Exact Mass: 387.1100156

D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 375; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9757; ORIGINAL_PRECURSOR_SCAN_NO 9756 CONFIDENCE standard compound; INTERNAL_ID 375; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9779; ORIGINAL_PRECURSOR_SCAN_NO 9775 CONFIDENCE standard compound; INTERNAL_ID 375; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9794; ORIGINAL_PRECURSOR_SCAN_NO 9793 CONFIDENCE standard compound; INTERNAL_ID 375; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9828; ORIGINAL_PRECURSOR_SCAN_NO 9826 CONFIDENCE standard compound; INTERNAL_ID 375; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9794; ORIGINAL_PRECURSOR_SCAN_NO 9792 CONFIDENCE standard compound; INTERNAL_ID 375; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9842; ORIGINAL_PRECURSOR_SCAN_NO 9840 CONFIDENCE standard compound; INTERNAL_ID 2593 CONFIDENCE standard compound; INTERNAL_ID 8468 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2779 Pyraclostrobin is a highly effective and broad-spectrum strobilurin fungicide. Pyraclostrobin can induce oxidative DNA damage, mitochondrial dysfunction and autophagy through the activation of AMPK/mTOR signaling. Pyraclostrobin can be used to control crop diseases[1][2][3].

Dimethomorph

Pesticide1_Dimethomorph Isomer 1*_C21H22ClNO4_(2E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one

D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1085 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2944

Glucobrassicanapin

{[(E)-(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxy}sulfonic acid

C12H21NO9S2 (387.0657696)

Isolated from rape (Brassica napus) and other Brassica species Glucobrassicanapin is found in many foods, some of which are swede, chinese mustard, chinese cabbage, and horseradish. Glucobrassicanapin is found in brassicas. Glucobrassicanapin is isolated from rape (Brassica napus) and other Brassica sp.

APHOLATE

2l5,4l5,6l5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-aziridinyl)-

C12H24N9P3 (387.1367454)

Lomefloxacin hydrochloride

Lomefloxacin hydrochloride (Maxaquin)

C17H20ClF2N3O3 (387.1161184)

The hydrochloride salt of lomefloxacin. It is administered by mouth to treat bacterial infections including bronchitis and urinary tract infections. It is also used topically as eye drops for the treatment of bacterial conjunctivitis, and as ear drops for the treatment of otitis externa and otitis media. 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

flurazepam

C21H23ClFN3O (387.151359)

D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents 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 CONFIDENCE standard compound; INTERNAL_ID 1631

A939572

4-(2-Chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

C20H22ClN3O3 (387.1349612)

A939572 is a potent, and orally bioavailable stearoyl-CoA desaturase1 (SCD1) inhibitor with IC50 values of <4 nM and 37 nM for mSCD1 and hSCD1, respectively.

Flurazepam

7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

C21H23ClFN3O (387.151359)

Flurazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine derivative used mainly as a hypnotic. [PubChem]Flurazepam binds to an allosteric site on GABA-A receptors. Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents 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

HDMBOA-Glc

4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C16H21NO10 (387.1165406)

Constituent of the roots of Coix lachryma-joba (Jobs tears) and from wheat and sweet corn (Zea mays). (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in many foods, some of which are cereals and cereal products, coffee and coffee products, tea, and alcoholic beverages. HDMBOA-Glc is found in alcoholic beverages. HDMBOA-Glc is a constituent of the roots of Coix lachryma-joba (Jobs tears) and from wheat and sweet corn (Zea mays).

Dihydroxycitracridone I

3,4,7,11-tetrahydroxy-6-methoxy-2,2,5-trimethyl-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-10-one

C18H21N5O3S (387.1365036000001)

Dihydroxycitracridone I is found in citrus. Dihydroxycitracridone I is isolated from roots of grapefruit plant

1-Pentenyl glucosinolate

{[(e)-[(2E)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}hex-2-en-1-ylidene]amino]oxy}sulphonic acid

C12H21NO9S2 (387.0657696)

1-Pentenyl glucosinolate is found in brassicas. 1-Pentenyl glucosinolate is present in brassica Present in brassicas. 1-Pentenyl glucosinolate is found in brassicas.

(R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside

7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C16H21NO10 (387.1165406)

(R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products. (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is isolated from sweet corn (Zea mays). Isolated from sweet corn (Zea mays). (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products and fats and oils.

triazolopyridinone epoxide

9-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-oxa-7,9,10-triazatricyclo[5.3.0.0²,⁴]deca-1(10),5-dien-8-one

C19H22ClN5O2 (387.1461942)

triazolopyridinone epoxide is a metabolite of trazodone. Trazodone (also sold under the brand names Desyrel, Oleptro, Beneficat, Deprax, Desirel, Molipaxin, Thombran, Trazorel, Trialodine, Trittico, and Mesyrel) is an antidepressant of the serotonin antagonist and reuptake inhibitor (SARI) class. It is a phenylpiperazine compound. Trazodone also has anxiolytic and hypnotic effects. Trazodone has considerably fewer prominent anticholinergic and sexual side effects than most of the tricyclic antidepressants (TCAs). (Wikipedia)

4'-hydroxytrazodone

2-{3-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H22ClN5O2 (387.1461942)

4-hydroxytrazodone is a metabolite of trazodone. Trazodone (also sold under the brand names Desyrel, Oleptro, Beneficat, Deprax, Desirel, Molipaxin, Thombran, Trazorel, Trialodine, Trittico, and Mesyrel) is an antidepressant of the serotonin antagonist and reuptake inhibitor (SARI) class. It is a phenylpiperazine compound. Trazodone also has anxiolytic and hypnotic effects. Trazodone has considerably fewer prominent anticholinergic and sexual side effects than most of the tricyclic antidepressants (TCAs). (Wikipedia)

4-(2-Chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

C20H22ClN3O3 (387.1349612)

A939572 is a potent, and orally bioavailable stearoyl-CoA desaturase1 (SCD1) inhibitor with IC50 values of <4 nM and 37 nM for mSCD1 and hSCD1, respectively.

4-Methyl-N-[4-[(4-nitrophenyl)azaniumyl]phenyl]-4-oxidopiperazin-4-ium-1-carboximidothioate

4-Methyl-N-[4-[(4-nitrophenyl)azaniumyl]phenyl]-4-oxidopiperazin-4-ium-1-carboximidothioic acid

(E)-Dimethomorph

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one

C20H22FN3O4 (387.15942640000003)

DV 7751a

6-{8-amino-6-azaspiro[3.4]octan-6-yl}-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Falnidamol

N8-(3-chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)pyrimido[5,4-d][1,3]diazine-2,8-diamine

C18H19ClFN7 (387.1374416)

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor

Pyraclostrobin

methyl N-[2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]-N-methoxycarbamate

4-[4-(Quinolin-2-ylmethoxy)phenyl]sulfanylbenzoic Acid

4-({4-[(quinolin-2-yl)methoxy]phenyl}sulphanyl)benzoic acid

C23H17NO3S (387.0929092)

Tegoprazan

4-[(5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl)oxy]-N,N,2-trimethyl-1H-1,3-benzodiazole-6-carboxamide

C20H19F2N3O3 (387.1394408)

Benzyladenine 3-O-beta-D-glucoside

(2R,3R,4S,5S,6R)-2-[6-(benzylamino)-9H-purin-9-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Benzyladenine 3-o-beta-d-glucoside is a member of the class of 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). Benzyladenine 3-o-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyladenine 3-o-beta-d-glucoside can be found in soy bean, which makes benzyladenine 3-o-beta-d-glucoside a potential biomarker for the consumption of this food product.

Benzyladenine 7-O-beta-D-glucoside

(3R,4S,5S,6R)-2-[6-(benzylamino)-7H-purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Benzyladenine 7-o-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyladenine 7-o-beta-d-glucoside can be found in soy bean, which makes benzyladenine 7-o-beta-d-glucoside a potential biomarker for the consumption of this food product.

DHMBOA hexose

(2R)-4,7-dimethoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C16H21NO10 (387.1165406)

Palmatine chloride

C21H22NO4+.Cl- (387.1237282000001)

Palmatine chloride is an orally active and irreversible indoleamine 2,3-dioxygenase 1 (IDO-1) inhibitor with IC50s of 3 μM and 157μM against HEK 293-hIDO-1 and rhIDO-1, respectively. Palmatine chloride can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine chloride shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities[1][2][3][4][5]. Palmatine chloride is an orally active and irreversible indoleamine 2,3-dioxygenase 1 (IDO-1) inhibitor with IC50s of 3 μM and 157μM against HEK 293-hIDO-1 and rhIDO-1, respectively. Palmatine chloride can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine chloride shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities[1][2][3][4][5].

Palmatine

2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium chloride

A natural product found in Marinactinospora thermotolerans.

ZINC1039859

C14H12F3N5O5 (387.0790498)

Maybridge4_001311

C18H17N3O5S (387.08888720000004)

ZINC4334525

C18H17N3O5S (387.08888720000004)

MCULE-3016112132

C22H17N3O2S (387.1041422)

TEB_M388

C16H23ClN3O4P (387.1114638)

CONFIDENCE Transformation product, tentative ID (Level 2b); INTERNAL_ID 2502

O1-(3-benzoxazol-2-yl-phenyl)-beta(?)-D-glucopyranuronic acid|O1-(3-Benzoxazol-2-yl-phenyl)-beta(?)-D-glucopyranuronsaeure

C20H21NO7

18-chloro-12,15-dihydroxy-14xi-methyl-(12xiH,13xiH,15xiH)-15,20-dihydro-21-nor-senecionane-11,16-dione|Chlordesoxy-sceleratin

C18H26ClNO6 (387.1448566)

Cystodytin F

C23H21N3O3 (387.1582836)

An alkaloid that is an enamide obtained by the formal condensation of 3-methylbut-2-enoic acid with 6-(2-amino-1-methoxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells.

Jaconine

C18H26ClNO6 (387.1448566)

A pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine.

N-Demethylcarboethoxymacronine

71295-01-7

Dermacozine C

C22H17N3O4 (387.1219002)

7-Methoxydeacetoxycephalosporin C

C15H21N3O7S (387.1100156)

C22H17N3O4

C22H17N3O4 (387.1219002)

(+)-3alpha,6beta-diacetylbulbispermine

Camptoneurine

C22H17N3O4 (387.1219002)

(7alpha,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-[methylenebis(oxy)]-17-methyl-6,16-dioxohasubanan|periglaucine C

Phomazarin

DTXSID30715857

C20H18ClNO5 (387.08734480000004)

Cystodytin G

C23H21N3O3 (387.1582836)

An alkaloid that is an enamide obtained by the formal condensation of tiglic acid with 6-(2-amino-1-methoxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells

Merenskine

C18H26ClNO6 (387.1448566)

(+)-3-chloro-N-formylnornantenine

Glu Cys His

C14H21N5O6S (387.12124860000006)

Met Thr His

C15H25N5O5S (387.15763200000004)

Tyr Cys Cys

C15H21N3O5S2 (387.0922576)

VER-49009

3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C15H25N5O5S (387.15763200000004)

His Thr Met

Cys Glu His

C14H21N5O6S (387.12124860000006)

Cys Tyr Cys

C15H21N3O5S2 (387.0922576)

2-[6-(benzylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

N6-benzyladenine-9-glucoside (BA9G)

Palmatine

2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium chloride

4-Pentenylglucosinolate

C12H21NO9S2 (387.0657696)

Pyraclostrobine

Pesticide3_Pyraclostrobin_C19H18ClN3O4_Methyl [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamate