Exact Mass: 365.127654
Exact Mass Matches: 365.127654
Found 500 metabolites which its exact mass value is equals to given mass value 365.127654,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amoxicillin
C16H19N3O5S (365.10453640000003)
Amoxicillin (International Nonproprietary Name), or amoxycillin (British Approved Name), is a moderate-spectrum, bacteriolytic, -lactam antibiotic used to treat bacterial infections caused by susceptible microorganisms. It is a broad-spectrum semisynthetic antibiotic similar to ampicillin except that its resistance to gastric acid permits higher serum levels with oral administration (PubChem). Amoxicillin is active against a wide range of Gram-positive and a limited range of Gram-negative organisms. It is susceptible to degradation by beta-lactamase-producing bacteria, and so may be given with clavulanic acid to increase its susceptibility. The incidence of beta-lactamase-producing resistant organisms, including E. coli, appears to be increasing. Amoxicillin binds to penicillin-binding protein 1A (PBP-1A) located inside the bacterial cell wall. Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that amoxicillin interferes with an autolysin inhibitor. Amoxicillin is usually the drug of choice within the class because it is better absorbed, following oral administration, than other -lactam antibiotics. Amoxicillin in trihydrate form is available as capsules, chewable and dispersible tablets, syrup and pediatric suspension for oral use, and as the sodium salt for intravenous administration. It is one of the most common antibiotics prescribed for children, and the liquid forms are helpful in cases where the patient might find it difficult to take tablets or capsules. It has three ionizable groups. Amoxicillin as a once-daily dosing form (Moxatag) was approved by the American FDA in January 2008. Amoxicillin is one of the semi-synthetic penicillins discovered by Beecham scientists. The patent for amoxicillin has expired, thus amoxicillin is marketed under many trade names, including Actimoxi, Alphamox, AMK, Amoksibos, Amoxiclav Sandoz, Amoxidal, Amoxil, Amoxin, Amoksiklav, Amoxibiotic, Amoxicilina, Apo-Amoxi, Augmentin, Bactox, Betalaktam, Cilamox, Curam, Dedoxil, Dispermox, Duomox, E-Mox (250mg and 500 mg), Enhancin, Gimalxina, Geramox, Hiconcil, Isimoxin, Klavox, Lamoxy, Moxatag, Moxilen, Moxypen, Moxyvit, Nobactam, Novamoxin, Ospamox, Panklav, Pamoxicillin, Panamox, Polymox, Samthongcillin, Clamoxyl, Senox, Sinacilin, Trimox, Tolodina, Wymox, Yucla, Zerrsox, and Zimox. Amoxicillin is found in milk and milk products. It is a potential contaminant in cows milk arising from its veterinary use. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-Methylpretetramide
C20H15NO6 (365.08993300000003)
A member of the class of pretetramides in which the only additional substituent is a methyl group at position 6.
Trimethaphan
Trimethaphan is only found in individuals that have used or taken this drug. It is a nicotinic antagonist that has been used as a ganglionic blocker in hypertension, as an adjunct to anesthesia, and to induce hypotension during surgery. [PubChem]Trimethaphan is a ganglionic blocking agent prevents stimulation of postsynaptic receptors by competing with acetylcholine for these receptor sites. Additional effects may include direct peripheral vasodilation and release of histamine. Trimethaphans hypotensive effect is due to reduction in sympathetic tone and vasodilation, and is primarily postural. C - Cardiovascular system > C02 - Antihypertensives > C02B - Antiadrenergic agents, ganglion-blocking > C02BA - Sulfonium derivatives C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005730 - Ganglionic Blockers D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002491 - Central Nervous System Agents
Cefroxadine
C16H19N3O5S (365.10453640000003)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01528
Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-4-(2-(difluoromethoxy)phenyl)-2-methyl-5-oxo-, ethyl ester
C18H17F2NO5 (365.10747360000005)
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
2-S-glutathionyl acetate
2-S-glutathionyl acetate is also known as S-(Carboxymethyl)glutathione. 2-S-glutathionyl acetate is considered to be slightly soluble (in water) and acidic
Ondansetron hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D003879 - Dermatologic Agents > D000982 - Antipruritics D002491 - Central Nervous System Agents
Cephalexin monohydrate
C16H19N3O5S (365.10453640000003)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Propericiazine
C21H23N3OS (365.15617480000003)
Propericiazine is a phenothiazine of the piperidine group. It has been shown to reduce pathologic arousal and affective tension in some psychotic patients, while the symptoms of abnormal mental integration are relatively unaffected. It is a sedative phenothiazine with weak antipsychotic properties. It also has adrenolytic, anticholinergic, metabolic and endocrine effects and an action on the extrapyramidal system. It is used as an adjunctive medication in some psychotic patients, for the control of residual prevailing hostility, impulsiveness and aggressiveness. Pericyazine, like other phenothiazines, is presumed to act principally in the subcortical areas, by producing what has been described as a central adrenergic blockade. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AC - Phenothiazines with piperidine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Pericyazine (Propericiazine) is a first-generation antipsychotic agent that is used as an adjunct to the short-term management of severe anxiety states and psychosis[1]. Pericyazine is a selective D2-dopamine receptor antagonist[2][3]. Pericyazine has adrenolytic, anticholinergic, and extrapyramidal effects[4].
Brevianamide B
Brevianamide A is a mycotoxin from Penicillium brevi-compactum and some other Penicillium specie
4beta-(2-Aminoethylthio)catechin
4beta-(2-Aminoethylthio)epicatechin is found in alcoholic beverages. 4beta-(2-Aminoethylthio)epicatechin is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). 4beta-(2-Aminoethylthio)catechin is found in alcoholic beverages and fruits.
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl- D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087) [HMDB] 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl- D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087).
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087) [HMDB] 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087).
Isopentenyladenine-9-N-glucoside
Isopentenyladenine-9-N-glucoside belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Isopentenyladenine-9-N-glucoside is a strong basic compound (based on its pKa). Isopentenyladenine-9-N-glucoside is produced when isopentenyladenine and UDP-D-glucose react, with UDP as a byproduct. The reaction is catalyzed by UDP glycosyltransferases. Isopentenyladenine-9-N-glucoside is produced when isopentenyladenine and UDP-D-glucose react, with UDP as a byproduct. The reaction is catalyzed by UDP glycosyltransferases. [HMDB]
Nequinate
C22H23NO4 (365.16269980000004)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent Antiprotozoan; used as a coccidiostat for poultry and rabbit
Hydromorphone-3-sulphate
Hydromorphone-3-sulphate is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
UK-121,265
UK-121,265 is a metabolite of voriconazole. Voriconazole is a triazole antifungal medication that is generally used to treat serious, invasive fungal infections. These are generally seen in patients who are immunocompromised, and include invasive candidiasis, invasive aspergillosis, and certain emerging fungal infections. (Wikipedia)
4-Hydroxyvoriconazole
4-Hydroxyvoriconazole is a metabolite of voriconazole. Voriconazole is a triazole antifungal medication that is generally used to treat serious, invasive fungal infections. These are generally seen in patients who are immunocompromised, and include invasive candidiasis, invasive aspergillosis, and certain emerging fungal infections. (Wikipedia)
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
C16H19N3O5S (365.10453640000003)
Potential contaminant in cows milk arising from its veterinary use
Ampicilloyl
C17H23N3O4S (365.14091980000006)
4-Carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate
C21H19NO3S (365.1085584000001)
cefroxadine
C16H19N3O5S (365.10453640000003)
Same as: D01528
Clinafloxacin
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 D004791 - Enzyme Inhibitors
Morphine 3-Sulfate
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, 3-(hydrogen sulfate)
Riddelliine N-oxide
Timegadine
C20H23N5S (365.16740780000003)
cucoline
C19H24ClNO4 (365.13937740000006)
Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2].
cucoline
C19H23NO4.HCl (365.13937740000006)
Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2].
Chlorodesnkolbisine
C18H20ClNO5 (365.1029940000001)
7-(2-Hydroxy-3-chloroprenyloxy)-4,8-dimethoxyfuroquinoline
C18H20ClNO5 (365.1029940000001)
Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-
C20H15NO6 (365.08993300000003)
Ethyl 2-({2-cyano-3-[(ethoxycarbonyl)amino]-3-oxoprop-1-enyl}amino)-4,5-dimethylthiophene-3-carboxylate
C16H19N3O5S (365.10453640000003)
L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-L-cysteinyl-glycine
This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.
Erucifoline N-oxide
A pyrrolizine alkaloid that is erucifoline in which the tertiary amino function has been oxidised to the corresponding N-oxide. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2256
1-methylzeatine riboside|6-(4-hydroxy-1,3-dimethylbut-trans-2-enylamino)-9-beta-D-ribofuranosylpurine
9-Hydroxy-5,8,9-trimethyl-2,7,11-trioxa-16-azatetracyclo[11.5.1.04,8.016,19]nonadec-13-ene-3,6,10-trione
4,8-Dimethoxy-7-(2-hydroxy-3-methyl-3-chlorobutyloxy)furo[2,3-b]quinoline
C18H20ClNO5 (365.1029940000001)
2-amino-5,8,5-trihydroxy-2,3,4-pentahydro-[4,3]-binaphthalene-1,1,4-trione
C20H15NO6 (365.08993300000003)
6-Methoxy-7-hydroxydihydrochelerythrine
C21H19NO5 (365.12631640000006)
6-(5-Acetyl-1,3-benzodioxole-4-ylmethyl)-1,3-dioxolo[4,5-g]isoquinoline-5(6H)-one
C20H15NO6 (365.08993300000003)
(3Z)-8a-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione|brevianamide Q
lavendustin b
C21H19NO5 (365.12631640000006)
Lavendustin B is an inhibitor of HIV-1 integrase interaction with LEDGF/p75 with an IC50 of 94.07 μM. Lavendustin B is an ATP-competitive GLUT1 inhibitor with a Ki of 15 μM. Lavendustin B is also a weak inhibitor of tyrosine kinases[1][2].
4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline-4,5(6H)-dione,1,2-dimethoxy-6-methyl-
C20H15NO6 (365.08993300000003)
(E)-1-(L-cysteinylglycin-S-yl)-N-hydroxy-omega-(methylsulfanyl)octan-1-imine
Amoxicillin
C16H19N3O5S (365.10453640000003)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Constituent of Panax notoginseng (sanchi). Notoginsenoside J is found in tea. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LSQZJLSUYDQPKJ-NJBDSQKTSA-N_Amoxicillin_STSL_0201_Amoxicillin Trihydrate_2000fmol_180831_S2_L02M02_41; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3083
Isopentenyl-Adenine-9-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Isopentenyl-Adenine-7-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
isopentenyl-Adenine-7-glucoside-[d6]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
isopentenyl-Adenine-9-glucoside-[d6]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Periciazine
C21H23N3OS (365.15617480000003)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AC - Phenothiazines with piperidine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Pericyazine (Propericiazine) is a first-generation antipsychotic agent that is used as an adjunct to the short-term management of severe anxiety states and psychosis[1]. Pericyazine is a selective D2-dopamine receptor antagonist[2][3]. Pericyazine has adrenolytic, anticholinergic, and extrapyramidal effects[4].
(S)-3-((6-hydroxy-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)methyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
JWH 250 N-(5-carboxyxypentyl) metabolite
C22H23NO4 (365.16269980000004)
Brevianamide B
Statyl
C22H23NO4 (365.16269980000004)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
4b-(2-Aminoethylthio)catechin
6-([1,4]BIPIPERIDINYL-1-SULFONYL)-BENZOTRIAZOL-1-OL
C16H23N5O3S (365.15215280000007)
1-BOC-2-CHLORO-3-(2-ETHOXYCARBONYL-ACETYL)-INDOLE
C18H20ClNO5 (365.1029940000001)
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine
C19H24ClNO4 (365.13937740000006)
2-Propanol, 1-((6-methoxy-9H-pyrido(3,4-b)indol-4-yl)oxy)-3-((1-methyl ethyl)amino)-, hydrochloride
Basic Violet 2
C22H24ClN3 (365.16586540000003)
D004396 - Coloring Agents > D012394 - Rosaniline Dyes
2-(4-BOC-PIPERAZINYL)-2-(3-NITRO-PHENYL)ACETIC ACID
2-acetamido-2-deoxy-alpha-D-glucopyranosyl chloride 3,4,6-triacetate
Timegadine
C20H23N5S (365.16740780000003)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Prexasertib
C18H19N7O2 (365.16001539999996)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
1H-Indole,1-methyl-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-(9CI)
C20H19N3O4 (365.13754940000007)
Urea, N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]-N-(2-fluorophenyl)- (9CI)
CGP 53353
C20H13F2N3O2 (365.09757820000004)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Micafungin Side Chain Methyl Ester
C22H23NO4 (365.16269980000004)
2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate
C14H20BF4N3O3 (365.15337680000005)
3-[(4-Chlorophenyl)thio]-1-(diphenylmethyl)azetidine
C22H20ClNS (365.1004910000001)
(1R,2S)-2-[N-BENZYL-N-(MESITYLENESULFONYL)AMINO]-1-PHENYL-1-PROPANOL
C22H23NO4 (365.16269980000004)
(1S,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
C22H23NO4 (365.16269980000004)
(1S,2R)-2-[N-BENZYL-N-(MESITYLENESULFONYL)AMINO]-1-PHENYL-1-PROPANOL
C22H23NO4 (365.16269980000004)
(S,E)-1-phenyl-N-(4-(trifluoromethyl)benzylidene)-2-(trimethylsilyloxy)ethanamine
Cloperastine hydrochloride
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate
C18H20ClNO3S (365.0852360000001)
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetic acid
C22H23NO4 (365.16269980000004)
1-butyl-2,3,3-trimethylbenzo[e]indol-3-ium,perchlorate
C19H24ClNO4 (365.13937740000006)
1-(1-ANTHRACENYLMETHYL)-4-(3-METHOXYPHENYL)-1H-[1,2,3]TRIAZOLE
C24H19N3O (365.15280440000004)
[10-[(4-phenyltriazol-1-yl)methyl]anthracen-9-yl]methanol
C24H19N3O (365.15280440000004)
3-(TRIFLUOROMETHYL)[1,1-BIPHENYL]-4-SULFONYLCHLORIDE
4-N-MALEIMIDOMETHYLCYCLOHEXANE-1-CARBOXYLHYDRAZIDE
(1R,2R)-FMOC-2-AMINOCYCLOHEXANE CARBOXYLIC ACID
C22H23NO4 (365.16269980000004)
1-(4-[PHENYLAZO]PHENYLAZO)-2-METHYLAMINONAPHTHALENE
Paroxetine HCl
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
Benzenesulfonic acid,3-[2-[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-4-hydroxy-
C16H19N3O5S (365.10453640000003)
4-[(3-Methyl-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piper idinecarboxamide
C21H23N3OS (365.15617480000003)
5-tritylpyridine-2-carboxylic acid
C25H19NO2 (365.14157140000003)
2-(4-BOC-PIPERAZINYL)-2-(2-NITRO-PHENYL)ACETIC ACID
1-(Fmoc-amino)cyclohexanecarboxylic acid
C22H23NO4 (365.16269980000004)
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol methanesulfonate
1-[2-[(S)-(4-Chlorophenyl)phenylmethoxy]ethyl]piperidine hydrochloride
(S)-(-)-1-Fmoc-4-oxopiperidine-2-carboxylic acid
C21H19NO5 (365.12631640000006)
(R)-(+)-1-Fmoc-4-oxopiperidine-2-carboxylic acid
C21H19NO5 (365.12631640000006)
(2R,4S)-4-([1,1-Biphenyl]-4-ylmethyl)-2-methyl-4-(2,5-dioxopyrrolidin-1-yl)butanoic acid
C22H23NO4 (365.16269980000004)
3-fmoc-amino-cyclohexanecarboxylic acid
C22H23NO4 (365.16269980000004)
(1S,2R)-FMOC-2-AMINOCYCLOHEXANE CARBOXYLIC ACID
C22H23NO4 (365.16269980000004)
2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester
(R)-2-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidin-2-yl)
C22H23NO4 (365.16269980000004)
(R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-cyclobutyl
C22H23NO4 (365.16269980000004)
5,6-bis[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazine-3-thione
C20H23N5S (365.16740780000003)
4-[(3-Ethynylphenyl)amino]-6,7-bis(2-hydroxyethoxy)quinazoline
C20H19N3O4 (365.13754940000007)
(S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-1,2,3,4-tetrahydroisoquinoline
1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-
JNJ-1661010 (Takeda-25) a potent and selective fatty acid amide hydrolase (FAAH) inhibitor with IC50s of 34 and 33 nM for rat FAAH and human FAAH, respectively. JNJ-1661010 can cross the blood-brain barrier and used as broad-spectrum analgesics[1][2].
3,3-Diethylthiacarbocyanine
D004396 - Coloring Agents > D002232 - Carbocyanines
Riddelliine N-oxide
A pyrrolizine alkaloid that is 13,19-didehydrosenecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent.
4-(4-Methylphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine
C21H19NO3S (365.1085584000001)
4-[(E)-(5-Piperidin-1-ylfuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1-cyclopropane]-3,5-dione
methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
N-(2-furanylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]acetamide
JWH 250 N-pentanoic acid metabolite
C22H23NO4 (365.16269980000004)
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide
C20H19N3O2S (365.11979140000005)
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-YL-1H-pyrazole-3-carboxamide
2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
C19H19N5O3 (365.14878239999996)
5-Chloro-1H-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
3-({[(3s)-3,4-Dihydroxybutyl]oxy}amino)-1h,2h-2,3-Biindol-2-One
C20H19N3O4 (365.13754940000007)
(2z,3e)-2,3-Biindole-2,3(1h,1h)-Dione 3-{o-[(3r)-3,4-Dihydroxybutyl]oxime}
C20H19N3O4 (365.13754940000007)
3-cyclohexyl-N-{3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}propanamide
N-benzyl-2-methylsulfonyl-N-phenylbenzamide
C21H19NO3S (365.1085584000001)
(2S,5R,6R)-6-[[(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
C16H19N3O5S (365.10453640000003)
7-(alpha-D-glucosyl)-N(6)-isopentenyladenine
A glucosyl-N(6)-isopentenyladenine in which the glucosyl moiety is in the pyranose form, has alpha-D-configuration and is located at position N-7.
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
(2S,9S)-10,10-dimethylspiro[1H-indole-2,11-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,3,14-trione
2-[[(2R)-2-amino-3-[(E)-N-hydroxy-C-(7-methylsulfanylheptyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid
2-[1-[(2-Amino-2-phenylacetyl)amino]-2-oxopropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
C17H23N3O4S (365.14091980000006)
(4E)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
Cathestatin B
A carboxamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-tyrosinamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease.
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
C18H20ClNO5 (365.1029940000001)
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-pyridinecarboxamide
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
C20H19N3O4 (365.13754940000007)
N-(2-aminophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamide
4-(4-Ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester
C20H19N3O4 (365.13754940000007)
3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-b]pyridine
2-[(1-Methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone
C21H23N3OS (365.15617480000003)
N-(2-furanylmethyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide
C19H15N3O3S (365.0834080000001)
3-[[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]methyl]-1,2,3-benzotriazin-4-one
C17H15N7OS (365.10587400000003)
(2R,4S)-2-(3-((phenylcarbamoyl)methylcarbamoyl)propyl)-4-aminopentanedioic acid
N-(4-acetamidophenyl)-4-(1,3-dioxo-2-isoindolyl)butanamide
C20H19N3O4 (365.13754940000007)
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methylphenoxy)propanamide
5-(4-fluorophenyl)-N-[2-(1-piperidinyl)phenyl]-4-oxazolecarboxamide
2-[[3-Acetyl-1-[4-(dimethylamino)phenyl]-2-methyl-5-indolyl]oxy]acetamide
1-[1-[(4-Fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(phenylmethyl)urea
[[4-(Dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-fluorophenyl)methanol
C19H25FNO3P (365.15560020000004)
1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide
C20H19N3O2S (365.11979140000005)
4-hydroxy-2-oxo-1-pentyl-N-(pyridin-2-ylmethyl)-1,2-dihydroquinoline-3-carboxamide
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
[1-[(1-Ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
2-[6-(4-Chloro-phenyl)-1-methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetamide
jacozine N-oxide
A pyrrolizine alkaloid that is jacozine in which the tertiary amino function has been oxidised to the corresponding N-oxide.
(2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2R,3S,4S)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile
C21H23N3OS (365.15617480000003)
(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2R,3S,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2S,3R,4R)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile
C21H23N3OS (365.15617480000003)
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2R,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(1S,9R,10R,11R)-11-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-10-(hydroxymethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
(2S,3S,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2S,3S,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(4-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H23N3OS (365.15617480000003)
(2R,3R,3aS,9bS)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
[(1S)-7-methoxy-2-methyl-1-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C17H23N3O4S (365.14091980000006)
beta-D-Tyvp-(1->3)-beta-D-GalpNAc-OMe
C15H27NO9 (365.16857319999997)
N-[4-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
C18H15N5O4 (365.11239900000004)
Ethyl 2-methyl-4,5-dioxo-1-phenyl-3-phenyldiazenylpyrrolidine-2-carboxylate
C20H19N3O4 (365.13754940000007)
(5R,7S,9Z,12R,15R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-15-oxido-3,6,11-trioxa-15-azoniatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
1,1-Dimethyl-4-trimethylsilyl-5-phenyl-3-(o-tolyl)-1,3-disila-4-cyclopentene
TRIMETHAPHAN
C - Cardiovascular system > C02 - Antihypertensives > C02B - Antiadrenergic agents, ganglion-blocking > C02BA - Sulfonium derivatives C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005730 - Ganglionic Blockers D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002491 - Central Nervous System Agents
1,3,10,11,12-Pentahydroxy-6-methyltetracene-2-carboxamide
C20H15NO6 (365.08993300000003)
Clinafloxacin
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 D004791 - Enzyme Inhibitors
Nequinate
C22H23NO4 (365.16269980000004)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Arecaidine but-2-ynyl ester (tosylate)
Arecaidine but-2-ynyl ester tosylate (ABET) is a selective mAChR M2 agonist that dose-dependently decreases mean arterial pressure and heart rate in rats. Arecaidine but-2-ynyl ester tosylate can be used for cardiovascular disease research[1][2]. Arecaidine but-2-ynyl ester (tosylate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
9-hydroxy-5,8,9-trimethyl-2,7,11-trioxa-16-azatetracyclo[11.5.1.0⁴,⁸.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione
5-benzyl-7,10-dihydroxy-2-oxa-3,6,17-triazatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-6,11,13,15-tetraen-4-one
C20H19N3O4 (365.13754940000007)
17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,12(20),13,15,17-octaen-11-one
C20H15NO6 (365.08993300000003)
(20r,21s)-5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-10,21-diol
C22H23NO4 (365.16269980000004)
8-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-2,6-dimethylocta-2,5-dien-4-one
C22H23NO4 (365.16269980000004)
methyl 5-{3-hydroxy-9-oxo-1h,2h-pyrrolo[2,1-b]quinazolin-3-yl}-2-(methylamino)benzoate
C20H19N3O4 (365.13754940000007)
5-(6-aminopurin-9-yl)-2-(carboxymethyl)-6-hydroxy-tetrahydro-3h-furo[3,2-b]furan-2-carboxylic acid
5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-10,21-diol
C22H23NO4 (365.16269980000004)
12-[2-(dimethylamino)ethyl]-14-methoxy-3,5,16-trioxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),9,11,13,15(19)-heptaen-17-one
C21H19NO5 (365.12631640000006)
5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-6,10-diol
C22H23NO4 (365.16269980000004)
(1r,14s,24r)-24,25-dimethyl-5,7,13,17,19-pentaoxa-25-azaheptacyclo[12.10.1.0²,¹⁰.0⁴,⁸.0¹²,²⁴.0¹⁵,²³.0¹⁶,²⁰]pentacosa-2,4(8),9,15,20,22-hexaene
C21H19NO5 (365.12631640000006)
11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-yl acetate
C21H19NO5 (365.12631640000006)
(2s,3s,4r,5s,6r)-2-(hydroxymethyl)-6-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxane-3,4,5-triol
7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,10,12(20),14(19),15,17-octaen-13-one
C20H15NO6 (365.08993300000003)
(12r,13s)-11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-yl acetate
C21H19NO5 (365.12631640000006)
(7s)-6',7'-dimethoxy-2'-methyl-6-methylidene-2,3',4',8-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinoline]
C22H23NO4 (365.16269980000004)
7-demethyl-6-methoxy-5,6-dihydrochelerythrine
C21H19NO5 (365.12631640000006)
{"Ingredient_id": "HBIN013156","Ingredient_name": "7-demethyl-6-methoxy-5,6-dihydrochelerythrine","Alias": "NA","Ingredient_formula": "C21H19NO5","Ingredient_Smile": "NA","Ingredient_weight": "365.38","OB_score": "30.74255792","CAS_id": "126234-22-8","SymMap_id": "SMIT06894","TCMID_id": "NA","TCMSP_id": "MOL005084","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-oxobaicaline
C20H15NO6 (365.08993300000003)
{"Ingredient_id": "HBIN013428","Ingredient_name": "7-oxobaicaline","Alias": "NA","Ingredient_formula": "C20H15NO6","Ingredient_Smile": "NA","Ingredient_weight": "365.34","OB_score": "36.09358329","CAS_id": "105418-66-4","SymMap_id": "SMIT10028","TCMID_id": "NA","TCMSP_id": "MOL008805","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(20s,21s)-10,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,21-diol
C22H23NO4 (365.16269980000004)
(2r,3r,4s,5r)-2-(6-{[(2r,3e)-5-hydroxy-4-methylpent-3-en-2-yl]amino}purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
(5e)-8-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-2,6-dimethylocta-2,5-dien-4-one
C22H23NO4 (365.16269980000004)
8-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-2,6-dimethylocta-2,6-dien-4-one
C22H23NO4 (365.16269980000004)
(2e,4e,6e)-7-{10-[(1e,3e)-4-(c-hydroxycarbonimidoyl)buta-1,3-dien-1-yl]-3-oxatricyclo[5.3.1.0⁴,¹¹]undeca-5,8-dien-2-yl}hepta-2,4,6-trienoic acid
C22H23NO4 (365.16269980000004)
2,16,17-trimethoxy-4,6-dioxa-11-azapentacyclo[10.7.1.0³,⁷.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,3(7),8,10,12(20),14(19),15,17-octaen-13-one
C20H15NO6 (365.08993300000003)
7,15,16-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
C20H15NO6 (365.08993300000003)
(20s,21r)-5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-10,21-diol
C22H23NO4 (365.16269980000004)
[(9bs,11r)-7-hydroxy-11-methoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-yl]oxidanesulfonic acid
(20s)-5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-6,10-diol
C22H23NO4 (365.16269980000004)
(5z)-8-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-2,6-dimethylocta-2,5-dien-4-one
C22H23NO4 (365.16269980000004)
n-[(1e)-1,15,15-trichloropentadec-1-en-3-yn-8-yl]ethanimidic acid
C17H26Cl3NO (365.10798760000006)
6-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
C22H23NO4 (365.16269980000004)
4-benzyl-6-hydroxy-4-methoxy-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1(10),2,5,11,13-pentaen-9-one
C20H19N3O4 (365.13754940000007)
(4r,7r)-4-benzyl-6-hydroxy-4-methoxy-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1(10),2,5,11,13-pentaen-9-one
C20H19N3O4 (365.13754940000007)
(1r,4z,7s,17r)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methylidene-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-en-14-ium-14-olate
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl pyridine-3-carboxylate
C21H19NO5 (365.12631640000006)
(5r,7s,9z,12r,18r)-9-ethylidene-7-(hydroxymethyl)-5-methyl-4,10-dioxo-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-en-15-ium-15-olate
(1r,20r)-4-hydroxy-5,10-dimethyl-2,6,9,12-tetraoxa-17-azapentacyclo[12.5.1.1⁴,⁸.0⁸,¹⁰.0¹⁷,²⁰]henicos-14-ene-3,11-dione
7-hydroxy-5-methoxy-8-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one
C22H23NO4 (365.16269980000004)
(1'r,3s,6's,7'r,17'r)-7'-hydroxy-3,7'-dimethyldispiro[oxirane-2,4'-[2,9]dioxa-[14]azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-6',2''-oxiran]-11'-ene-3',8'-dione
(2s,3s)-3-{[(1s)-1-[(4-aminobutyl)-c-hydroxycarbonimidoyl]-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid
3-({1-[(4-aminobutyl)-c-hydroxycarbonimidoyl]-2-(4-hydroxyphenyl)ethyl}-c-hydroxycarbonimidoyl)oxirane-2-carboxylic acid
10,11-dihydroxy-2-(2-hydroxyethyl)-1-methyl-2-azatetracene-3,5,12-trione
C20H15NO6 (365.08993300000003)
(1s,12r,14r,24s)-24,25-dimethyl-5,7,13,17,19-pentaoxa-25-azaheptacyclo[12.10.1.0²,¹⁰.0⁴,⁸.0¹²,²⁴.0¹⁵,²³.0¹⁶,²⁰]pentacosa-2,4(8),9,15(23),16(20),21-hexaene
C21H19NO5 (365.12631640000006)
(3s,6s)-3-[(2ar)-2ah,3h-[1,2]dioxeto[3,4-b]indol-7b-ylmethyl]-6-benzyl-3,6-dihydropyrazine-2,5-diol
C20H19N3O4 (365.13754940000007)
5,16-dihydroxy-4,17-dimethoxy-11-azapentacyclo[9.6.2.0²,⁷.0⁸,¹⁹.0¹⁴,¹⁸]nonadeca-1(18),2(7),3,5,8(19),14,16-heptaene-9,10-dione
C20H15NO6 (365.08993300000003)
(1r,5s,8s,10s)-5-benzyl-7,10-dihydroxy-2-oxa-3,6,17-triazatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-6,11,13,15-tetraen-4-one
C20H19N3O4 (365.13754940000007)
(1r,12s,14s,24r)-24,25-dimethyl-5,7,13,17,19-pentaoxa-25-azaheptacyclo[12.10.1.0²,¹⁰.0⁴,⁸.0¹²,²⁴.0¹⁵,²³.0¹⁶,²⁰]pentacosa-2,4(8),9,15,20,22-hexaene
C21H19NO5 (365.12631640000006)
(2r)-3-chloro-1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutan-2-ol
C18H20ClNO5 (365.1029940000001)
10,12-dihydroxy-2-(2-hydroxyethyl)-1-methyl-2-azatetracene-3,6,11-trione
C20H15NO6 (365.08993300000003)
17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-ol
C21H19NO5 (365.12631640000006)
6',7'-dimethoxy-2'-methyl-6-methylidene-2,3',4',8-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinoline]
C22H23NO4 (365.16269980000004)
12'-methyl-3,4',6',10,12-pentaoxa-12'-azaspiro[tricyclo[7.3.0.0²,⁶]dodecane-5,11'-tricyclo[7.5.0.0³,⁷]tetradecane]-1(9),1',2(6),3'(7'),7,8',13'-heptaen-10'-one
C20H15NO6 (365.08993300000003)
(3s,6s)-3-(hydroxymethyl)-6-(1h-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
3-methoxy-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1,3,8,10,12,14(22),15,17(21)-octaen-12-ol
C20H15NO6 (365.08993300000003)
(20s)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-ol
C21H19NO5 (365.12631640000006)
(2s,5r,6r)-6-{[(2r)-2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H19N3O5S (365.10453640000003)
2-{[2-({2-amino-1-hydroxy-4-[hydroxy(methyl)phosphoryl]butylidene}amino)-1-hydroxypropylidene]amino}-4-methylpentanoic acid
(6e)-8-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-2,6-dimethylocta-2,6-dien-4-one
C22H23NO4 (365.16269980000004)
(2s,5r,6r)-6-{[(2s)-2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H19N3O5S (365.10453640000003)
7-[10-(4-carbamoylbuta-1,3-dien-1-yl)-3-oxatricyclo[5.3.1.0⁴,¹¹]undeca-5,8-dien-2-yl]hepta-2,4,6-trienoic acid
C22H23NO4 (365.16269980000004)
(20s)-6,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,10-diol
C22H23NO4 (365.16269980000004)
(5r)-12'-methyl-3,4',6',10,12-pentaoxa-12'-azaspiro[tricyclo[7.3.0.0²,⁶]dodecane-5,11'-tricyclo[7.5.0.0³,⁷]tetradecane]-1(9),1',2(6),3'(7'),7,8',13'-heptaen-10'-one
C20H15NO6 (365.08993300000003)
10,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,21-diol
C22H23NO4 (365.16269980000004)
6-{[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H19N3O5S (365.10453640000003)
1-benzyl-3,10-dihydroxy-1-methoxy-4-methyl-4h-pyrazino[2,1-b]quinazolin-6-one
C20H19N3O4 (365.13754940000007)
18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2(10),3,8,11,16,18-heptaene-14,15-dione
C20H15NO6 (365.08993300000003)
15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene-9,10-dione
C20H15NO6 (365.08993300000003)
2-{6-[(5-hydroxy-4-methylpent-3-en-2-yl)amino]purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol
(2s)-2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl pyridine-3-carboxylate
C21H19NO5 (365.12631640000006)
(20s,21s)-5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-10,21-diol
C22H23NO4 (365.16269980000004)
(2r,3s,4s)-4-[(2-aminoethyl)sulfanyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(1r,4r,5r,8s,9s,19r)-9-hydroxy-5,8,9-trimethyl-2,7,11-trioxa-16-azatetracyclo[11.5.1.0⁴,⁸.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione
(1s,20s)-4-hydroxy-5,10-dimethyl-2,6,9,12-tetraoxa-17-azapentacyclo[12.5.1.1⁴,⁸.0⁸,¹⁰.0¹⁷,²⁰]henicos-14-ene-3,11-dione
(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-[hydroxy(methyl)phosphoryl]butylidene]amino}-1-hydroxypropylidene]amino}-4-methylpentanoic acid
4,5-bis(2h-1,3-benzodioxol-5-ylmethyl)-1-methyl-3h-imidazol-2-imine
C20H19N3O4 (365.13754940000007)
(2s)-3-chloro-1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutan-2-ol
C18H20ClNO5 (365.1029940000001)
3-chloro-1-({4,7-dimethoxyfuro[2,3-b]quinolin-6-yl}oxy)-3-methylbutan-2-ol
C18H20ClNO5 (365.1029940000001)
n-[6-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C20H15NO6 (365.08993300000003)
24,25-dimethyl-5,7,13,17,19-pentaoxa-25-azaheptacyclo[12.10.1.0²,¹⁰.0⁴,⁸.0¹²,²⁴.0¹⁵,²³.0¹⁶,²⁰]pentacosa-2,4(8),9,15,20,22-hexaene
C21H19NO5 (365.12631640000006)
7,16,18-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
C20H15NO6 (365.08993300000003)
(4s,7r)-4-benzyl-6-hydroxy-4-methoxy-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1(10),2,5,11,13-pentaen-9-one
C20H19N3O4 (365.13754940000007)
3-hydroxy-4,5-dimethoxy-6-[2-(4-oxopentyl)-1,3-thiazol-4-yl]pyridine-2-carboximidic acid
C16H19N3O5S (365.10453640000003)
10,11-dimethoxy-2,3,6,7-tetrahydro-1,4-dioxa-8-azapentaphen-9-one
C21H19NO5 (365.12631640000006)
3-(hydroxymethyl)-6-(1h-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
(2s)-3-chloro-1-({4,7-dimethoxyfuro[2,3-b]quinolin-6-yl}oxy)-3-methylbutan-2-ol
C18H20ClNO5 (365.1029940000001)
5-(1,3-dihydroxy-4-methoxyisoindol-1-yl)-6-hydroxy-2-methylnaphthalene-1,4-dione
C20H15NO6 (365.08993300000003)
(1r,3r,5s,6r)-6-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
C22H23NO4 (365.16269980000004)
(1s,4r)-1-benzyl-3,10-dihydroxy-1-methoxy-4-methyl-4h-pyrazino[2,1-b]quinazolin-6-one
C20H19N3O4 (365.13754940000007)
(2r,3r,4s)-4-[(2-aminoethyl)sulfanyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(12s,13r)-11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-yl acetate
C21H19NO5 (365.12631640000006)
6,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,10-diol
C22H23NO4 (365.16269980000004)
6-[(5-acetyl-2h-1,3-benzodioxol-4-yl)methyl]-2h-[1,3]dioxolo[4,5-g]isoquinolin-5-one
C20H15NO6 (365.08993300000003)