Exact Mass: 369.15761480000003

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

Corydalin

(+)-Corydaline

D004791 - Enzyme Inhibitors Corydaline ((+)-Corydaline), an isoquinoline alkaloid isolated from Corydalis yanhusuo, is an AChE inhibitor with an IC50 of 226 μM. Corydaline is a μ-opioid receptor (Ki of 1.23 μM) agonist and inhibits enterovirus 71 (EV71) replication (IC50 of 25.23 μM). Corydaline has anti-angiogenic, anti-allergic and gastric-emptying and antinociceptive activities[1][2][3]. Corydaline ((+)-Corydaline), an isoquinoline alkaloid isolated from Corydalis yanhusuo, is an AChE inhibitor with an IC50 of 226 μM. Corydaline is a μ-opioid receptor (Ki of 1.23 μM) agonist and inhibits enterovirus 71 (EV71) replication (IC50 of 25.23 μM). Corydaline has anti-angiogenic, anti-allergic and gastric-emptying and antinociceptive activities[1][2][3]. Corydaline ((+)-Corydaline), an isoquinoline alkaloid isolated from Corydalis yanhusuo, is an AChE inhibitor with an IC50 of 226 μM. Corydaline is a μ-opioid receptor (Ki of 1.23 μM) agonist and inhibits enterovirus 71 (EV71) replication (IC50 of 25.23 μM). Corydaline has anti-angiogenic, anti-allergic and gastric-emptying and antinociceptive activities[1][2][3].

6-Hydroxyprotopine

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

Thalicsessine

21-(2-Hydroxyethyl)-6,21-secohetisan-6,11,19-trione

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

Trimetrexate

5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine

A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against pneumocystis pneumonia in AIDS patients. Myelosuppression is its dose-limiting toxic effect. [PubChem] P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D06238

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

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.

2-Chloro-N6-cyclopentyladenosine

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

5-Fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole

3-(3-(4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-5-fluoro-1H-indole hydrochloride

C20H24FN5O (369.1964786)

Bulaquine

3-[1-({4-[(6-methoxyquinolin-8-yl)amino]pentyl}amino)ethylidene]oxolan-2-one

Corydalin

3,4,10,11-tetramethoxy-13-methyl-7,8,12b,13-tetrahydro-5H-6-azatetraphene

C18H18F3NO4 (369.11878640000003)

D004791 - Enzyme Inhibitors

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

(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.

Corydaline

6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)- (9CI)

Corydaline is an isoquinoline alkaloid and a member of isoquinolines. Corydaline is a natural product found in Corydalis remota, Corydalis saxicola, and other organisms with data available. D004791 - Enzyme Inhibitors Corydaline ((+)-Corydaline), an isoquinoline alkaloid isolated from Corydalis yanhusuo, is an AChE inhibitor with an IC50 of 226 μM. Corydaline is a μ-opioid receptor (Ki of 1.23 μM) agonist and inhibits enterovirus 71 (EV71) replication (IC50 of 25.23 μM). Corydaline has anti-angiogenic, anti-allergic and gastric-emptying and antinociceptive activities[1][2][3]. Corydaline ((+)-Corydaline), an isoquinoline alkaloid isolated from Corydalis yanhusuo, is an AChE inhibitor with an IC50 of 226 μM. Corydaline is a μ-opioid receptor (Ki of 1.23 μM) agonist and inhibits enterovirus 71 (EV71) replication (IC50 of 25.23 μM). Corydaline has anti-angiogenic, anti-allergic and gastric-emptying and antinociceptive activities[1][2][3]. Corydaline ((+)-Corydaline), an isoquinoline alkaloid isolated from Corydalis yanhusuo, is an AChE inhibitor with an IC50 of 226 μM. Corydaline is a μ-opioid receptor (Ki of 1.23 μM) agonist and inhibits enterovirus 71 (EV71) replication (IC50 of 25.23 μM). Corydaline has anti-angiogenic, anti-allergic and gastric-emptying and antinociceptive activities[1][2][3].

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

Belactosin A

C17H27N3O6 (369.1899762)

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

Spirasine III

9-Hydroxyspiredine

(+)-Calcaridine A

Jacoline

A pyrrolizine alkaloid obtained from senecionine by formal addition of hydrogen peroxide across the ethylidene double bond.

(?)-Spirocalcaridine B

taspine

Thalimonine

(-)-Pyridovericin

Dihydroleptopine

7,8-Dihydro-8-hydroxypalmatine

Corlumidine

grandisinine

Fissumine

Megistophylline I

Neocarazostatin A

NCGC00385306-01

(+)-Madindoline B

Epocarbazolin A

Globiferine

Rosmarinine N-oxide

Thalicthuberine N-oxide

Leptopidine

2-(2-Hydroxy-4-methoxyphenyl)-5,8-dimethoxy-3-propyl-4(1H)-quinolinone

AG-G-68328

C20H20FN3O3 (369.14886220000005)

SCHEMBL21178773

1-(cyclohexylmethyl)-N-(4,4-dimethyl-2-oxotetrahydrofuran-3-yl)-1h-indazole-3-carboxamide

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

C19H14F3N5 (369.12012400000003)

MMV032967

(S)-1-hydroxy-N-methylcanadine

(-)-corydecumbine|Corydecumbine

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

Axillarine

Hydrastidine

Zanthosinamide

(12Xi,13Xi,14Xi,15Xi)-12,15,18-Trihydroxy-14-methyl-15,20-dihydro-21-nor-senecionan-11,16-dion|(12Xi,13Xi,14Xi,15Xi)-12,15,18-trihydroxy-14-methyl-15,20-dihydro-21-nor-senecionan-11,16-dione|12,15,18-trihydroxy-14xi-methyl-(12xiH,13xiH,15xiH)-15,20-dihydro-21-nor-senecionane-11,16-dione|Sceleratin

(12Xi,13Xi,14Xi,15Xi)-12,15,18-Trihydroxy-14-methyl-15,20-dihydro-21-nor-senecionan-11,16-dion|(12Xi,13Xi,14Xi,15Xi)-12,15,18-trihydroxy-14-methyl-15,20-dihydro-21-nor-senecionan-11,16-dione|12,15,18-trihydroxy-14xi-methyl-(12xiH,13xiH,15xiH)-15,20-dihydro-21-nor-senecionane-11,16-dione|Sceleratin

(-)-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

STK370496

Taxilamine

Dichotomide XI

A natural product found in Stellaria dichotoma var. lanceolata.

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

(+/-)-celafurine|9-(furan-3-carbonyl)-2-phenyl-1,5,9-triaza-cyclotridecan-4-one|Celafurin

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

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

Uvariopsamine

neocroalbidinone

NSC312326

C20H19NO6

2-benzamido-1-(4-methoxyphenyl)ethyl hexanoate|zanthorhetsamide

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

Sceleratine

Syneilesine

azaspirene

.alpha.-Coralydine

Paraensine

C18H27NO7

didehydrotuberostemonine A|rel-(8R,8aS,11S,11aR)-8-ethyl-5,6,8,8a,11,11a-hexahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxofuran-2-yl]azepino[3,2,1-hi]furo[3,2-e]indol-10(4H)-one

dihydroxytriangularine

C22H27NO4

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 Leu His

Ser Thr Tyr

Leu Ser His

His Val Asp

Thr His Ile

Asp His Val

Met Gly Tyr

Threonyltyrosylserine

Tyr Met Gly

Leu His Ser

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

His Ile Thr

Phe Cys Thr

Thr Ile His

Tyr Ser Thr

His Leu Ser

Ile His Thr

His Ser Leu

Ile Thr His

Thr Phe Cys

6-(methylsulfanyl)hexyl-desulfoglucosinolate

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].

N-formylglaucine

(+)-N-Formylnorglaucine

amisulpride

C17H18F3N3O3 (369.13001940000004)

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)

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

(+)-Corydaline

Annotation level-1

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]

His Thr Leu

Gly Phe Phe

Thr Tyr Ser

Phe Cys Thr

Cys Thr Phe

Phe Gly Phe

Leu Thr His

Ser Tyr Thr

Met Gly Tyr

Tyr Met Gly

Met Tyr Gly

His Thr Ile

Diethylpropion(metabolite X-glucuronide)

Cys Phe Thr

Thr Phe Cys

7-Desmethylprazosin

6-Desmethylprazosin

Phe Phe Gly

Phe Thr Cys

Thr His Leu

Thr Ser Tyr

Gly Tyr Met

Thr Leu His

Thr Cys Phe

Leu His Thr

His Leu Thr

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

PC(7:0/0:0)

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

PC(7:0/0:0)[U]

3,5,9-Trioxa-4-phosphahexadecan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide

PC(0:0/7:0)

3,5,8-Trioxa-4-phosphapentadecan-1-aminium, 4-hydroxy-7-(hydroxymethyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (R)-

PC(0:0/7:0)[U]

3,5,8-Trioxa-4-phosphapentadecan-1-aminium, 4-hydroxy-7-(hydroxymethyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide

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

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

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

LPC 7:0

2-heptanoyl-sn-glycero-3-phosphocholine

Fmoc-D-Glu-OH

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

C24H19NO3 (369.1364864000001)

2-(2-ethylhexyl)-6,7-dimethoxy-1H-benz[de]isoquinoline-1,3(2H)-dione

C20H20FN3OS (369.13110420000004)

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)

(3-(carbazole-9H)Phenyl)Pinacol ester

n(alpha) n-(im)-di-boc-l-histidine

C17H27N3O6 (369.1899762)

Boc-D-Pen(pMeOBzl)-OH

ERYTHRO-N-BOC-O-BENZYL-L-TYROSINE EPOXIDE

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

9-Phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid

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

C17H18F3N3O3 (369.13001940000004)

RU58841

diethyl 1-tosylpyrrolidine-2,5-dicarboxylate

C17H23NO6S (369.12460180000005)

3-(Tributylstannyl)pyridine

C17H31NSn (369.1478356)

9-Phenyl-9H-carbazole-3-boronic acid pinacol ester

Anidoxime

Pirodavir

C254 - Anti-Infective Agent > C281 - Antiviral Agent

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)

Tetrabutylammonium iodide

C16H36IN (369.1892366)

D013501 - Surface-Active Agents > D003902 - Detergents

(+)-Egenine

Fmoc-Asp(OMe)-OH

C23H28ClNO (369.18593080000005)

1-(4-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER

BIS(TRIETHOXYSILYLMETHYL)AMINE

C14H35NO6Si2 (369.200281)

9-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole

st50307358

C18H28BrNO2 (369.13032880000003)

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

Disperse Yellow 56

C21H15N5O2 (369.122569)

Fmoc-D-Asp-OMe

Fmoc-Ser(tBu)-OL

Azaphen

C16H21Cl2N5O (369.1123076)

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].

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

tricyclohexyltin hydride

Stannane, tricyclohexyl-

C18H33Sn (369.1604108)

3,4-Dibenzyloxyphenethylamine hydrochloride

C22H24ClNO2 (369.1495474)

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

5-Amino-1-Boc-3,4,5,6-tetrahydro-2H-[2,4]bipyridinyl oxalate

C17H27N3O6 (369.1899762)

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

C20H20ClN3O2 (369.12439700000004)

C.I. Basic Yellow 40

Saxagliptin hydrochloride Monohydrate

C18H25N3O2.HCl.H2O (369.18190880000003)

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

1-(4-(2-methyl-6-oxopiperidin-1-yl)phenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one

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)

4-(Tributylstannyl)pyridine

C17H31NSn (369.1478356)

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate

Ac-Phe-Tyr-NH2

(+)-Corlumidine

Nicainoprol

C18H28BrNO2 (369.13032880000003)

(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone

C21H24FN3O2 (369.1852456)

Deudextromethorphan hydrobromide

C78272 - Agent Affecting Nervous System

Yelfbsbofkwhsl-qdpfkyggsa-

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

Bulaquine

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

Chrysobactin

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.

(15alpha,20R)-12,15,20-Trihydroxy-15,20-dihydrosenecionan-11,16-dione

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

2-Amino-1-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester

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

C20H20ClN3O2 (369.12439700000004)

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

C19H20FN5O2 (369.1600952)

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

C19H23N5OS (369.1623228)

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

D-Phenylalanyl-N-(3-Fluorobenzyl)-L-Prolinamide

C21H24FN3O2 (369.1852456)

trimetrexate

C18H18F3NO4 (369.11878640000003)

P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D06238

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

Strictosidine aglycone(1+)

C21H25N2O4+ (369.181423)

Conjugate acid of strictosidine aglycone arising from deprotonation of the secondary amino group; major species at pH 7.3.

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

L-arginyl-4-hydroxy-5-phosphonopentanoate

C11H24N5O7P (369.1413284)

6-(Methylthio)hexyl-desulfoglucosinolate

Daurichromenate

C23H29O4- (369.2065734)

intermediate IV

C21H25N2O4+ (369.181423)

Parthenolide-cysteine

Iso-dehydrocycloxanthohumol hydrate

C21H21O6- (369.1338066)

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)

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

6-methylthiohexyldesulfoglucosinolate

malbrancheamide B

(+)-Isomalbrancheamide B

Canadaline

A natural product found in Corydalis cava and Hydrastis canadensis.

2-[(4,4-Dimethyl-2,6-dioxocyclohexyl)-(3-pyridinyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

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

H-Thr-tyr-ser-OH

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

C21H27N3OS (369.18747320000006)

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

C21H21F2N3O (369.16526)

1-(2,6-Dimethylphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea

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

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

4-(9H-fluoren-9-yl)-N-phenyl-1-piperazinecarboxamide

C24H23N3O (369.1841028)

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

(2S)-9-(furan-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one

N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine

C18H23N7O2 (369.1913138)

1-[4-[4-[(3,4-Dimethoxyphenyl)methylamino]phenyl]-1-piperazinyl]ethanone

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

6,10-Dimethyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

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

C18H19N5O2S (369.1259394)

Hoerhammericine(1+)

C21H25N2O4+ (369.181423)

An ammonium ion derivative resulting from the protonation of the tertiary amino group of hoerhammericine. The major species at pH 7.3. Note that the stereoconfiguration of the epoxy group is based on CHEBI:144374, and of the 19 hydroxy group on CHEBI:144372 (the same enzyme produces the two).

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

C21H27N3OS (369.18747320000006)

1-(2,4-dimethylphenyl)-3-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]thiourea

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

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

2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone

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

N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide

2-cyclopropyl-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone

[(1R,5S)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyridin-4-ylmethanone

C24H23N3O (369.1841028)

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

His-Ile-Thr

Ile-Thr-His

Leu-His-Thr

Phe-Cys-Thr

Phe-Thr-Cys

Ser-Tyr-Thr

Thr-Cys-Phe

Thr-Leu-His

Asp-Val-His

Cys-Phe-Thr

Gly-Met-Tyr

His-Asp-Val

His-Leu-Thr

His-Thr-Ile

His-Thr-Leu

His-Val-Asp

Ile-His-Thr

Leu-Thr-His

Met-Gly-Tyr

Met-Tyr-Gly

Thr-His-Ile

Thr-His-Leu

Thr-Ile-His

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.

N-Ethyl-2,3,5,6-tetrahydro-4H,13H-15-oxa-3a,8-diaza-1H-dibenzo[a,hi]naphthacene-13-imine

C24H23N3O (369.1841028)

(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

1-Heptanoyl-2-hydroxy-sn-glycero-3-phosphocholine

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

[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] decanoate

[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl] acetate

lysoPE 10:0

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

1-heptanoyl-sn-glycero-3-phosphocholine

2-heptanoyl-sn-glycero-3-phosphocholine

A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as heptanoyl.

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.

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

Celafurine

C18H25NO.BrH.H2O (369.13032880000003)

A cyclic spermidine alkaloid that is 2-phenyl-1,5,9-triazacyclotridecan-4-one in which the amino hydrogen at position 9 has been replaced by a furan-3-carbonyl group.

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.

LPE(10:0)

PC 3:0/3:0

LPE 10:0

LPE 8:2;O2

C13H24NO9P (369.1188624)

LPE 9:1;O

Phe-Gly-Phe

Phe-Phe-Gly

Thr-Ser-Tyr

Thr-Tyr-Ser

ST 20:5;O2;Gly

(R)-ADX-47273

C20H17F2N3O2 (369.1288766)

(R)-ADX-47273 is a potent mGluR5 positive allosteric modulator, with an EC50 of 168 nM for potentiation .

(S)-Amisulpride

(S)-Amisulpride (Esamisulpride) is a potent dopamine D2/D3 receptor antagonist. (S)-Amisulpride is an antagonist at the 5-HT7 receptor with a KI of 900 nM. (S)-Amisulpride has antipsychotic and antidepressant effects[1][2].

Aramisulpride