Exact Mass: 303.1019
Exact Mass Matches: 303.1019
Found 144 metabolites which its exact mass value is equals to given mass value 303.1019,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Flumazenil
Flumazenil is only found in individuals that have used or taken this drug.Flumazenil, an imidazobenzodiazepine derivative, antagonizes the actions of benzodiazepines on the central nervous system. Flumazenil competitively inhibits the activity at the benzodiazepine recognition site on the GABA/benzodiazepine receptor complex, thereby reversing the effects of benzodiazepine on the central nervous system. Flumazenil is a weak partial agonist in some animal models of activity, but has little or no agonist activity in man. V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D020011 - Protective Agents > D000931 - Antidotes Flumazenil is a competitive GABAA receptor antagonist, used in the treatment of benzodiazepine overdoses.
Fenamiphos
CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9511 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9468; ORIGINAL_PRECURSOR_SCAN_NO 9467 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9521; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9503; ORIGINAL_PRECURSOR_SCAN_NO 9502 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9453; ORIGINAL_PRECURSOR_SCAN_NO 9452 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9474; ORIGINAL_PRECURSOR_SCAN_NO 9473 Systemic agricultural nematocide. Cholinesterase inhibitor Fenamiphos is an organophosphate acetylcholinesterase inhibitor used as an insecticide C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D016573 - Agrochemicals D010575 - Pesticides
Gynocardin
Glucoside from Pangium edule (football fruit). Gynocardin is found in rowal and fruits. Gynocardin is found in fruits. Glucoside from Pangium edule (football fruit
11-Deoxytetrodotoxin
D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
Leflutrozole
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Tsitsikammamine A
1-(1-oxo-3-phenylpropyl)-3alpha,4alpha-epoxy-5beta-acetyloxy-2-piperidone|3alpha,4alpha-epoxy-5beta-pipermethystine
5-beta-D-glucopyranosyloxy-4-methoxy-1-methyl-2-pyridone|ar-acalyphidone
5-[(1E,3E,5E)-6-(3-chloro-pyrrol-2-yl)-5-methyl-hexa-1,3,5-trienyl]-2,2-dimethyl-furan-3-one|wallemia F
O7-Me-4-(5,7-Dihydroyxy-2-methyl-6-chromanyl)-2-piperidone
6-Methoxy-8-(1-hydroxy-1-methylethyl)-7,8-dihydro-1,3-dioxolo[4,5-h]furo[2,3-b]quinoline
(-)-8-(alpha-Hydroxy-isopropyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]chinolin-6-on|(-)-8-(alpha-hydroxy-isopropyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|8-(1-hydroxy-1-methyl-ethyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|Hydroxylunin|hydroxylunine
(1alpha,2beta)-1,2-dihydroxy-9,10-[methylenebis(oxy)]galanthan-7-one|1alpha,2beta-dihydroxy-9,10-methanediyldioxy-galanthan-7-one|1alpha,2beta-dihydroxy-9,10-methylenedioxy-galanthan-7-one|7-oxodihydrolycorine|alpha-dihydro-lycorine-lactam|alpha-dihydrolycorine lactam|alpha-dihydrolycorinelactam
(7aS,10R,11aR)-7a,8,9,10,11,11a-hexahydro-5,10-dihydroxy-2,8-dimethyl-4H-pyrano[2?,3?:4,5]benzofuro[2,3-b]pyridin-4-one|chrotacumine E
N-{[4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridine]-6-yl]methyl}ethanimidate
Based on the SMILES structure CC(=O)NCC1=C(C(=CC(=N1)C2=CC=CC=N2)OC)SC, the compound likely contains a thiazole ring (due to sulfur and nitrogen in the 5-membered ring) fused with a pyridine ring (6-membered aromatic ring with nitrogen), along with an acetyl group and a methoxy substituent. Here’s a speculative analysis of its potential biological functions: Antimicrobial Activity The thiazole-pyridine core is structurally similar to certain antibiotics (e.g., sulfathiazole derivatives) and antifungal agents. Thiazoles are known to disrupt bacterial cell wall synthesis or inhibit enzymes like dihydrofolate reductase (DHFR), critical for microbial survival. Kinase or Enzyme Inhibition The pyridine-thiazole system resembles scaffolds in tyrosine kinase inhibitors (e.g., dasatinib analogs) used in cancer therapy. The acetyl group may enhance solubility or act as a prodrug moiety, while the methoxy group could modulate binding to hydrophobic enzyme pockets. Anti-inflammatory or Analgesic Effects Acetamide derivatives (e.g., paracetamol analogs) often exhibit pain-relieving properties. The sulfur atom might contribute to antioxidant activity, potentially mitigating oxidative stress in inflammatory pathways. Neuroactive Potential Pyridine-thiazole hybrids are explored in neurological disorders (e.g., acetylcholinesterase inhibitors for Alzheimer’s). The structure’s aromaticity and polar groups may facilitate blood-brain barrier penetration. Key Rationale: The compound’s hybrid heterocyclic system (thiazole + pyridine) and substituents (acetyl, methoxy) align with pharmacophores for targeting proteins, nucleic acids, or microbial enzymes. Experimental validation (e.g., enzyme assays, microbial screens) would be needed to confirm specific activities.
4-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-6-yl)-1-methyl-piperidin-2-one|N-Me-4-(5,7-Dihydroyxy-2-methyl-6-chromanyl)-2-piperidone
6-methoxy-9,9-dimethyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h]pyrano[2,3-b]quinolin-8-ol|Pteleflorin|Pteleflorine
flumazenil
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D020011 - Protective Agents > D000931 - Antidotes Flumazenil is a competitive GABAA receptor antagonist, used in the treatment of benzodiazepine overdoses.
3-(4-ETHOXY-PHENYL)-3-[(FURAN-2-CARBONYL)-AMINO]-PROPIONIC ACID
methyl 5,5,5-trifluoro-4-(4-methoxy-2-methylphenyl)iminopentanoate
(CYCLOOCTA-1,5-DIENE)(PYRIDYL)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I)HEXAFLUOROPHOSPHATE
CarboxylicAcidPhenylMethylEsterHydrochloride,QuinaprilHcl
6-chloro-3-methyl-1-phenyl-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine
6-METHOXYQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
TETRAETHYL(AMINOMETHYLENE)BISPHOSPHONATE OXALATE SALT
4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
2-AMINO-4-(4-METHOXYPHENYL)-5H-INDENO[1,2-D]PYRIMIDIN-5-ONE
(3S,5R)-benzyl 3-hyd(3S,5R)-benzyl 3-hydroxy-5-(trifluoromethyl)piperidine-1-carboxylate
3-BENZYL-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOTHIOAMIDE
1,6-Dihydro-4-hydroxy-1-(4-methoxyphenyl)-2-methyl-6-(oxo)nicotinic acid ethyl ester
ETHYL 4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
7,7-dimethyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydrochromene-2,5-dione
1-TERT-BUTYL 6-METHYL 3-FORMYL-1H-INDOLE-1,6-DICARBOXYLATE
(S)-Apomorphine Hydrochloride
Sanfetrinem sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
2-[[6-(2-Furanyl)-3-pyridazinyl]thio]-1-(1-piperidinyl)ethanone
diethyl 6-methyl-4-oxo-4H-quinolizine-1,3-dicarboxylate
10-(Phenylmethyl)pyrimido[4,5-b]quinoline-2,4-dione
2,6-Diphenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
2-(2-Furanyl)-3-(6-methyl-2-pyridinyl)-4-quinazolinone
1-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-1-cyclopentanecarboxamide
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
(allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid
propan-2-yl 3a,8b-dihydroxy-2-methyl-4-oxo-3H-indeno[1,2-b]pyrrole-3-carboxylate
FENAMIPHOS
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D016573 - Agrochemicals D010575 - Pesticides
2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-,(1alpha,4alpha,5beta)-
Dihydrexidine (hydrochloride)
Dihydrexidine hydrochloride (DAR-0100 hydrochloride) is a high potent, selective and full efficacy D1-like dopamine receptor (D1/D5) agonist, with an IC50 of 10 nM for D1 receptor. Dihydrexidine hydrochloride exhibits potent antiparkinsonian activity[1][2][3][4]. Dihydrexidine hydrochloride can stimulate YAP phosphorylation[5].
(1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-imino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
(13s)-13-(2-hydroxypropan-2-yl)-16-methyl-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,11(15)-tetraen-10-one
3-imino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
4-(5,7-dihydroxy-2-methyl-4-oxochromen-6-yl)-1-methylpiperidin-2-one
5,8,12,13-tetrahydroxy-8-(hydroxymethyl)-3-imino-10-oxa-2,4-diazatricyclo[7.3.1.0¹,⁶]tridecan-11-one
(12s)-12-hydroxy-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
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,14-tetraene-13,16,17-triol
(1s,4s,5s)-4,5-dihydroxy-2-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile
(1s,2s,4r,5s)-4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
n-{[4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methyl}ethanimidic acid
4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
12-hydroxy-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
3α,4α-epoxy-5β-pipermethystine
{"Ingredient_id": "HBIN007918","Ingredient_name": "3\u03b1,4\u03b1-epoxy-5\u03b2-pipermethystine","Alias": "NA","Ingredient_formula": "C16H17NO5","Ingredient_Smile": "CC(=O)OC1CN(C(=O)C2C1O2)C(=O)CCC3=CC=CC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7187","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
