Exact Mass: 240.13342

Ameltolide

4-Amino-N-(2,6-dimethylphenyl)benzamide

C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent Same as: D02892

Mirasan

C13H21ClN2 (240.1393176)

Imiquimod

1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine

Imiquimod is an immune response modifier that acts as a toll-like receptor 7 agonist. Imiquimod is commonly used topically to treat warts on the skin of the genital and anal areas. Imiquimod does not cure warts, and new warts may appear during treatment. Imiquimod does not fight the viruses that cause warts directly, however, it does help to relieve and control wart production. miquimod is also used to treat a skin condition of the face and scalp called actinic keratoses and certain types of skin cancer called superficial basal cell carcinoma. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D007155 - Immunologic Factors > D007369 - Interferon Inducers D000970 - Antineoplastic Agents C274 - Antineoplastic Agent

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime

Budralazine

1-[2-(4-methylpent-3-en-2-ylidene)hydrazin-1-yl]phthalazine

Drummondol

N,N-Dibenzylurea

1,3-DIBENZYL UREA

N,N-Dimethylcarbanilide

N,N`-dimethyl-N,N`-diphenylurea

CONFIDENCE standard compound; INTERNAL_ID 33

MMV054312

Diethyl diallylmalonate

trans-9-hydroxy-3-methyl-8-oxo-dodec-trans-6-en-4-olide

Drummondone A|Drummondone B

3,4,5-trimethoxy-2-(2-methylpropyl)phenol

(-)-12-hydroxyjasmonic acid methyl ester|(-)-methyl 12-hydroxyjasmonate|(1R,2R)-Methyl-5-hydroxyjasmonate|5-hydroxyjasmonic acid methyl ester|methyl (1R,2R)-5-hydroxyjasmonate|methyl (1S,2R,2Z)-2-(5-hydroxy-2-pentenyl)-3-oxo-cyclopentaneacetate

6-Norsetoclavine|8-methyl-9,10-didehydro-ergolin-8-ol|Norsetoclavin|norsetoclavine

(2beta,3beta,5alpha,6alpha,7E)-5,6-Epoxy-2,3-dihydroxy-7-megastigmen-9-one

ficuspirolide

CCC(O)C(C)C=CC=CC(=O)C(C)C(O)=O

O-De-Me-Harmalidine

2-methylidenepropane-1,3-diyl 1-((Z)-2-methyl-2-butenoate) 3-isobutyrate

APHE-4

(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro<4.4>nonanol-9|(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro[4.4]nonanol-9|9-Hydroxy-8-(2-pentenylidene)-1,6-dioxaspiro[4,4]nonane-2-methanol

(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro<4.4>nonanol-9|(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro[4.4]nonanol-9|9-Hydroxy-8-(2-pentenylidene)-1,6-dioxaspiro[4,4]nonane-2-methanol

Cedarmycin A

13-Carboxy-blumenol C

1,3-Dibenzylurea

methyl (2Z,4E)-3-methoxycarbonyl-2-methyl-2,4-nonadienoate

Apocynol B

(E)-4-((rel-3R,4S,6R)-4-hydroxy-4-methyl-6-(2-oxopropyl)-tetrahydro-2H-pyran-3-yl)but-3-en-2-one|quamopyran

(6S,7R,8R,9S)-6-oxaspiro-7,8-dihydroxymegastigman-4-en-3-one|tubiflorone

Unedone

6-hexyl-3-methyl-(3S,3aS,6R,6aR)-perhydrofuro[3,4-b]furan-2,4-dione

imiquimod

1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine

D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D007155 - Immunologic Factors > D007369 - Interferon Inducers D000970 - Antineoplastic Agents C274 - Antineoplastic Agent

NPE_241.1335_10.3

CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1108

NPE_241.1335_10.8

CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1113

diethyldiallylmalonate

Diethyl diallylmalonate

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1054

FA 13:3;O2

(1R,2R,2E)-2-[5-(hydroxy)-2-penten-1-yl]-3-oxocyclopentane acetic acid methyl ester

Avenolide

(4S,10R)-hydroxy-10-methyl-9-oxo-dodec-2-en-1,4-olide

Mycenolide A

(4s)-10-Hydroxy-10-methyl-11-oxo-dodec-2-en-1,4-olide

2,2-Dimethylpropanediol dimethacrylate

(6-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone

1,5-pentanediol dimethacrylate

Urea,N,N-bis(4-methylphenyl)-

Benzene,1-(2,2-diethoxyethoxy)-4-methoxy-

Neopentyl Glycol Dimethacrylate

3-amino-N-(2,6-dimethylphenyl)benzamide

tritert-butylgallane

C12H27Ga (240.13684519999998)

4-(SEC-BUTOXY)ANILINE

2-[1-(2-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID

8-(P-TOLYL)-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE

METHYL 7-(3-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOATE

3,4,5-TRIETHOXYBENZYL ALCOHOL

2-{2-[2-(Benzyloxy)ethoxy]ethoxy}ethanol

C9H17BF4N2 (240.14208399999998)

1-butyl-2,3-dimethylimidazolium tetrafluoroborate

3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)phenol

Piperazine,1,4-di-2-pyridinyl-

4-AMINO-N-(1-PHENYLETHYL)BENZAMIDE

1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERIDINE-4-OL

2-AMINO-N-PHENETHYL-BENZAMIDE

METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE

3-[(2,4-Dimethyl-1-penten-3-yl)oxy]phthalonitrile

Furan-2-ylmethyl-[2-(1H-indol-3-yl)-ethyl]-amine

2-{1-[(5-METHYL-2-FURYL)METHYL]-3-OXO-2-PIPERAZINYL}ACETIC ACID

4-[4-(TERT-BUTYL)PHENOXY]ANILINE HYDROCHLORIDE

3-(4-METHYLPHENOXY)PIPERIDINE

3-(2-METHOXYETHYL)PIPERIDINE HYDROCHLORIDE

4-(4-FLUORO-2-NITROPHENYL)MORPHOLINE

tert-Butyl(diphenyl)silane

C16H20Si (240.13342)

3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanenitrile

dibenzyl(dimethyl)silane

C16H20Si (240.13342)

1-((BENZO[D]THIAZOL-2-YL)METHYL)HYDRAZINE

2-chloro-5-nonylpyrimidine

C13H21ClN2 (240.1393176)

6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one

4,4-BIS(METHYLAMINO)BENZOPHENONE

2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine

2-(N-benzylanilino)acetamide

C15H17BO2 (240.13215320000003)

5,5-dimethyl-2-naphthalen-1-yl-1,3,2-dioxaborinane

1-PHENETHYLPIPERIDIN-4-AMINE HYDROCHLORIDE

C13H21ClN2 (240.1393176)

2-(2,4-DIBROMO-6-METHYLPHENOXY)ACETIC ACID

Simtrazene

2-Tetrazene,1,4-dimethyl-1,4-diphenyl-

C274 - Antineoplastic Agent

1-(2-METHOXYETHYL)-3-PYRROLIDINYL]METHANOL

6-Benzyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1(2H)-one

5-CHLORO-2,4-DIMETHOXY-BENZENESULFONYL CHLORIDE

2-AMINO-6-METHYL-N-(O-TOLYL)BENZAMIDE

N-[3-(Benzylamino)phenyl]acetamide

C9H17BF4N2 (240.14208399999998)

1,3-Diisopropylimidazolium tetrafluoroborate

β-Phenylhydrocinnamic acid hydrazide

C12H17FN2O2 (240.12739940000003)

(S)-TERT-BUTYL (1-(5-FLUOROPYRIDIN-2-YL)ETHYL)CARBAMATE

1-ACETYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-SULFONYL CHLORIDE

C15H17BO2 (240.13215320000003)

(4-Propyl-4-biphenylyl)boronic acid

TERT-BUTYL 4-(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE

Urea,N,N-bis(2-methylphenyl)-

2-[4-(1-Piperazinyl)phenyl]pyrimidine

3-PHENYL-6-(PIPERAZIN-1-YL)PYRIDAZINE

Benmoxin

N-(1-phenylethyl)benzohydrazide

C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

Propanedioic acid,2-(2-cyclohexen-1-yl)-, 1,3-diethyl ester

Picobenzide

PIPERIDIN-4-YL-QUINOLIN-3-YL-METHANONE

N,N-DIMETHYL-4,4-AZODIANILINE

C9H17BF4N2 (240.14208399999998)

1-Methyl-3-pentylimidazolium Tetrafluoroborate

11b-methyl-2,5,6,11-tetrahydro-1H-pyrrolo[5,1-a]$b-carbolin-3-one

4-AMinobenzo-12-crown-4

C12H18NO4 (240.1235768)

2,6-diethyl spiro[3.3]heptane-2,6-dicarboxylate

Diethyldiphenylsilane(Diphenyldiethylsilane)

C16H20Si (240.13342)

methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate

2-amino-N-(1-phenylethyl)benzamide

Buterazine

Budralazine

D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

2-[1-(3-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID

C12H17FN2O2 (240.12739940000003)

3-Fluoro-4-[2-(4-morpholinyl)ethoxy]phenylamine

Ronopterin

C9H16N6O2 (240.13346760000002)

C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime

ABP688 is a high affinity human mGluR5 antagonist with anKi of 1.7 nM. Radioisotope-labeled ABP688 can be used as a PET tracer for clinical imaging of the mGlu5 receptor[1].

4-propan-2-yl-N-(3-pyridinyl)benzamide

Prolyl-beta-naphthylamide

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one

C9H16N6O2 (240.13346760000002)

Decarbamoyl-alpha-dihydrosaxitoxin

2-[3-(2-Cyanopropan-2-yl)-5-formylphenyl]-2-methylpropanenitrile

1,9-Diethyl (2E,7E)-nona-2,7-dienedioate

(2R)-2-phenyl-N-pyridin-4-ylbutanamide

(12bs)-1,2,3,4,12,12b-Hexahydroindolo[2,3-A]quinolizin-7(6h)-One

Ameltolide

C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent Same as: D02892

1-(6,8-Dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone

3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoic acid

2-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]-2H-furan-5-one

N-Ethylharmine

A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a ethyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.

4-phenyl-N-(2-pyridinyl)butanamide

Methyl tuberonate

A methyl ester derived from tuberonic acid.

3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile

Bis(3-methyl-3-butenyl) malonate

C11H20N2O2Si (240.12939800000004)

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid, TMS derivative

Methyl (1S,2R,(4A)R,8S,(8A)R)-1,2,3,5,6,7,8,(8A)-octahydro-8-hydroxy-2-methylnaphthalen-4(4A)H)-one-1-carboxylate

3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid

A dioxo monocarboxylic acid that consists of hydrindane bearing oxo and hydroxy substituents at positions 1 and 5 respectively as well as a 2-carboxyethyl substituent at position 4 (the 3aS,4S,5R,7aS diastereomer).

1-(2-phenylethyl)-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

2-[(3s,5r)-5-hexyl-2-oxooxolan-3-yl]prop-2-enoic acid

(3z,4s,5r,7r)-7-(hydroxymethyl)-3-[(2e)-pent-2-en-1-ylidene]-1,6-dioxaspiro[4.4]nonan-4-ol

(1s,5s,8s)-8-hydroxy-8-[(1e)-3-hydroxybut-1-en-1-yl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one

(5s)-5-(6-hydroxy-6-methyl-5-oxooctyl)-5h-furan-2-one

(4-methylidene-5-oxooxolan-3-yl)methyl 5-methylhexanoate

1-[5-(1,2-dihydroxyheptyl)furan-2-yl]ethanone

C9H16N6O2 (240.13346760000002)

(3as,4r,10s,10as)-4-(hydroxymethyl)-2,6-diimino-octahydropyrrolo[1,2-c]purin-10-ol

1,4-dimethyl 2-(hex-1-en-1-yl)-3-methylbut-2-enedioate

n,n'-dibenzylcarbamimidic acid

1-(1-hydroxy-2-methoxyethyl)-4-methoxy-beta-carboline

{"Ingredient_id": "HBIN000435","Ingredient_name": "1-(1-hydroxy-2-methoxyethyl)-4-methoxy-beta-carboline","Alias": "NA","Ingredient_formula": "C15H16N2O","Ingredient_Smile": "NA","Ingredient_weight": "272.303","OB_score": "NA","CAS_id": "89915-40-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9714","PubChem_id": "NA","DrugBank_id": "NA"}

13-carboxy-blumenol c

{"Ingredient_id": "HBIN001151","Ingredient_name": "13-carboxy-blumenol c","Alias": "NA","Ingredient_formula": "C13H20O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3165","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

apocynol b