Exact Mass: 387.14773660000003

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

Terazosin

1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)piperazine

C21H26ClN3O2 (387.17134460000005)

Terazosin is a selective alpha1-antagonist used for treatment of symptoms of benign prostatic hyperplasia (BPH). It also acts to lower blood pressure, so it is a drug of choice for men with hypertension and prostate enlargement. It works by blocking the action of adrenaline on smooth muscle of the bladder and the blood vessel walls. G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CA - Alpha-adrenoreceptor antagonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents

nemonapride

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Same as: D01468

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

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

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

(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

C21H26ClN3O2 (387.17134460000005)

(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.

1-[(6-Chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol

1-[(6-chloro-2-methoxy-9,10-dihydroacridin-9-ylidene)amino]-3-(diethylamino)propan-2-ol

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

C18H21N5O3S (387.1365036000001)

(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

(2S,3S)-Nemonapride

5-Chloro-2-methoxy-4-(methylamino)-N-(2-methyl-1-(phenylmethyl)-3-pyrrolidinyl)benzamide

C21H26ClN3O2 (387.17134460000005)

Pcera-1

[1-(3-Methoxyphenyl)-1-(octanoylamino)propan-2-yl] dihydrogen phosphate

C18H30NO6P (387.18106500000005)

Pyraclostrobin

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

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

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

(-)-14-O-Malonylindolactam-V

Chrotacumine B

31F508a1

Bioxalomycin alpha1

C25H25NO3 (387.18343400000003)

O-Methyltetradehydrotriphyophylline

(+)-O-Methyltetradehydrotriphyophylline

7beta-Hydroxycatuabine E

(+)-7beta-Hydroxycatuabine E

A natural product found in Marinactinospora thermotolerans.

Oprea1_090564

2-(1-(cyclohexylmethyl)-1H-indazole-3-carboxamido)-3-methylsuccinicacid

C22H26ClNO3 (387.16011160000005)

MCULE-3016112132

C22H17N3O2S (387.1041422)

Oprea1_323579

TEB_M388

C16H23ClN3O4P (387.1114638)

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

MMV688547

C21H21N7O (387.1807496)

TCMDC-125412

C22H21N5O2 (387.1695166)

MMV688407

C21H21N7O (387.1807496)

MMV688474

C21H21N7O (387.1807496)

Cyhexatin

C18H35OSn (387.170975)

D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

Saxoguattine

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)

SCHEMBL17866949

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

Dermacozine C

C22H17N3O4 (387.1219002)

7-Methoxydeacetoxycephalosporin C

C15H21N3O7S (387.1100156)

C22H17N3O4

C22H17N3O4 (387.1219002)

(+)-3alpha,6beta-diacetylbulbispermine

pestalamine A

Camptoneurine

C22H17N3O4 (387.1219002)

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

C18H29NO6S (387.17154940000006)

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

4-hydroxypenbutolol-4-sulfate

(-)-narcotolinol|Narcotolinol

C14H21N5O6S (387.12124860000006)

Merenskine

C18H26ClNO6 (387.1448566)

Glu Cys His

CAY10583

4-[[(1-oxopentyl)phenylamino]methyl]-[1,1-biphenyl]-2-carboxylic acid

C25H25NO3 (387.18343400000003)

Met Thr His

C15H25N5O5S (387.15763200000004)

VER-49009

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

C25H25NO3 (387.18343400000003)

JWH-081 N-(5-Hydroxypentyl)

His Thr Met

C15H25N5O5S (387.15763200000004)

Cys Glu His

C14H21N5O6S (387.12124860000006)

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

Pyraclostrobine

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

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].

terazosin

G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CA - Alpha-adrenoreceptor antagonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents

MMV020670

C22H21N5O2 (387.1695166)

HDMBOA + O-Hex

Annotation level-3

1,N6-4-Oxo-(2E)-nonenal-deoxyadenosine