17-methyl-hasubanan-7,8-dione
C19H23NO5 (345.15761480000003)
3-(3-Amino-3-carboxypropyl)-uridin|3-(3-amino-3-carboxypropyl)uridine|acp3U|X-Nucleosid
L,L,D-alpha-aminodipoyl-serinyl-isodehydrovaline
C14H23N3O7 (345.15359279999996)
(+/-)-N-formyl-1,2-dihydrorenierone|(2-formyl-1,2,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|N-Formyl-1,2-dihydrorenierone
6-Mehylaminopurindeoxyribosid-5-monophosphat|N6-methyl-2-deoxy-[5]adenylic acid|N6-methyl-2-deoxyadenosine 5-monophosphate|N6-Methyl-2-desoxy-[5]adenylsaeure|N6-methyl-dAMP|N6-methyldeoxyadenosine 5-phosphate
C11H16N5O6P (345.08381660000003)
3alpha,6alpha,7-trimethoxy-crin-1-ene|6-Methoxybuphanidrin|6alpha-methoxy-buphanidrine|6alpha-methoxybuphanidrine
C19H23NO5 (345.15761480000003)
N-2-(3,4,5-trimethoxyphenyl)ethyl-2-hydroxybenzamide
C19H23NO5 (345.15761480000003)
2-Butyl-5-hydroxy-7-phenyl-6H-benzo[de]isoquinoline-1,6(2H)-dione
1-Hydroxy-2,3,5,6-tetramethoxy-10-methylacridin-9(10H)-one
4,5-epoxy-10-hydroxy-3,6-dimethoxy-17-methyl-morphinan-8-one|Metaphanin
C19H23NO5 (345.15761480000003)
1-(1-Methoxyethyl)-8,13-dihydroindolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine-5(7H)-one
Izumiphenazine C
C20H15N3O3 (345.11133600000005)
A natural product found in Streptomyces species.
3alpha-(4,4,4-Trichloro-2-butyryloxy)tropane
C17H22Cl3N (345.08177420000004)
clopamide
C14H20ClN3O3S (345.09138400000006)
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
omeprazole
C17H19N3O3S (345.11470640000005)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 8334 CONFIDENCE standard compound; INTERNAL_ID 1113 Omeprazole (H 16868), a proton pump inhibitor (PPI), is available for treatment of acid-related gastrointestinal disorders. Omeprazole shows competitive inhibition of CYP2C19 activity with a Ki of 2 to 6 μM[1]. Omeprazole also inhibits growth of Gram-positive and Gram-negative bacteria[2].Omeprazole is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[3].
Thiamine monophosphate chloride dihydrate
[C12H18N4O4PS]+ (345.07863380000003)
Thiamine monophosphate
C12H18N4O4PS+ (345.07863380000003)
D018977 - Micronutrients > D014815 - Vitamins
Ala Ala Ala Asn
Ala Ala Gly Gln
Ala Ala Asn Ala
Ala Ala Gln Gly
Ala Gly Ala Gln
Ala Gly Gln Ala
Ala Asn Ala Ala
Ala Gln Ala Gly
Ala Gln Gly Ala
Gly Ala Ala Gln
Gly Ala Gln Ala
Gly Gly Asn Val
Gly Gly Val Asn
Gly Asn Gly Val
Gly Asn Val Gly
Gly Gln Ala Ala
Gly Val Gly Asn
Gly Val Asn Gly
Asn Ala Ala Ala
Asn Gly Gly Val
Asn Gly Val Gly
Asn Val Gly Gly
Gln Ala Ala Gly
Gln Ala Gly Ala
Gln Gly Ala Ala
Val Gly Gly Asn
Val Gly Asn Gly
Val Asn Gly Gly
2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE (WB 4101)
C19H23NO5 (345.15761480000003)
2-amino-6-(4-methoxyphenyl)-3-nitro-4-phenylbenzonitrile
C20H15N3O3 (345.11133600000005)
3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on
N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-sulfonamide
benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-,hydroxide, inner salt
C18H19NO4S (345.10347340000004)
1-BOC-4-[3-(TRIFLUOROMETHYL)PHENYL]-4-HYDROXYPIPERIDINE
C17H22F3NO3 (345.15516980000007)
5-O-benzyl 2-O-ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylate
C18H19NO4S (345.10347340000004)
2-[4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-1-yl]-4-methyl-1,3-thiazole
4-hydroxy-7-[(4-methoxyphenyl)amino]naphthalen-2-sulphonic acid
Metofoline
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
R-Fluoxetine hydrochloride
C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
sodium,methyl 2,2-dimethyl-4,6-dioxo-5-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexane-1-carboxylate
Tretoquinolum
C19H23NO5 (345.15761480000003)
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
3-(3-(NAPHTHALEN-1-YLOXY)PROPYL)-1H-INDOLE-2-CARBOXYLIC ACID
2-amino-4-(4-methoxyphenyl)-3-nitro-6-phenylbenzonitrile
C20H15N3O3 (345.11133600000005)
Piperidine,2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-, hydrochloride (1:1), (2R)-
N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenyl)acetamide
C15H19BF3NO4 (345.13591600000007)
2-CHLORO-1-(6,7-DIMETHOXY-1-PHENYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANONE
C19H20ClNO3 (345.1131640000001)
(S)-N1-(2-aminoethyl)-3-(4-ethoxyphenyl)propane-1,2-diamine.3HCl
C13H26Cl3N3O (345.11413560000005)
3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylpyridin-4-yl]oxypropan-1-ol
C17H19N3O3S (345.11470640000005)
Savolitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
N-(4-(5-(FURAN-2-YL)-1,3,4-OXADIAZOL-2-YL)PHENYL)-2-PHENYLACETAMIDE
C20H15N3O3 (345.11133600000005)
1-hydroxy-4-[(4-methoxyphenyl)amino]anthraquinone
C21H15NO4 (345.10010300000005)
3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide
C18H20BrNO (345.07281700000004)
Carbamic acid, [5-oxo-5-[4-(trifluoromethyl)phenyl]pentyl]-, 1,1-dimethylethyl ester
C17H22F3NO3 (345.15516980000007)
1,1,2-trimethyl-3-(4-sulfobutyl)-1h-benz[e]indolium hydroxide, inner salt
C19H23NO3S (345.1398568000001)
3-[1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1H-indole
3-(4-CHLORO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H20ClNO4S (345.08015100000006)
1-(TERT-BUTOXYCARBONYL)-5-(TRIFLUOROMETHOXY)INDOLE-2-BORONIC ACID
C14H15BF3NO5 (345.09953260000003)
[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethoxy)indol-2-yl]boronic acid
C14H15BF3NO5 (345.09953260000003)
Piperidine,2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride (1:1)
2-Pyridinecarboxylic acid, 4-[4-(methylamino)-3-nitrophenoxy]-, 1,1-dimethylethyl ester
2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
Fluoxetine Hydrochloride
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
t-butyl-4-n-z-amino-2-fluoro-benzoate
C19H20FNO4 (345.13762920000005)
3-(3-Trifluoromethyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
C17H22F3NO3 (345.15516980000007)
4-Methoxy-2-naphthylamine p-toluenesulfonate salt
C18H19NO4S (345.10347340000004)
2-(5-((TERT-BUTOXYCARBONYL)AMINO)-6-OXO-2-PHENYLPYRIMIDIN-1(6H)-YL)ACETIC ACID
4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
C20H15N3OS (345.09357800000004)
tert-butyl 5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylate
Benzydamine hydrochloride
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents
1-BOC-4-(4-TRIFLUOROMETHYLPHENOXY)PIPERIDINE
C17H22F3NO3 (345.15516980000007)
N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
(4R,4aR,7S,7aR,12bS)-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7,9-diol,acetate
C19H23NO5 (345.15761480000003)
4-PHENYL-1-(PHENYLSULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
C18H19NO4S (345.10347340000004)
benzene-1,2,4-tricarboxylic acid,3-(2-methylimidazol-1-yl)propanenitrile
2-amino-4-(3-methoxyphenyl)-3-nitro-6-phenylbenzonitrile
C20H15N3O3 (345.11133600000005)
(4-PHENYLPIPERAZIN-1-YL)PIPERIDIN-4-YL-METHANONE DIHYDROCHLORIDE
C16H25Cl2N3O (345.13745800000004)
tert-Butyl 4-(2-(trifluoromethyl)phenoxy)piperidine-1-carboxylate
C17H22F3NO3 (345.15516980000007)
4-[[4-[4-(hydroxymethyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
C20H19N5O (345.15895240000003)
3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione
C17H20FN5S (345.14233720000004)
5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrole-2,5-dione
C18H19NO2S2 (345.08571539999997)
(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic acid
C20H15N3O3 (345.11133600000005)
alpha-Methylene adenosine monophosphate
C11H16N5O6P (345.08381660000003)
(5,6-Diphenyl-furo[2,3-D]pyrimidin-4-ylamino)-acetic
Gevotroline hydrochloride
C19H21ClFN3 (345.14079480000004)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Tretoquinol
C19H23NO5 (345.15761480000003)
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Ethyl 5-amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
(E)-3-(4-fluorophenyl)-N-[(pyrazine-2-carbonylamino)carbamothioyl]prop-2-enamide
C15H12FN5O2S (345.06957040000003)
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
C15H18F3N3O3 (345.13001940000004)
4-amino-N-[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]benzamide
C20H15N3O3 (345.11133600000005)
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide
methyl 2-[4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
C18H16ClNO4 (345.07678060000006)
2-[[3-(5-Methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
2-[[4-(4-Methoxyphenyl)-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone
C17H19N3O3S (345.11470640000005)
N6-Methyl-deoxy-adenosine-5-monophosphate
C11H16N5O6P (345.08381660000003)
2-(4-Tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
1-benzyl-5-chloro-N-cycloheptyl-3-methyl-1H-pyrazole-4-carboxamide
N-[[3-Fluoro-4-ethoxy-pyrid-2-YL]ethyl]-N-[5-nitrilomethyl-pyridyl]-thiourea
4-(2-(1H-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
N-Hydroxy 1N(4-methoxyphenyl)sulfonyl-4-(Z,E-N-methoxyimino)pyrrolidine-2R-carboxamide
D-Para-Chlorophenyl-1-Acteamidoboronic Acid Alanine
C13H19BClN2O6- (345.10246340000003)
[(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron
C13H19BClN2O6- (345.10246340000003)
Vonoprazan
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
2-[(2-Acetyl-5-tert-butylthiophen-3-yl)carbamoyl]benzoic acid
C18H19NO4S (345.10347340000004)
4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazol-3-ol
[6-Amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium
C21H17N2O3+ (345.12391119999995)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Adenosine 5-phosphoramidate(1-)
Conjugate base of adenosine 5-phosphoramidate; major species at pH 7.3.
Aspyridone B
C19H23NO5 (345.15761480000003)
2-Pyridone carrying as substituents a branched dimethylhexanoyl group, a hydroxy group and a 3,4-dihydroxyphenyl group at C-3, -4 and -5 respectively. Secondary metabolite produced by Aspergillus spp.
(4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate
(1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
[(2R,3S,5R)-3-hydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
C11H16N5O6P (345.08381660000003)
Oxociprofloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
4-Hydroxy-6-{[(3-methylbutanoyl)oxy](phenyl)methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid
4,5-Dimethoxy-2-[(2-phenoxypropanoyl)amino]benzoic acid
gibberellin A3(1-)
A gibberellin carboxylic acid anion obtained by deprotonation of the carboxy group of gibberellin A3. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
{[5-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-methyl-furan-3-carbonyl]-amino}-acetic acid ethyl ester
5-Amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester
(5E)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
3-Diphenylphosphoryl-1,2-dimethylindole
C22H20NOP (345.12824400000005)
1-[4-(4-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
2-(2,3-Dimethoxyphenyl)-3-(4-methoxyphenyl)-4-thiazolidinone
C18H19NO4S (345.10347340000004)
2-[[(4-Acetyloxy-3-methoxyphenyl)-oxomethyl]amino]-5-hydroxybenzoic acid
C17H15NO7 (345.08484799999997)
3-Butyl-10-phenylpyrimido[4,5-b]quinoline-2,4-dione
N-[N-(Furan-2-carbonyl)-hydrazinocarbothioyl]-3-(4-methoxy-phenyl)-acrylamide
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide
C17H16ClN3O3 (345.08801359999995)
3,4,5-Trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
1-[1-(3-Fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone
(4Z)-2-(4-methylphenyl)-4-[(1,2,4-triazol-4-ylamino)methylidene]isoquinoline-1,3-dione
N-(2-fluorophenyl)-3-[4-(2-fluorophenyl)-1-piperazinyl]propanamide
N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide
C17H19N3O3S (345.11470640000005)
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
C19H23NO5 (345.15761480000003)
4-[[2-(4-Ethyl-1-piperazinyl)-2-oxoethyl]thio]-1-methyl-2-quinolinone
N-(2-oxolanylmethyl)-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
6-[(2,4-Difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-furanyl)-4-quinazolinamine
C20H15N3O3 (345.11133600000005)
3-hydroxy-2-(4-methylphenyl)-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]isoquinolin-1-one
6-[(2,5-Difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
Methyl 2-[1-(2-methyl-1H-indol-3-yl)-2-naphthyl]hydrazinecarboxylate
2-(3-Pyridyl)-3-(4-toluenesulfonamido)propylazetidine
2-(1-Iminoethyl)-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile
methyl 5-(4-hydroxyphenyl)-7-methyl-4-oxo-2-sulfanylidene-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
(5E)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
C20H15N3OS (345.09357800000004)
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-trans-6,6A-cis)
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-trans-6,6A-trans)
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-cis-6,6A-cis)
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-cis-6,6A-trans)
1-Methyl-3,4-bis(methoxycarbonyl)-2-trimethylsilyl-5-phenylpyrrole
C18H23NO4Si (345.13962779999997)
UNII:0514MAW53A
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
SCH 58261
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents SCH 58261 is a potent, selective and competitive antagonist of adenosine A2A receptor with an IC50 of 15 nM, and displays 323-, 53- and 100-fold more selective for A2A receptor than A1, A2B, and A3 receptors, respectively[1][2][3].
5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
C17H19N3O3S (345.11470640000005)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents BMS 182874 is an orallyactive, highly selective endothelin receptor (ETA receptor) antagonist, with IC50 value of 0.150 μM, Ki of 0.055 μM. BMS 182874 reduces the arterial pressure of Deoxycorticosterone acetate (HY-B1472) induced hypertension model in rats, and can be used for cardiovascular disease research[1].
WB-4101 HCL
C19H23NO5 (345.15761480000003)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
SPF-32629B
A carboxylic ester obtained by the formal condensation of the benzylic hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid with 3-methylbutanoic acid. It is isolated from the culture broth of Penicillium sp. SPF-32629 and acts as an inhibitor of the enzyme chymase (EC 3.4.21.39).
thiamine(1+) monophosphate
C12H18N4O4PS (345.07863380000003)
A thiamine phosphate that is thiamin(1+) in which the hydroxy group is replaced by a phosphate group.
CGP 25454A
CGP 25454A is a selective presynaptic dopamine autoreceptor antagonist which induces the increase of dopamine and acetyl choline. CGP 25454A can be used for major depression research[1].
N-Methylnuciferine
N-Methylnuciferine, an alkaloid from Lotus Plumule, ameliorate lipopolysaccharide-induced depression-like behavior[1].
PF-06685249
C17H16ClN3O3 (345.08801359999995)
PF-06685249 (PF-249) is a potent and orally active allosteric AMPK activator with an EC50 of 12 nM for recombinant AMPK α1β1γ1. PF-06685249 can be used for diabetic nephropathy research[1].
VU10010
VU10010 is a potent, highly selective and allosteric M4 mAChR potentiator with an EC50 of 400 nM. VU10010 binds to an allosteric site on M4 mAChR and increases affinity for acetylcholine and coupling to G proteins. VU10010 increases carbachol-induced depression of transmission at excitatory but not inhibitory synapses in the hippocampus[1].
Zacopride (hydrochloride)
Zacopride hydrochloride is a highly potent 5-HT3 receptor antagonist with Kis of 0.38 and 373 nM for 5-HT3 and 5-HT4 receptor, respectively. Zacopride hydrochloride is also a moderate IK1 channel agonist. Zacopride hydrochloride exerts significant antiarrhythmic and cardiac protective effects[1][2][3].
8-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6-triene-11,12-dione
C19H23NO5 (345.15761480000003)
(1s,11s,13r,16s,18s)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxy}oxane-3,4,5-triol
(1s,11s,13r,16r,18s)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
1-[5-(3,4-dihydroxyphenyl)-2,4-dihydroxypyridin-3-yl]-2,4-dimethylhexan-1-one
C19H23NO5 (345.15761480000003)
1-hydroxy-2,3,5,6-tetramethoxy-10-methylacridin-9-one
(1r,9s,10s)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-17-ium-17-olate
C19H23NO5 (345.15761480000003)
16-methoxycarbonylnaufoline
{"Ingredient_id": "HBIN001926","Ingredient_name": "16-methoxycarbonylnaufoline","Alias": "NA","Ingredient_formula": "C21H19N3O2","Ingredient_Smile": "COC(=O)C1=CN=CC2=C1C=CC3C4=C(CCN3C2)C5=CC=CC=C5N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13869","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-o-methylangustoline
{"Ingredient_id": "HBIN002206","Ingredient_name": "19-o-methylangustoline","Alias": "NA","Ingredient_formula": "C21H19N3O2","Ingredient_Smile": "CC(C1=C2C=C3C4=C(CCN3C(=O)C2=CN=C1)C5=CC=CC=C5N4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14132","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-o-acetylisopteleflorine
{"Ingredient_id": "HBIN009028","Ingredient_name": "3'-o-acetylisopteleflorine","Alias": "NA","Ingredient_formula": "C18H19NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "442","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,10b- epoxy- phenanthridine
{"Ingredient_id": "HBIN010945","Ingredient_name": "5,10b- epoxy- phenanthridine","Alias": "NA","Ingredient_formula": "C18H19NO6","Ingredient_Smile": "COC1CC2C3(C4C1O4)C(=O)CN2CC5=C(C6=C(C=C35)OCO6)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42862","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-methylpretazettine
C19H23NO5 (345.15761480000003)
{"Ingredient_id": "HBIN012698","Ingredient_name": "6-o-methylpretazettine","Alias": "NA","Ingredient_formula": "C19H23NO5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14679","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-[(13r)-10-methoxy-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-13-yl]propan-2-yl acetate
3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-2h-pyrrolo[1,2-a]pyrazine-1,4-dione
2-{10-methoxy-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-13-yl}propan-2-yl acetate
3,5,13-trimethoxy-10-(methylamino)tricyclo[9.4.0.0²,⁷]pentadeca-1(15),2,4,6,11,13-hexaene-4,14-diol
C19H23NO5 (345.15761480000003)
(5r,9bs,11r)-5-hydroxy-7,8,11-trimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
C19H23NO5 (345.15761480000003)
9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
C19H23NO5 (345.15761480000003)
(1r)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1h-isoquinolin-7-ol
C19H23NO5 (345.15761480000003)
[3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-ylidene](methyl)oxidanium
7-(4-methylpent-3-en-1-yl)-2h,3h,4h-1λ⁶-naphtho[2,3-b][1,4]thiazine-1,1,5,10-tetrone
C18H19NO4S (345.10347340000004)
5-[(1s,3z,4s,5r,8s,9s,13r)-4,9-dimethyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
C19H23NO5 (345.15761480000003)
methyl 4-(2-chloroethyl)-2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3,5-dihydroxy-3-methyl-4h-pyrrole-2-carboxylate
3-(2,3-dimethoxy-5-methylphenyl)-7-methoxyisoindole-1,3,5-triol
(1s,11r,13r,16r,18s)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
19-(1-methoxyethyl)-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1r,8r,10s)-3,8-dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,12-tetraen-11-one
C19H23NO5 (345.15761480000003)
(1r,11r,13s,16r,18r)-18-ethoxy-11-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
(4s,6s,7z,9r,10r,11r)-3,11,14-trihydroxy-4,6,8,10-tetramethyl-17-oxa-2-azatricyclo[7.6.2.0¹²,¹⁶]heptadeca-1(15),2,7,12(16),13-pentaen-5-one
C19H23NO5 (345.15761480000003)
(2e,6e)-2,6-dimethyl-8-(1,4,6-trihydroxy-3-oxoisoindol-5-yl)octa-2,6-dienoic acid
(2e)-3-(4-hydroxy-3,5-dimethoxycyclohexa-2,4-dien-1-yl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
C19H23NO5 (345.15761480000003)
19-[(1r)-1-methoxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
5-acetyl-1-[(6,8-dihydroxy-4-methyl-3-methylidene-1-oxo-4h-2-benzopyran-5-yl)methyl]pyrrolidin-2-one
11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
(1s,14r)-9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3s)-3-hydroxybutanoate
C19H23NO5 (345.15761480000003)
2-(hydroxymethyl)-6-{[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxy}oxane-3,4,5-triol
3,11,14-trihydroxy-4,6,8,10-tetramethyl-17-oxa-2-azatricyclo[7.6.2.0¹²,¹⁶]heptadeca-1(15),2,7,12(16),13-pentaen-5-one
C19H23NO5 (345.15761480000003)
(1s)-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-olate
C19H23NO5 (345.15761480000003)
4,12-dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6,12-tetraene-3,11-diol
C19H23NO5 (345.15761480000003)
(1s,2r)-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-olate
C19H23NO5 (345.15761480000003)
2,6-dimethyl-8-(1,4,6-trihydroxy-3-oxoisoindol-5-yl)octa-2,6-dienoic acid
4,5,6-trimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
C19H23NO5 (345.15761480000003)
(1s,9r,10r)-3,12-dihydroxy-4,11-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
C19H23NO5 (345.15761480000003)
8-(4-methylpent-3-en-1-yl)-2h,3h,4h-1λ⁶-naphtho[2,3-b][1,4]thiazine-1,1,5,10-tetrone
C18H19NO4S (345.10347340000004)
(2r)-6-[(2e,4e)-5-(3-chloro-1h-pyrrol-2-yl)penta-2,4-dien-2-yl]-2,3,3-trimethyl-2h-furo[3,2-c]pyran-4-one
C19H20ClNO3 (345.1131640000001)
(3s,5r,9bs,11r)-5-hydroxy-7,8,11-trimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
C19H23NO5 (345.15761480000003)
5-hydroxy-7,8,11-trimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
C19H23NO5 (345.15761480000003)
6-[(2e,4e)-5-(3-chloro-1h-pyrrol-2-yl)penta-2,4-dien-2-yl]-2,3,3-trimethyl-2h-furo[3,2-c]pyran-4-one
C19H20ClNO3 (345.1131640000001)
3-[(4-imino-2-methyl-3h-pyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
[C12H18N4O4PS]+ (345.07863380000003)
5-[(1s,3z,4s,5r,6r,8s,9s,13r)-4,9-dimethyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
C19H23NO5 (345.15761480000003)
(1s,2s,6s,7r,9s)-9-hydroxy-10-(1-hydroxyhexa-2,4-dien-1-ylidene)-3,7,9-trimethyl-3-azatricyclo[5.2.2.0²,⁶]undecane-4,8,11-trione
C19H23NO5 (345.15761480000003)
(3r)-3-(2,6-dimethoxyphenyl)-6-(hydroxymethyl)-7-methoxy-3h-isoindole-1,4-diol
methyl (2r,3s,4r)-4-(2-chloroethyl)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3,5-dihydroxy-3-methyl-4h-pyrrole-2-carboxylate
2-hydroxy-n-methyl-n-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
C19H23NO5 (345.15761480000003)
(1s,11r,13r,16s,18s)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
1-hydroxy-2,3,6,7-tetramethoxy-10-methylacridin-9-one
(1s,12s,14r)-9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3r)-3-hydroxybutanoate
C19H23NO5 (345.15761480000003)
(2s)-5-carbamimidamido-2-[2-(1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
12-hydroxy-12-[5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]dodeca-2,4,6,8,10-pentaenoic acid
9-hydroxy-14-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(13),7,14,19-tetraen-12-one
n-{4-methoxy-11'-oxo-4',6',12'-trioxaspiro[cyclohexane-1,10'-tricyclo[7.4.0.0³,⁷]tridecane]-1',2,3'(7'),8'-tetraen-6-yl}-n-methylformamide
(3s)-3-(2,6-dimethoxyphenyl)-6-(hydroxymethyl)-7-methoxy-3h-isoindole-1,4-diol
(1r,10s,17s)-4,5,6-trimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
C19H23NO5 (345.15761480000003)
(8s,11r)-11-hydroxy-3,4-dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-12-one
C19H23NO5 (345.15761480000003)
6-[5-(3-chloro-1h-pyrrol-2-yl)penta-2,4-dien-2-yl]-2,3,3-trimethyl-2h-furo[3,2-c]pyran-4-one
C19H20ClNO3 (345.1131640000001)
(4s,6s,7e,9r,10r,11r)-3,11,14-trihydroxy-4,6,8,10-tetramethyl-17-oxa-2-azatricyclo[7.6.2.0¹²,¹⁶]heptadeca-1(15),2,7,12(16),13-pentaen-5-one
C19H23NO5 (345.15761480000003)
(1s)-12-acetyl-3,5,11-trihydroxy-1,4-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaene-6-carboximidic acid
C17H15NO7 (345.08484799999997)
(2s,4s)-1-[5-(3,4-dihydroxyphenyl)-2,4-dihydroxypyridin-3-yl]-2,4-dimethylhexan-1-one
C19H23NO5 (345.15761480000003)
11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
(5r)-5-acetyl-1-{[(4s)-6,8-dihydroxy-4-methyl-3-methylidene-1-oxo-4h-2-benzopyran-5-yl]methyl}pyrrolidin-2-one
(2e,4e,6e,8e,10e)-12-hydroxy-12-[(3e,5s)-5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]dodeca-2,4,6,8,10-pentaenoic acid
(3z)-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-2h-pyrrolo[1,2-a]pyrazine-1,4-dione
5-carbamimidamido-2-[2-(1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
2,4-dihydroxy-6-{[(3-methylbutanoyl)oxy](phenyl)methyl}pyridine-3-carboxylic acid
(1r,8s,10s)-8-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6-triene-11,12-dione
C19H23NO5 (345.15761480000003)
3-(4-hydroxy-3,5-dimethoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]propanimidic acid
C19H23NO5 (345.15761480000003)
10-(3-hydroxy-3-methylbutyl)-8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol
(1r)-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-olate
C19H23NO5 (345.15761480000003)
(1s,11r,13r,16s,18s)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)
(1r,9s,10s,17r)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-17-ium-17-olate
C19H23NO5 (345.15761480000003)
(1r,8s,10s,11r)-4,12-dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6,12-tetraene-3,11-diol
C19H23NO5 (345.15761480000003)
n-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzenecarboximidic acid
C19H23NO5 (345.15761480000003)
3,8-dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,12-tetraen-11-one
C19H23NO5 (345.15761480000003)
9-hydroxy-10-(1-hydroxyhexa-2,4-dien-1-ylidene)-3,7,9-trimethyl-3-azatricyclo[5.2.2.0²,⁶]undecane-4,8,11-trione
C19H23NO5 (345.15761480000003)
(1r,11r,13s,16r,18r)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
C19H23NO5 (345.15761480000003)