Exact Mass: 369.1279722

C17H18F3N3O3 (369.13001940000004)

A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 1533

fleroxacin

6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones 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

6-Hydroxyprotopine

A dibenzazecine alkaloid that is protopine bearing a hydroxy substituent at the 6-position.

Corpaine

Corysolidine, (+)

Fumaricine

(1R,8S)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8-ol

Epanolol

N-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide

C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Same as: D06646

Homochelidonine

(+/-)-Homochelidonine

ARQ-197

Tivantinib (ARQ 197)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

Demethylluteothin

Amisulpride

4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulphonyl)-2-methoxybenzamide

C17H27N3O4S (369.1722182)

Amisulpride (trade name Solian) is an antipsychotic drug sold by Sanofi-Aventis. It is not approved for use in the United States, but is approved for use in Europe and Australia for the treatment of psychoses and schizophrenia. Additionally, it is approved in Italy for the treatment of dysthymia (under the brand name Deniban). Amisulpride is a selective dopamine antagonist. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive 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 N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Amisulpride is a dopamine D2/D3 receptor antagonist with Kis of 2.8 and 3.2 nM for human dopamine D2 and D3, respectively.

Ochratoxin B

2-{[hydroxy(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)methylidene]amino}-3-phenylpropanoic acid

Ochratoxin B is a metabolite of Aspergillus ochraceu

Romucosine D

Methyl 4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-10-carboxylic acid

Romucosine D is found in alcoholic beverages. Romucosine D is an alkaloid from Rollinia mucosa (biriba). Alkaloid from Rollinia mucosa (biriba). Romucosine D is found in alcoholic beverages and fruits.

Niazicinin

(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-(4-{[(methoxycarbonyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate

Niazicinin is a glucosinolate and a naturally occurring carbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans rotamer is named niazicinin A.

Isorheagenine

13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2(10),3,8,15(23),16,18(22)-hexaen-24-ol

Rhoeagenine is an alkaloid from Papaver rhoeas (corn poppy

7-Hydroxydehydroglaucine

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol

C21H20FNO4 (369.13762920000005)

7-Hydroxydehydroglaucine is found in beverages. 7-Hydroxydehydroglaucine is an alkaloid from Annona purpurea (soncoya). Alkaloid from Annona purpurea (soncoya). 7-Hydroxydehydroglaucine is found in beverages and fruits.

N-Deisopropyl-fluvastatin

(3S,5R,6E)-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

N-Deisopropyl-fluvastatin is only found in individuals that have used or taken Fluvastatin. N-Deisopropyl-fluvastatin is a metabolite of Fluvastatin. N-deisopropyl-fluvastatin belongs to the family of Indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.

Tripamide

N-[(1R,2S,6R)-4-Azatricyclo[5.2.1.0²,⁶]decan-4-yl]-4-chloro-3-sulphamoylbenzene-1-carboximidic acid

C16H20ClN3O3S (369.09138400000006)

Tripamide belongs to the family of Aromatic Monoterpenes. These are monoterpenes containing at least one aromatic ring. D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators

6-Hydroxy-R-acenocoumarol

4,6-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

6-Hydroxy-R-acenocoumarol is a metabolite of acenocoumarol. Acenocoumarol is an anticoagulant that functions as a vitamin K antagonist. It is a derivative of coumarin and is marketed under the brand names Sintrom and Sinthrome. (Wikipedia)

7-Hydroxy-R-acenocoumarol

4,7-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

7-Hydroxy-R-acenocoumarol is a metabolite of acenocoumarol. Acenocoumarol is an anticoagulant that functions as a vitamin K antagonist. It is a derivative of coumarin and is marketed under the brand names Sintrom and Sinthrome. (Wikipedia)

8-Hydroxy-R-acenocoumarol

4,8-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

8-Hydroxy-R-acenocoumarol is a metabolite of acenocoumarol. Acenocoumarol is an anticoagulant that functions as a vitamin K antagonist. It is a derivative of coumarin and is marketed under the brand names Sintrom and Sinthrome. (Wikipedia)

2-Chloro-N6-cyclopentyladenosine

2-[2-chloro-6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C18H18F3NO4 (369.11878640000003)

Etofenamate

2-(2-Hydroxyethoxy)-ethyl-N-(alpha,alpha,alpha-trifluoro- m-tolyl)anthranilate

M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

Galunisertib

4-(2-(6-Methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo(1,2-b)pyrazol-3-yl)quinoline-6-carboxylic acid amide

C22H19N5O (369.15895240000003)

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

Imrecoxib

4-(4-Methanesulphonylphenyl)-3-(4-methylphenyl)-1-propyl-2,5-dihydro-1H-pyrrol-2-one

C21H23NO3S (369.1398568000001)

2-[5-Methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid

2-(5-methoxy-2-methyl-1-{[4-(methylsulfanyl)phenyl]methyl}-1H-indol-3-yl)propanoic acid

C21H23NO3S (369.1398568000001)

D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids

Chloro-{methyl-[1-(2-methyl-5,6-dihydro-[1,4]oxathiin-3-yl)-methanoyl]-amino}-benzoic acid, isopropyl ester

C17H20ClNO4S (369.0801510000001)

(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid

Taspine

5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

6-methylthiohexyldesulfoglucosinolate

2-{[1-(hydroxyimino)-7-(methylsulphanyl)heptyl]sulphanyl}-6-(hydroxymethyl)oxane-3,4,5-triol

6-methylthiohexyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-methylthiohexyldesulfoglucosinolate can be found in a number of food items such as quinoa, chinese mustard, sweet basil, and green bean, which makes 6-methylthiohexyldesulfoglucosinolate a potential biomarker for the consumption of these food products.

Cryptopine

Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Cryptolepine-type alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.618 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.612

Tenellin

Papaverrubin A

N-Demethylisorheadine

3-Methoxy-7-acetylaegeline

Cassythic acid

(+)-Cassythic acid

5,6,7,7a-Tetrahydro-10-hydroxy-11-methoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-7-carboxylic acid methyl ester

5-{[2-imino-4-(4-methoxybenzyl)-1-methyl-1,2-dihydro-1H-imidazol-5-yl]methyl}-2-methoxy-1,3-benzenediol|naamine C

Papaverrubin E

1,9,10-trimethoxy-2,3-methylenedioxyaporphine

(-)-spiroleucettadine

Hydrastidine

Zanthosinamide

(-)-O7-demethyl-adlumine|(R)-6-((R)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-yl)-6H-furo[3,4:3,4]benzo[1,2-d][1,3]dioxol-8-one|severcine|Severtzin|severtzine

(+/-)-noradlumine|adlumine

Ara-C triacetate

Fagarine II

N,N-dimethyl-N-deacetyl-(-)-cornigerine

Alkaloid AM-3

Taxilamine

Dichotomide XI

A natural product found in Stellaria dichotoma var. lanceolata.

N-(4-methoxy-cis-cinnamoyl)-3-(4-methoxyphenyl)-L-alanine methyl ester

C17H23NO6S (369.12460180000005)

Porritoxin sulfonic acid

Polyberbine

N-Formyldemecolcin

C18H24ClNO5 (369.13429240000005)

C18H24ClNO5

fumarofine

10-Hydroxychelidonine

2,3-Dihydro-4-hydroxycapitavine|trihydroxy-5,7,4 (methyl-1 piperidinyl-2)-6 flavanone

Rubescenamide

C16H26Cl3NO2 (369.10290260000005)

axinyssimide B|axinyssimide C

Allocryptopine

7,8-DIMETHOXY-11-METHYL-17,19-DIOXA-11-AZATETRACYCLO[12.7.0.0?,?.0(1)?,(2)?]HENICOSA-1(14),4(9),5,7,15,20-HEXAEN-2-ONE

Allocryptopine is a dibenzazecine alkaloid, an organic heterotetracyclic compound, a tertiary amino compound, a cyclic ketone, a cyclic acetal and an aromatic ether. Allocryptopine is a natural product found in Zanthoxylum beecheyanum, Berberis integerrima, and other organisms with data available. See also: Sanguinaria canadensis root (part of). IPB_RECORD: 788; CONFIDENCE confident structure Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2]. Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2].

2-(2-hydroxy-4-methoxyphenyl)-5,8-dimethoxy-3-propyl-1h-quinolin-4-one

(+)-isomalbrancheamide B|(5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,5,6,11,12,12a,13-octahydro-1H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one|isomalbrancheamide B

D,L-malbrancheamide B

C21H23NO5

1,2-Dimethoxy-7-methyl-5H,6H,8H,11H,14H-benzo[1,2-4,5]azecino[9,8-2,1]benzo[4,5-d]1,3-dioxolan-15-one

cornigerine

turtschamide

Drahebephin A

((4,5-dichloro-1H-pyrrol-2-yl)-[2,4-dihydroxy-3-((S)-4-methylhexyl)phenyl]methanone)

C18H21Cl2NO3 (369.0898416)

(3R)-3-(5,8-dihydroxy-6-methoxy-2-methyl-4-oxo-4H-naphtho[2,3-b]pyran-10-yl)pyrrolidine-2,5-dione|(R)-10-(3-succinimidyl)-TMC-256A1

Drahebephin B

NSC312326

C20H19NO6

1,8-dihydroxy-6-(hydroxymethyl)-3-methoxy-2-(pyrrolidinium-2-yl) anthraquinone

allocyptopine

C14H27NO10 (369.16348819999996)

N-methyl-7-O-beta-D-glucopyranosyl-alpha-homonojirimycin

Spiduxine

1,2-Dimethoxy-6-methyl-5,7,8,15-tetrahydro-6H-benzo[c][1,3]dioxolo[4,5:4,5]benzo[1,2-g]azecin-14-one

aurodrosopterin

C15H15N9O3 (369.12978)

N-Formylduguevanine

Coryximine

Melosatin D

2,3-methanediyldioxy-4,6-dimethoxy-17-methyl-10a-homo-morphina-5,8(14)-dien-7-one|Alkaloid CC-20|alkaloid CC-20 (Colchicum cornigerum)

corphthaline

SCHEMBL21149386

(7Xi,8S)-8,6-dimethoxy-2-methyl-6,8,3,4-tetrahydro-2H-spiro[indeno[4,5-d][1,3]dioxole-7,1-isoquinolin]-7-ol|Fumaritridin

azaspirene

Paraensine

dioxindole-3-acetyl-3-O-beta-glucose

mecambridine

8,9,13-trimethoxy-14-methyl-5,6,11,12-tetrahydro-5,11-epiazano-benzo[5,6]cycloocta[1,2:4,5]benzo[1,2-d][1,3]dioxole

Cryptopin

NSC89645

Tyr Thr Ser

Gly Met Tyr

His Asp Val

ACMC-20mv1w

Asp Val His

Ser Thr Tyr

His Val Asp

Asp His Val

Met Gly Tyr

Threonyltyrosylserine

Tyr Met Gly

Met Tyr Gly

Tenovin-1

N-[[[4-(acetylamino)phenyl]amino]thioxomethyl-4-(1,1-dimethylethyl)]-benzamide

Tenovin-1, a p53 activator, protects p53 from MDM2-mediated degradation. Tenovin-1 acts through inhibition of the protein-deacetylating activities of SirT1 and SirT2. Tenovin-1 is also a dihydroorotate dehydrogenase (DHODH) inhibitor[1][2].

Gly Tyr Met

Val His Asp

Val Asp His

Phe Cys Thr

Tyr Ser Thr

Thr Phe Cys

6-(methylsulfanyl)hexyl-desulfoglucosinolate

7-hydroxy-2-oxindole-3-acetate glucoside

Palmatine

2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;hydroxide

Palmatine hydroxide 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 hydroxide can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine hydroxide shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities[1][2][3][4][5]. Palmatine hydroxide 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 hydroxide can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine hydroxide shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities[1][2][3][4][5].

Lycoramine HBr

(1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol;hydrobromide

N-formylglaucine

(+)-N-Formylnorglaucine

C17H27N3O4S (369.17221820000003)

amisulpride

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive 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 N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; EAWAG_UCHEM_ID 2852 EAWAG_UCHEM_ID 2852; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2142 Amisulpride is a dopamine D2/D3 receptor antagonist with Kis of 2.8 and 3.2 nM for human dopamine D2 and D3, respectively.

fleroxacin

Fleroxacin (Quinodis)

C17H18F3N3O3 (369.13001940000004)

CRYPTOPINE

NCGC00017386-03!CRYPTOPINE

Fontanesine B

4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid

NCGC00347508-02!4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid

4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid

NCGC00347498-02!4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid

NCGC00180546-03

NCGC00180546-03!

C21H23NO5

NCGC00385306-01_C21H23NO5_

2-Chloro-N6-cyclopentyladenosine

2-Chloro-N(6)-cyclopentyladenosine

ccpa

2-Chloro-N6-cyclopentyladenosine

C19H14N5F3 (369.12012400000003)

CCPA (2-Chloro-N6-cyclopentyladenosine) is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

MMV032967

OCHRATOXIN B

2-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-phenylpropanoic acid

A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid. Ochratoxin B differs from the more naturally abundant ochratoxin A in the absence of the dihydroisocoumarin chlorine atom. It has cytotoxic effects on kidney and liver cells in vitro but only minor effects in vivo, due to its rapid metabolism and excretion. It inhibits cell proliferation of human liver HepG2 cells at doses as low as 1 mug/ ml but lacks the genotoxic activity of ochratoxin A, even at higher concentrations. D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium verrucosum

Diacetylmorphine (Heroin)

CONFIDENCE standard compound; INTERNAL_ID 1533

Fagarine I

Allocryptopine

Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids, Cryptopine alkaloids Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2]. Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2].

4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based: Match]

NCGC00347498-02!4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based: Match]

4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848675]

NCGC00347498-02!4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848675]

Gly Phe Phe

Thr Tyr Ser

Phe Cys Thr

Cys Thr Phe

Phe Gly Phe

Ser Tyr Thr

Met Gly Tyr

Tyr Met Gly

Met Tyr Gly

Diethylpropion(metabolite X-glucuronide)

Cys Phe Thr

Thr Phe Cys

7-Desmethylprazosin

6-Desmethylprazosin

Phe Phe Gly

Phe Thr Cys

Thr Ser Tyr

Gly Tyr Met

Thr Cys Phe

Tyr Gly Met

Gly Met Tyr

C21H20FNO4 (369.13762920000005)

(3R,5S,6E)-rel-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-Heptenoic acid

PC(3:0/3:0)

3,5,9-Trioxa-4-phosphadodecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-(1-oxopropoxy)-, inner salt, 4-oxide, (R)-

Dipropionylphosphatidylcholine

3,5,9-Trioxa-4-phosphadodecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-(1-oxopropoxy)-, inner salt, 4-oxide

2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]- (Acenocoumarol metaboli

2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]- (Acenocoumarol metabolit

Gly-Trp-OH

(S)-2-(3-hydroxy-4-nitrobenzamido)-3-(1H-indol-3-yl)propanoic acid

C18H15N3O6 (369.096081)

Lys-Asp-OH

(S)-2-(3-(4-aminobutoxy)-4-nitrobenzamido)pentanedioic acid

Thr-Lys-OH

Asp-Lys-OH

(S)-7-amino-2-(3-(carboxymethoxy)-4-nitrobenzamido)heptanoic acid

Thaspine

Homapin

3-[(2-hydroxy-2-phenylacetyl)oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide

A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds Homatropine methylbromide (Homatropine methobromide) is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors of WKY-E and SHR-E with IC50 of 162.5 nM and 170.3 nM, respectively.

Isorheagenine

13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0^{2,10}.0^{4,8}.0^{15,23}.0^{18,22}]pentacosa-2,4(8),9,15,17,22-hexaen-24-ol

Niazicinin A

4,5-dihydroxy-6-(4-{[(methoxycarbonyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate

7-Hydroxydehydroglaucine

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2,4,6,8,13(17),14-heptaen-8-ol

Romucosine D

methyl 4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate

C16H20ClN3O3S (369.09138400000006)

Normonal

N-[(1R,2S,6R)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]-4-chloro-3-sulfamoylbenzene-1-carboximidic acid

D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators

3-C-[({2-[(3-Carboxypropanoyl)amino]benzyl}oxy)carbonyl]-1,5-dideoxypentitol

3-C-[({2-[(3-Carboxypropanoyl)amino]benzyl}oxy)carbonyl]-1,5-dideoxy-L-arabinitol

PC 6:0

1,2-dipropionyl-sn-glycero-3-phosphocholine

Fmoc-D-Glu-OH

C20H20FN3OS (369.13110420000004)

methyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoate

C24H19NO3 (369.1364864000001)

Acetamide, 2-[[2-(4-fluorophenyl)-7-methyl-4-quinazolinyl]thio]-N-(1-methylethyl)- (9CI)

Acetamide, N-cycloheptyl-2-[(5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]- (9CI)

C19H23N5OS (369.1623228)

[4-(4-chloro-phenyl)-piperazin-1-yl]-(1h-indol-2-yl)-acetic acid

C20H20ClN3O2 (369.12439700000004)

2-{[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]SULFONYL}BENZOICACID

C17H23NO6S (369.12460180000005)

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-(15N)glutamic acid

(4R)-4-{[tert-Butyl(diphenyl)silyl]oxy}-L-proline

C21H27NO3Si (369.1760112)

ETHYL 6-AMINO-5-CYANO-2-METHYL-4-(4-MORPHOLINOPHENYL)-4H-PYRAN-3-CARBOXYLATE

(2-Pyridinyl)tributylstannane

C17H31NSn (369.1478356)

Fmoc-Asp-Ome

2,6-Bis[(4S)-phenyl-2-oxazolin-2-yl]pyridine

2,5-Pyrrolidinedione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-, (3S,4S)

N4-(3-aminophenyl)-5-fluoro-N2-(4-(2-methoxyethoxy)phenyl)pyrimidine-2,4-diamine

C19H20FN5O2 (369.1600952)

Boc-D-Pen(pMeOBzl)-OH

tert-Butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate

alpha,alpha-bis[4-(dimethylamino)phenyl]-4-(ethylamino)naphthalene-1-methanol

tert-butyl 3-((p-tolylsulfonyloxy)Methyl)piperidine-1-carboxylate

C17H19BF3NO2S (369.11815800000005)

4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

BOC-(R)-3-AMINO-4-PENTAFLUOROPHENYLBUTANOIC ACID

C15H16F5NO4 (369.0999436)

Gallium,tris(2,4-pentanedionato-kO,kO)-, (OC-6-11)- (9CI)

C15H24GaO6 (369.0828614)

(R)-3-(Tosyloxymethyl)-N-Boc-piperidine

C18H15N3O4S (369.07832300000007)

Disperse Yellow Se-Fl

RU58841

C17H18F3N3O3 (369.13001940000004)

3-METHYLCYTIDINE METHOSULFATE

C11H19N3O9S (369.0841964)

diethyl 1-tosylpyrrolidine-2,5-dicarboxylate

C17H23NO6S (369.12460180000005)

3-(Tributylstannyl)pyridine

C17H31NSn (369.1478356)

4-(TERT-BUTOXYCARBONYLAMINO)-1-[(6-BROMOPYRIDIN-2-YL)METHYL]PIPERIDINE

C16H24BrN3O2 (369.1051784)

Fmoc-Ser(Ac)-OH

Boc-Pen(Mob)-OH

Boc-L-4-benzoylphenylalanine

Fmoc-Glu-OH

8,14-Dihydro-14-methyl-11-(trifluoromethyl)-indolo[2,3:3,4]pyrido[2,1-b]quinazolin-5(7H)-one

C20H14F3N3O (369.108891)

BOC-(S)-3-AMINO-4-PENTAFLUOROPHENYLBUTANOIC ACID

C15H16F5NO4 (369.0999436)

(+)-Egenine

Fmoc-Asp(OMe)-OH

C18H28BrNO2 (369.13032880000003)

5-azido-1,3-dimethyl-6-nitro-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C15H11N7O5 (369.0821636)

Dextromethorphan Hydrobromide Monohydrate

D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents

ETHYL 5-HYDROXY-8-(2-METHOXYETHYL)-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

C17H19MgN3O3S (369.09975640000005)

Omeprazole magnesium

Disperse Yellow 56

C21H15N5O2 (369.122569)

ethyl 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxylate

C20H19NO4S (369.1034734000001)

N-[6-(1H-indazol-5-yl)naphthalen-2-yl]thiophene-2-carboxamide

C22H15N3OS (369.09357800000004)

N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide

C22H15N3OS (369.09357800000004)

N-[6-(1H-indazol-5-yl)naphthalen-2-yl]thiophene-3-carboxamide

C22H15N3OS (369.09357800000004)

Fmoc-D-Asp-OMe

Azaphen

C16H21Cl2N5O (369.1123076)

Thiazolidine, 2-(4-methylphenyl)-3-(1-naphthalenylsulfonyl)- (9CI)

C20H19NO2S2 (369.0857154)

Thiazolidine, 2-(4-methylphenyl)-3-(2-naphthalenylsulfonyl)- (9CI)

C20H19NO2S2 (369.0857154)

Hyoscyamine Hydrobromide

C8H28Cl5N5 (369.07872380000003)

ADX-47273

C20H17F2N3O2 (369.1288766)

ADX-47273 is a potent, selective and brain-penetrant mGluR5 positive allosteric modulator (PAM), with an EC50 of 0.17 μM for potentiation of glutamate (50 nM) response. ADX-47273 has antipsychotic and procognitive activities[1][2].

Tetraethylenepentamine Pentahydrochloride

4-(6-acetyl-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidin-5-yl)benzoic acid

C17H20ClNO4S (369.0801510000001)

tricyclohexyltin hydride

Stannane, tricyclohexyl-

C18H33Sn (369.1604108)

3,4-Dibenzyloxyphenethylamine hydrochloride

C22H24ClNO2 (369.1495474)

3-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester hydrochloride

1,1,2,3-tetramethyl-1H-benzo[e]indolium hexafluorophosphate(V)

C16H18N.F6P (369.108099)

Boc-D-4-benzoylphenylalanine

C19H28ClNO4 (369.1706758000001)

Dodecyl 4-chloro-3-nitrobenzoate

6,7-bis(2-methoxyethoxy)-N-phenylquinazolin-4-amine

2-(2,4-dihydroxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine

C20H20ClN3O2 (369.12439700000004)

C.I. Basic Yellow 40

(1R,4R)-4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXYL 4-METHYLBENZENESULFONATE

1(2H)-PyriMidineacetic acid, 4-[bis[(1,1-diMethylethoxy)carbonyl]aMino]-2-oxo-

2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine

4-Cyanobiphenyl-4-pentylbenzoate

C25H23NO2 (369.1728698)

4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZENESULFONYL]-THIOMORPHOLINE

C16H24BNO4S2 (369.1239734)

tert-butyl 4-[(4-bromophenyl)methoxy]piperidine-1-carboxylate

4-(Tributylstannyl)pyridine

C17H31NSn (369.1478356)

Ac-Phe-Tyr-NH2

(+)-Corlumidine

C23H16ClN3 (369.10326860000004)

1-(anthracen-9-ylmethyl)-4-(2-chlorophenyl)triazole

Bromo-WR99210

C14H20BrN5O2 (369.080028)

Deudextromethorphan hydrobromide

C18H28BrNO2 (369.13032880000003)

C78272 - Agent Affecting Nervous System

Yelfbsbofkwhsl-qdpfkyggsa-

2-[(8-Hydroxy-3-methyl-1-oxoisochroman-7-carbonyl)amino]-3-phenylpropionic acid

Chrysobactin

C16H17F2N3O3S (369.09586360000003)

A catechol-type siderophore with a structure of D-lysyl-L-serine substituted on N(2) of the lysyl residue by a 2,3-dihydroxybenzoyl group. It is produced by the Gram-negative bacillus Dickeya dadantii (previously known as Erwinia chrysanthem). Only the catecholate hydroxyl groups participate in metal coordination, so chrysobactin cannot provide full 1:1 coordination of Fe(III); at neutral pH and concentrations of about 0.1 mM, ferric chrysobactin exists as a mixture of bis and tris complexes.

Mmp-9-IN-1

4-[5-(2-Phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester

(2,5-dioxopyrrolidin-3-yl) N-[(4-methoxyphenyl)methyl]-N-phenylcarbamimidothioate

Glycylphenylalanylphenylalanine

Tyr-Met-Gly

L-Phenylalanine, L-phenylalanylglycyl-

6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C17H19N7OS (369.1371724)

2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile

Phenylalanyl-phenylalanyl-glycine

C21H20ClNO3 (369.1131640000001)

JWH 203 N-pentanoic acid metabolite

L-Threonyl-L-seryl-L-tyrosine

C20H20ClN3S (369.1066390000001)

8-(2,5-Dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine

C19H20FN5O2 (369.1600952)

N-(4-{2-[(3-Chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide

(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol

C19H23N5OS (369.1623228)

N-(4-(5-((1H-Benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-YL)guanidine

C16H15N7S2 (369.083031)

2-{5-[Amino(iminio)methyl]-6-chloro-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate

C20H20ClN3O2 (369.12439700000004)

Homatropine Methylbromide

C18H18F3NO4 (369.11878640000003)

A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Homatropine methylbromide (Homatropine methobromide) is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors of WKY-E and SHR-E with IC50 of 162.5 nM and 170.3 nM, respectively.

Etofenamate

Galunisertib

C22H19N5O (369.15895240000003)

Epanolol

ICI141292

C19H14F3N5 (369.12012400000003)

N-(pyridin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-4-amine

2-[[6-Amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid

(2E)-3-[(2R,3R)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate

3alpha-Sulfooxy-5alpha-androstan-17-one

(2E)-3-[(2S,3S)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate

7-(beta-D-glucosyloxy)-2-oxindole-3-acetic acid

L-arginyl-4-hydroxy-5-phosphonopentanoate

C11H24N5O7P (369.1413284)

6-(Methylthio)hexyl-desulfoglucosinolate

Parthenolide-cysteine

Dehydrodiconiferyl acid ketone

Iso-dehydrocycloxanthohumol hydrate

C21H21O6- (369.1338066)

2-[2-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid

2-[[6-Azaniumyl-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoate

(2R)-2-amino-3-[[(1S,2R,4R,7E,11S)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-12-yl]methylsulfanyl]propanoic acid

2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-hydroxy-5-phosphonopentanoic acid

C11H24N5O7P (369.1413284)

2-[2-oxo-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid

(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid

6-methylthiohexyldesulfoglucosinolate

C16H20ClN3O3S (369.09138400000006)

Tripamide

D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D049990 - Membrane Transport Modulators

malbrancheamide B

(+)-Isomalbrancheamide B

Canadaline

A natural product found in Corydalis cava and Hydrastis canadensis.

Norsolorinate(1-)

An organic anion obtained by selective deprotonation of the 2-hydroxy group of norsolorinic acid.

N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide

6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine

C14H19N5O3S2 (369.09292639999995)

N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide

C19H19N3OS2 (369.0969484)

2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)acetamide

N-(2,4-dimethylphenyl)sulfonyl-2-(1-naphthalenyloxy)acetamide

C20H19NO4S (369.1034734000001)

2-[[1-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester

C17H15N5O3S (369.089556)

H-Thr-tyr-ser-OH

4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester

C15H19N3O6S (369.0994514)

9-Methoxy-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline

2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone

2-[(2-acetamido-1-oxoethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide

N-[4-({2-[(2,5-dimethylphenoxy)acetyl]hydrazino}carbonyl)phenyl]propanamide

C18H15N3O4S (369.07832300000007)

(E)-3-[5-(4-Acetyl-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid

5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide

C21H21F2N3O (369.16526)

Isopropyl (3-oxo-1-{[(2-thienylcarbonyl)amino]carbonothioyl}-2-piperazinyl)acetate

C15H19N3O4S2 (369.0816934)

N4-(4-Fluorophenyl)-N5-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide

C17H12FN5O4 (369.08732840000005)

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

3,4,5-trimethoxy-N-[2-(1-methyl-2-benzimidazolyl)ethyl]benzamide

2-methoxy-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide

3-Oxo-5alpha-androstan-17beta-yl sulfate

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-quinolinecarboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-quinolinecarboxamide

6-linalyl-2-O,3-dimethylflaviolin-7-olate

C22H25O5- (369.17019)

An organic anion that is the conjugate base of 6-linalyl-2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

2,4-dimethyl-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide

C16H20FN3O4S (369.11584920000007)

5-(4-Fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazole

5-[(2-Chlorophenyl)methylamino]-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile

C19H16ClN3O3 (369.08801360000007)

2-[2-(3-Cyano-4-methoxymethyl-6-methyl-2-oxo-2H-pyridin-1-yl)-acetylamino]-benzoic acid methyl ester

2-[[5-[(2-Methyl-8-quinolinyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide

C18H19N5O2S (369.1259394)

5-[[2-(Diethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione

C22H13N2O4- (369.08752780000003)

didemethylasterriquinone D(1-)

3-nitro-4-(2-oxolanylmethylamino)-N-(2-phenylethyl)benzamide

N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide

C18H19N5O2S (369.1259394)

2-(benzotriazol-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(4-methylphenyl)-2-pyrrolidinecarboxamide

C18H19N5O2S (369.1259394)

17-Oxo-5alpha-androstan-3beta-yl sulfate

(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione

C24H19NO3 (369.1364864000001)

2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide

N-ethyl-3-(1H-indol-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide

4-[(Z)-N-anilino-C-(quinolin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol

Androstenediol 3-sulfate(1-)

4-[2-[[(3S)-2,3-Dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid

Nedocromil(2-)

C19H15NO7-2 (369.084848)

5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide

C14H27NO10 (369.16348819999996)

2-O-(N-acetyl-alpha-D-galactosaminyl)-L-fucitol

A 2-deoxy-D-galactoside consisting of N-acetyl-D-galactosamine attached to L-fucitol via an alpha-(1->2)-linkage.

Ser-Thr-Tyr

Gly-Tyr-Met

Cys-Thr-Phe

Thr-Phe-Cys

C22H23F2N2O+ (369.17783519999995)

1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

N-[3-(1-imidazolyl)propyl]-2-phenyl-4-benzofuro[3,2-d]pyrimidinamine

C22H19N5O (369.15895240000003)

6-(Methylthio)hexyldesulfoglucosinolate

An omega-(methylsulfany)alkyl desulfoglucosinolate in which the omega-(methylsulfanyl)alkyl group is specified as 6-(methylsulfanyl)hexyl.

8-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-9H-purin-6-amine

C17H19N7OS (369.1371724)

(5E)-5-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide

N-[[(2R,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide

N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide

cyclopropyl-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone

N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide

N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide

N-[[(2R,3R,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide

cyclopropyl-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone

cyclopropyl-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone

Tyr-Thr-Ser

Asp-His-Val

Phe-Cys-Thr

Phe-Thr-Cys

Ser-Tyr-Thr

Thr-Cys-Phe

Asp-Val-His

Cys-Phe-Thr

Gly-Met-Tyr

His-Asp-Val

His-Val-Asp

Met-Gly-Tyr

Met-Tyr-Gly

Tyr-Gly-Met

Tyr-Ser-Thr

Val-Asp-His

Val-His-Asp

C22H15N3O3 (369.11133600000005)

Erdasporine A

A organic heterohexacyclic compound that is 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogens at positions 5 and 10 are substituted by a methoxycarbonyl and hydroxy groups, respectively. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus.

Erdasporine C

C22H15N3O3 (369.11133600000005)

An organic heterohexacyclic compound that is 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogens at positions 5 and 7 are substituted by a methoxycarbonyl and oxo groups, respectively. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus.

(E)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide

(5Z)-1-Prop-2-enyl-5-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Carbonic acid [4-[2-(ethoxycarbonylamino)ethyl]-2-ethoxycarbonyloxyphenyl] ethyl ester

C14H27NO10 (369.16348819999996)

N-[(2S,3R,4S,5R)-1,3,4,5-Tetrahydroxy-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

2-Hydroxy-2,2-di(1-hydroxyethyl)acetic acid 2-(4-hydroxy-4-oxobutanoylamino)benzyl ester

2,3-Di(propanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Lnape 2:0/N-7:0

Lnape 3:0/N-6:0

Lnape 7:0/N-2:0

Lnape 6:0/N-3:0

Lnape 4:0/N-5:0

Lnape 5:0/N-4:0

C24H25Si2 (369.14947099999995)

8-Trimethylsilyl-1-(methyl(1-naphthyl)silyl)naphthalene

(3-Acetyloxy-2-butanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] heptanoate

[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] hexanoate

[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] pentanoate

C21H20FNO4 (369.13762920000005)

N-Deisopropyl-fluvastatin

6-Hydroxy-R-acenocoumarol

(S)-7-Hydroxyacecoumarol

8-Hydroxy-R-acenocoumarol

1,2-dipropionyl-sn-glycero-3-phosphocholine

C19H29O5S (369.17356040000004)

5alpha-dihydrotestosterone sulfate(1-)

A steroid sulfate oxoanion that is the conjugate base of 5alpha-dihydrotestosterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.

(-)-DCA-CL(1-)

C20H17O7 (369.0974232)

A monocarboxylic acid anion that is the conjugate base of (-)-DCA-CL, obtained by deprotonation of the carboxy group; major species at pH 7.3.

(+)-DCA-CL(1-)

C20H17O7 (369.0974232)

A monocarboxylic acid anion that is the conjugate base of (+)-DCA-CL, obtained by deprotonation of the carboxy group; major species at pH 7.3.

androsterone sulfate(1-)

C19H29O5S (369.17356040000004)

A steroid sulfate oxoanion that is the conjugate base of androsterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.

Gly-Phe-Phe

A tripeptide composed of one glycine and two L-phenylalanine residues joined in sequence

7-hydroxy-2-oxindole-3-acetic acid beta-D-glucoside

C18H25NO.BrH.H2O (369.13032880000003)

A member of the class of oxindoles that is 7-hydroxy-2-oxindole-3-acetic acid in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue.

Dextromethorphan Hydrobromide

epiandrosterone sulfate(1-)

C19H29O5S (369.17356040000004)

A steroid sulfate oxoanion that is the conjugate base of epiandrosterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.

PC 3:0/3:0

C12H20NO10P (369.08247900000003)

LPE 7:3;O3

LPE 8:2;O2

C13H24NO9P (369.1188624)

LPE 9:1;O

C12H20NO10P (369.08247900000003)

LPS 6:2;O

Phe-Gly-Phe

Phe-Phe-Gly

Thr-Ser-Tyr

Thr-Tyr-Ser