Exact Mass: 319.1181574
Exact Mass Matches: 319.1181574
Found 500 metabolites which its exact mass value is equals to given mass value 319.1181574,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Norfloxacin
C16H18FN3O3 (319.13321300000007)
Norfloxacin is only found in individuals that have used or taken this drug. It is a synthetic fluoroquinolone (fluoroquinolones) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA gyrase. [PubChem]The bactericidal action of Norfloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination. Norfloxacin is a broad-spectrum antibiotic that is active against both gram-positive and gram-negative bacterias. The fluorine atom at the 6 position increases potency against gram-negative organisms, and the piperazine moiety at the 7 position is responsible for anti-pseudomonal activity J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 232 CONFIDENCE standard compound; INTERNAL_ID 1032
Metconazole
C17H22ClN3O (319.14513120000004)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3171 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9898; ORIGINAL_PRECURSOR_SCAN_NO 9895 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9890; ORIGINAL_PRECURSOR_SCAN_NO 9888 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9838; ORIGINAL_PRECURSOR_SCAN_NO 9837 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9910; ORIGINAL_PRECURSOR_SCAN_NO 9909 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9790; ORIGINAL_PRECURSOR_SCAN_NO 9789 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9852; ORIGINAL_PRECURSOR_SCAN_NO 9851 CONFIDENCE standard compound; INTERNAL_ID 8446 CONFIDENCE standard compound; INTERNAL_ID 2583
Tetrodotoxin
A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Tetrodotoxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4368-28-9 (retrieved 2024-09-06) (CAS RN: 4368-28-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
ci no 52015
C16H18ClN3S (319.09098980000005)
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CG - Tests for gastric secretion COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tryptophyl-Aspartate
Tryptophyl-Aspartate is a dipeptide composed of tryptophan and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-Tryptophan
Aspartyl-Tryptophan is a dipeptide composed of aspartate and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Ibandronate
Ibandronate is a nitrogen-containing bisphosphonate in the same class as alendronate and risedronate. Ibandronate inhibits osteoclast-mediated bone resorption. All of the bisphosphonates prevent the breakdown of bone by bone cells called osteoclasts. In persons who are at high risk for osteoporosis, bisphosphonates not only result in increased amounts of bone and bone strength, they also reduce the risk of hip fractures and other bone fractures. M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Salbutamol 4-O-sulfate
C13H21NO6S (319.10895260000007)
Salbutamol 4-O-sulfate is a metabolite of salbutamol. Salbutamol or albuterol is a short-acting β2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma and chronic obstructive pulmonary disease. It is marketed as Ventolin among other brand names. Salbutamol was the first selective β2-receptor agonist to be marketed — in 1968. It was first sold by Allen & Hanburys under the brand name Ventolin. The drug was an instant success, and has been used for the treatment of asthma ever since. (Wikipedia)
N-(p-Toluenesulfonyl)-L-phenylalanine
C16H17NO4S (319.08782420000006)
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol, octahydro-12-(hydroxymethyl)-2-imino-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D049990 - Membrane Transport Modulators
1-(2-Methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Cocaine-alcohol
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline
C13H21NO6S (319.10895260000007)
Oxetorone
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations
1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
4-Hydroxy-5-[3-[(1-methylcyclohexyl)methoxy]phenyl]-3H-1,3-thiazol-2-one
C17H21NO3S (319.12420760000003)
Cynaustine
Cynaustine belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Cynaustine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cynaustine can be found in borage, which makes cynaustine a potential biomarker for the consumption of this food product.
alpha-[(3-Amino-3-carboxy-2-hydroxypropyl)amino]-2-carboxy-1-azetidinebutanoic acid
C12H21N3O7 (319.13794359999997)
2-chloro-3-(octylamino)-1,4-dihydronaphthalene-1,4-dione
C18H22ClNO2 (319.13389820000003)
tert-Butyl N-{2-[2-amino-4-(trifluoromethyl)anilino]ethyl}carbamate
C14H20F3N3O2 (319.15075360000003)
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester
6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
9,10-methanediyldioxy-1-methyl-lycoranane-5alpha,7xi-diol|dihydrocliviasine|Radiatin|radiatine
Decarine
A natural product found particularly in Zanthoxylum caudatum and Zanthoxylum viride.
(3R)-(-)-7,8-dimethoxygeibalansine|(3R)-(-)-8,9-dimethoxygeibalansine
1-N-beta-D-ribofuranosylmakaluvamine I|N-1-beta-D-ribofuranosylmakalucamine I|N-1-beta-D-ribofuranosylmakaluvamine I
(+)-7-(2-hydroxy-3-methyl-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|(+)-lunidine|Lunidin|Lunidine
4-methoxy-1-methyl-3-(2S-acetoxy-3-hydroxy-butyl)-2-quinolone
(S)-2-(3,4-dihydroxybenzoylamino)-3-(3,4-dihydroxyphenyl)propanol|nigerrimin B
8-(4-O-methyl-alpha-rhamnopyranosyloxy)-2-methyquinoline
(1R*,3S*)-1-(5-hydroxymethylfuran-2-yl)-3-carboxy-6-hydroxy-8-methoxy-1,2,3,4-tetrahydroisoquinoline
2-(3,4-dihydro-2-methoxy-4-oxoquinazolinyl)-1H-indole-3-carboxaldehyde|orirenierine B
C18H13N3O3 (319.09568680000007)
2-Hydroxynicotianamine|2-hydroxynicotianamine
C12H21N3O7 (319.13794359999997)
(Xi)-2,3-dihydroxy-2-phenyl-propionic acid (2R)-4-methyl-(3at,6at)-hexahydro-2r,5c-methano-furo[3,2-b]pyrrol-6c-yl ester
(2R)-2-acetamido-3-(5-hydroxy-2-pentyloxolan-3-yl)sulfanylpropanoic acid
C14H25NO5S (319.14533600000004)
Hydroxyevodiamine
Confoline
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
1,N2-6-Oxo-malondialdehyde-deoxyguanosine
C13H13N5O5 (319.09166480000005)
4-hydroxy Nonenal Mercapturic Acid
C14H25NO5S (319.14533600000004)
H-1152
C16H21N3O2S (319.13544060000004)
Albuterol (Salbutamol-4-O-sulfate)
C13H21NO6S (319.10895260000007)
Ibandronate
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Asp-TRP
A dipeptide formed from L-alpha-aspartyl and L-tryptophan residues.
TRP-Asp
A dipeptide formed from L-tryptophan and L-aspartic acid residues.
(5-Isopropoxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-y l)boronic acid
Methyl 5,5,5-trifluoro-4-(2-(4-nitrophenyl) hydrazono)pentanoate
C12H12F3N3O4 (319.07798679999996)
(S)-(+)-Norepinephrine L-bitartrate
C12H17NO9 (319.09032720000005)
N2-CYCLOPROPYL-N3-(PIPERIDIN-4-YL)QUINOXALINE-2,3-DIAMINE HYDROCHLORIDE
METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-5-(TRIFLUOROMETHYL)BENZOATE
ETHYL5-CHLOROTHIOPHENE-2-CARBOXLATE
C17H21NO3S (319.12420760000003)
(r)-phenyl-(toluene-4-sulfonylamino)-acetic acid methyl ester
C16H17NO4S (319.08782420000006)
methyl 3-[(2,4-dimethylphenyl)sulfonylamino]benzoate
C16H17NO4S (319.08782420000006)
METHYL 2-(4-METHYLPHENYLSULFONAMIDO)-2-PHENYLACETATE
C16H17NO4S (319.08782420000006)
(R)-2-(4-Methylphenylsulfonamido)-3-phenylpropanoicacid
C16H17NO4S (319.08782420000006)
Proquinolate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
METHYL 4-(ETHYLCARBAMOYL)-2,3-DIFLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
C17H15F2NO3 (319.1019944000001)
TERT-BUTYL-N-(2-[2-AMINO-4-(TRIFLUOROMETHYL)ANILINO]ETHYL)CARBAMATE
C14H20F3N3O2 (319.15075360000003)
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl acetate
2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-1-ethanol
C13H16F3N3O3 (319.11437020000005)
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2R)-
(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid
1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-, sodium salt, hydrate (2:2:1)
3-(2-Benzyl(methyl)aminoethyl)benzoic acid methyl ester hydrochloride
C18H22ClNO2 (319.13389820000003)
2-[2-(4-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid
C15H17N3O3S (319.09905720000006)
N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide
C18H13N3O3 (319.09568680000007)
4-(6-METHOXY-2-NAPHTHYL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE
2-[4-(4-hydroxybut-2-ynyl)piperazin-1-yl]-3-nitrobenzoic acid
Ro 19-4603
C15H17N3O3S (319.09905720000006)
Oxetorone
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
dimethyl 4-(3-methoxy-3-oxopropyl)-4-nitroheptanedioate
(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINE (2R,3R)-2,3-DIHYDROXYSUCCINATE
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2S)-
N-[5-Acetyl-2-(benzyloxy)phenyl]methanesulfonamide
C16H17NO4S (319.08782420000006)
Methanone, [4-(4-chlorophenyl)-1-piperazinyl](3,5-dimethyl-4-isoxazolyl)
(R)-ethyl 2-(1-(benzyloxycarbonyl)ethyl)thiazole-5-carboxylate
C16H17NO4S (319.08782420000006)
3-(4-Cyanophenyl)propenoic acid 4-pentylphenyl ester
(E)-P,P-diphenyl-N-(1-phenylethylidene)phosphinic amide
Methanone, [4-(2-chlorophenyl)-1-piperazinyl](3,5-dimethyl-4-isoxazolyl)-
(1-(tert-Butoxycarbonyl)-7-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
[4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
C15H18BNO6 (319.12271180000005)
(1-(tert-Butoxycarbonyl)-6-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
(1S,2S)-1-(DIPHENYLPHOSPHINO)-1-PHENYLPROPAN-2-AMINE
METHYL 2-((ISOPROPOXYCARBONYL)AMINO)-5-METHYL-4-(TRIFLUOROMETHYL)BENZOATE
[(1R)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphinic acid
C16H18NO4P (319.09733980000004)
(1-(tert-Butoxycarbonyl)-5-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
N-[N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)aminocarbonyl]-L-valine lithium salt
C14H22LiN3O3S (319.15418520000003)
Sumanirole Maleate
Sumanirole maleate (U-95666E; PNU-95666E) is a highly selective D2 receptor full agonist with an ED50 of about 46 nM. Sumanirole plays an important role in the research of Parkinson's disease and restless leg syndrome[1].
METHYL N-P-TOLUENESULFONYL-L-2-PHENYLGLYCINATE
C16H17NO4S (319.08782420000006)
Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
1-BENZYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
C18H22ClNO2 (319.13389820000003)
(2S)-5-Oxo-1,2-pyrrolidinedicarboxylic acid 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester
9,10 - dimethylacridinium methyl sulfate
C16H17NO4S (319.08782420000006)
1-Oxa-8-azaspiro[4,5]decane-8-carboxylic acid,3-bromo-,1,1-dimethylethylester
C13H22BrNO3 (319.07829620000007)
Tert-Butyl 6-Fluoro-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate
1,1-BIPHENYL]-3-ACETAMIDE, N-[(3-FLUOROPHENYL)METHYL]-
3-[3-Acetyl-4-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate
(3-Fluoro-4-(((4-methoxybenzyl)oxy)carbamoyl)phenyl)boronic acid
2-[benzyl-(4-methylphenyl)sulfonyl-amino]acetic acid
C16H17NO4S (319.08782420000006)
(S)-2-Methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
C16H21N3O2S (319.13544060000004)
6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
C18H22ClNO2 (319.13389820000003)
(2R)-2-acetamido-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropanoic acid
C14H25NO5S (319.14533600000004)
2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
C16H17NO4S (319.08782420000006)
1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
1-[1-(3-Fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
C16H18FN3O3 (319.13321300000007)
Glycine, N-(N-L-methionyl-L-leucyl)-
C13H25N3O4S (319.15656900000005)
1-Cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
C16H21N3O2S (319.13544060000004)
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
C18H13N3OS (319.07792880000005)
4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methyl-1-phthalazinone
1H-Indole-3-acetic acid, 1-(trimethylsilyl)-, trimethylsilyl ester
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
C18H22ClNO2 (319.13389820000003)
5-(2-Fluorophenyl)-N-(Pyridin-4-Ylmethyl)pyrazolo[1,5-A]pyrimidin-7-Amine
(11R,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
N-(7-Carbamimidoyl-naphthalen-1-YL)-3-hydroxy-2-methyl-benzamide
6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-G]quinazolin-8-one
6-(2-Fluorophenyl)-N-(Pyridin-3-Ylmethyl)imidazo[1,2-A]pyrazin-8-Amine
{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
ibandronic acid
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
-[(1R,3S)-5,6,9,10-tetrahydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate
6-Methyl-5-[3-(3-nitrophenoxy)propoxy]pyrimidine-2,4-diamine
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline
C13H21NO6S (319.10895260000007)
Methyl 3-benzoyloxy-2-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
(11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
gamma-d-Glutamyl-meso-diaminopimelic acid
C12H21N3O7 (319.13794359999997)
The gamma-D-glutamyl derivative of meso-diaminopimelic acid. Minimal ligand of NOD1.
N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester
C16H21N3O2S (319.13544060000004)
1-[[(1,5-Dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester
1-(4-Ethyl-2-pyridinyl)-3-(4-methylphenyl)sulfonylurea
C15H17N3O3S (319.09905720000006)
N-(2-furanylmethyl)-1-(4-methoxyphenyl)-5-benzimidazolamine
2-(4-Methoxyphenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
2-[(7-Hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-4-methylpentanoic acid
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester
2-(9-Ethyl-6-indolo[3,2-b]quinoxalinyl)acetic acid methyl ester
N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidinamine
C18H13N3O3 (319.09568680000007)
5-(4-Methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
4-[4-[Cyclohexyloxy(oxo)methyl]anilino]-4-oxobutanoic acid
7,8-Dimethoxy-5-methyl-3-phenylpyrazolo[3,4-c]isoquinoline
2-(4-Chlorophenyl)-4-(ethylthio)-6-(1-pyrrolidinyl)pyrimidine
C16H18ClN3S (319.09098980000005)
N-(4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
2,3-Dihydro-1,4-dioxin-5-carboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester
1-(4-Methoxyanilino)-3-(4-methoxyphenyl)sulanylpropan-2-ol
C17H21NO3S (319.12420760000003)
N-cycloheptyl-2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetamide
6-(2-methyl-3-furanyl)-N-[(5-methyl-2-furanyl)methyl]-4-quinazolinamine
6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-4-quinazolinamine
(2R,6S)-2-amino-6-[[(4R)-4-amino-4-carboxybutanoyl]amino]heptanedioic acid
C12H21N3O7 (319.13794359999997)
1-Cyclopropyl-4-oxo-5-methyl-6-fluoro-7-[(2-aminoethyl)amino]-1,4-dihydroquinoline-3-carboxylic acid
C16H18FN3O3 (319.13321300000007)
5-Methoxyaminomethyl-2-thiouridine
C11H17N3O6S (319.08380220000004)
2-(1-Ethyl-1H-indol-2-yl)-1-methyl-1H-benzimidazole-6-carboxylic acid
5-(1,4-Diazepan-1-ylsulfonyl)-4-ethylisoquinoline
C16H21N3O2S (319.13544060000004)
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine
C16H21N3O2S (319.13544060000004)
[(1R,2S,4S,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
(11S,13S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
(2S)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenoxy)propanamide
(N-Trifluoroacetylamino)methylphosphonic acid dibutyl ester
C11H21F3NO4P (319.11602320000003)
3-Methyl-4-phenacyl-1-para-tolyl-3-pyrroline-2,5-dione
norfloxacin
C16H18FN3O3 (319.13321300000007)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Mycophenolate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.
Neuropeptide Y5 receptor ligand-1
Neuropeptide Y5 receptor ligand-1 (compound 54), a carbazole derivative, is a potent neuropeptide Y5 (NPY-5) receptor antagonist[1].
Ro 67-7476
C17H18FNO2S (319.10422200000005)
Ro 67-7476 is a potent positive allosteric modulator of mGluR1 and potentiates glutamate-induced calcium release in HEK293 cells expressing rat mGluR1a with an EC50 of 60.1 nM[1][2]. Ro 67-7476 is a potent P-ERK1/2 agonist?and activates ERK1/2 phosphorylation in the absence of exogenously added glutamate (EC50=163.3 nM)[3].
18,19-dihydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C18H13N3O3 (319.09568680000007)
5-[(1r,2r)-2,3-dihydroxy-1-methoxypropyl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
3-{[(2s,3r)-3-(hydroxymethyl)-3-methyloxiran-2-yl]methyl}-4,8-dimethoxy-1-methylquinolin-2-one
(4s,6s,8s,9r,12r,16s)-8-hydroxy-4,6-dimethyl-17-oxa-2-azatetracyclo[7.6.2.0⁴,¹⁶.0¹²,¹⁶]heptadec-1(15)-ene-3,5,14-trione
2-{4,7,8-trimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl}propan-2-ol
1-{3-[(3-amino-3-carboxy-2-hydroxypropyl)amino]-3-carboxypropyl}azetidine-2-carboxylic acid
C12H21N3O7 (319.13794359999997)
(2s,3s)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)butan-2-yl acetate
(2e)-n-[(2r)-2,4-bis(acetyloxy)butyl]-3-phenylprop-2-enimidic acid
5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one
6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadeca-7,9-dien-14-yl acetate
(2z)-n-(4-{[(2e)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
(8s,9r,11r,13r)-3,8,14-trihydroxy-11,13-dimethyl-17-oxa-15-azatricyclo[7.6.2.0⁵,¹⁶]heptadeca-1,3,5(16),14-tetraen-12-one
8-hydroxy-4,6-dimethyl-17-oxa-2-azatetracyclo[7.6.2.0⁴,¹⁶.0¹²,¹⁶]heptadec-1(15)-ene-3,5,14-trione
anisodine
{"Ingredient_id": "HBIN016190","Ingredient_name": "anisodine","Alias": "NA","Ingredient_formula": "C17H21NO5","Ingredient_Smile": "CN1C2CC(CC1C3C2O3)OC(=O)C(CO)(C4=CC=CC=C4)O","Ingredient_weight": "319.35","OB_score": "NA","CAS_id": "52646-92-1","SymMap_id": "NA","TCMID_id": "1288","TCMSP_id": "NA","TCM_ID_id": "6759;11314;12309;17633;17634","PubChem_id": "44386560","DrugBank_id": "NA"}
7-[(2s)-2-hydroxy-3-methylbutyl]-6-methoxy-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
(1r,5r,6r,7r,9s,11s,12s,13s,14r)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
(1r,4s,6s,8s,10r,17s)-17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.0⁴,⁶.0¹³,¹⁷]heptadec-13-ene-9,11,15-trione
5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]icosa-1(12),2(6),4,7(11),9,13(18),19-heptaene
10-{[2-(4-hydroxyphenyl)ethenyl]amino}-2-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
n-[1-(3,4-dihydroxyphenyl)-3-hydroxypropan-2-yl]-3,4-dihydroxybenzenecarboximidic acid
9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2r)-2,3-dihydroxy-2-phenylpropanoate
(1r,5r,6s,7r,9s,11r,12r,13s,14r)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
2-hydroxy-3-(1h-indol-3-ylmethyl)-4-methyl-3h-1,4-benzodiazepin-5-one
4-benzyl-3-hydroxy-4h-pyrazino[2,1-b]quinazoline-1,6-dione
C18H13N3O3 (319.09568680000007)
ethyl 4-methyl-6-(1,4,6-trihydroxy-3h-isoindol-5-yl)hex-4-enoate
17-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-16-ol
n-(4-{[3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
(2s)-1-[(3s)-3-{[(2r,3s)-3-amino-3-carboxy-2-hydroxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid
C12H21N3O7 (319.13794359999997)
4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-9,12-diol
(2s,4r)-n-{5-[(2-carbamimidoyleth-1-en-1-yl)carbamoyl]-1h-pyrrol-3-yl}-4-hydroxy-5-iminopyrrolidine-2-carboximidic acid
(1r,5r,6r,7r,9s,11s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
10-amino-2-[(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(1r,5s,6r,7r,9s,11s,12r,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
methyl 2-(1,2-dimethoxy-2-oxoethyl)-1-methyl-4-oxoquinoline-3-carboxylate
(1s,10s,11r,13s,17r)-5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one
15-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14,17,19-octaen-16-one
5-[(1s,2r)-2,3-dihydroxy-1-methoxypropyl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
2-[2-(methylamino)benzoyl]-3h,4h,9h-pyrido[3,4-b]indol-1-one
(11s,12r)-11,12-dihydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C18H13N3O3 (319.09568680000007)
2-[(2s)-4,7,8-trimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl]propan-2-ol
(4s)-4-benzyl-3-hydroxy-4h-pyrazino[2,1-b]quinazoline-1,6-dione
C18H13N3O3 (319.09568680000007)
10-{[(1e)-2-(4-hydroxyphenyl)ethenyl]amino}-2-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(1r,3s,4r,5s,7r)-6-methyl-2-oxa-6-azatricyclo[3.3.1.0³,⁷]nonan-4-yl (2r)-2,3-dihydroxy-2-phenylpropanoate
methyl 4-methyl-6-(1,4,6-trihydroxy-3-oxoisoindol-5-yl)hex-4-enoate
5-methoxy-6-methyl-2-[(2-methylquinolin-8-yl)oxy]oxane-3,4-diol
(2e)-n-(4-{[(2e)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
methyl 2-[(1s)-1,2-dimethoxy-2-oxoethyl]-1-methyl-4-oxoquinoline-3-carboxylate
3-[2-(1h-indol-3-yl)ethyl]-1-methylquinazoline-2,4-dione
3,8,14-trihydroxy-11,13-dimethyl-17-oxa-15-azatricyclo[7.6.2.0⁵,¹⁶]heptadeca-1,3,5(16),14-tetraen-12-one
(2e)-n-(4-{[(2z)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
4-[2-({11-hydroxy-7-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,8(12),9-tetraen-10-yl}imino)ethylidene]cyclohexa-2,5-dien-1-one
15-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-16-ol
(1r,3s,5s,6r,11s,13r,14r,15r)-6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadeca-7,9-dien-14-yl acetate
(8e,10e)-11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid
17-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-18-ol
(3s)-2-hydroxy-3-(1h-indol-3-ylmethyl)-4-methyl-3h-1,4-benzodiazepin-5-one
n-[2,4-bis(acetyloxy)butyl]-3-phenylprop-2-enimidic acid
17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.0⁴,⁶.0¹³,¹⁷]heptadec-13-ene-9,11,15-trione
(1r,5r,6r,7r,9s,11s,13s,14r)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
7-(2-hydroxy-3-methylbutyl)-6-methoxy-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
16-methoxy-13,13-dimethyl-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-octaene
(2s,3r,7r,9s,10s,12r)-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-9,12-diol
(1r,5s)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
(1r,5r,6s,7s,9s,11s,12s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
n-[(2s)-1-(3,4-dihydroxyphenyl)-3-hydroxypropan-2-yl]-3,4-dihydroxybenzenecarboximidic acid
(1r,5r,6r,7r,9s,11s,12r,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-5,6-dihydropyridin-2-one
ethyl (4e)-4-methyl-6-(1,4,6-trihydroxy-3h-isoindol-5-yl)hex-4-enoate
n-(2-{12-hydroxy-8,14-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-yl}ethyl)ethanimidic acid
(1r,2r,3r,4s,5r,6r,7s,11r)-2,3,4,5-tetrahydroxy-4-(hydroxymethyl)-9-imino-12-oxa-8,10-diazatricyclo[5.3.2.0¹,⁶]dodecane-11-carboxylic acid
5,8,9-trimethoxy-2,2-dimethyl-3h,4h-pyrano[2,3-b]quinolin-3-ol
3,5-dihydroxy-4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}pentanoic acid
(1s,13s,16s,17r)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
(3r)-5,8,9-trimethoxy-2,2-dimethyl-3h,4h-pyrano[2,3-b]quinolin-3-ol
(11s,13s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
(1s,13r,16s,17s)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
5,6-dihydroxy-3-(hydroxymethyl)-6-(1h-indol-3-ylmethyl)-1-methoxy-3h-pyrazin-2-one
(1r,5s,6r,7r,9s,11s,12s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
7-hydroxy-4,8-diphenyl-2h-[1,3]dioxolo[4,5-d]azepin-5-one
10-hydroxy-10-[5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]deca-2,4,6,8-tetraenoic acid
(1r,5r,6r,7s,9r,11s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
methyl 2-[(1r)-1,2-dimethoxy-2-oxoethyl]-1-methyl-4-oxoquinoline-3-carboxylate
5,9,17,17-tetramethyl-3,10-dioxa-8-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]icosa-1(12),2(6),4,7(11),8,13(18),19-heptaene
5-(2,3-dihydroxy-1-methoxypropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)butan-2-yl acetate
11,12-dihydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C18H13N3O3 (319.09568680000007)