Exact Mass: 319.2147

Exact Mass Matches: 319.2147

Found 309 metabolites which its exact mass value is equals to given mass value 319.2147, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Chloroquine

N(4)-(7-Chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine

C18H26ClN3 (319.1815)


Chloroquine is only found in individuals that have used or taken this drug. It is a prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses. [PubChem]The mechanism of plasmodicidal action of chloroquine is not completely certain. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites. nside red blood cells, the malarial parasite must degrade hemoglobin to acquire essential amino acids, which the parasite requires to construct its own protein and for energy metabolism. Digestion is carried out in a vacuole of the parasite cell.During this process, the parasite produces the toxic and soluble molecule heme. The heme moiety consists of a porphyrin ring called Fe(II)-protoporphyrin IX (FP). To avoid destruction by this molecule, the parasite biocrystallizes heme to form hemozoin, a non-toxic molecule. Hemozoin collects in the digestive vacuole as insoluble crystals.Chloroquine enters the red blood cell, inhabiting parasite cell, and digestive vacuole by simple diffusion. Chloroquine then becomes protonated (to CQ2+), as the digestive vacuole is known to be acidic (pH 4.7); chloroquine then cannot leave by diffusion. Chloroquine caps hemozoin molecules to prevent further biocrystallization of heme, thus leading to heme buildup. Chloroquine binds to heme (or FP) to form what is known as the FP-Chloroquine complex; this complex is highly toxic to the cell and disrupts membrane function. Action of the toxic FP-Chloroquine and FP results in cell lysis and ultimately parasite cell autodigestion. In essence, the parasite cell drowns in its own metabolic products. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol

1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol

C20H21N3O (319.1685)


   
   

Homocapsaicin; Homocapsaicin I

N-Vanillyl-9-methyl-6-decenamide

C19H29NO3 (319.2147)


   

2-[2-[[4-[[3-Aminopropyl]amino]butyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid

2-[2-[[4-[[3-Aminopropyl]amino]butyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid

C13H25N3O6 (319.1743)


   

Homocapsaicin

(7E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enimidate

C19H29NO3 (319.2147)


Isolated from the pungent principle of red pepper (Capsicum annuum). Homocapsaicin is found in many foods, some of which are green bell pepper, pepper (c. annuum), herbs and spices, and italian sweet red pepper. Homocapsaicin is found in herbs and spices. Homocapsaicin is isolated from the pungent principle of red pepper (Capsicum annuum

   

Latrepirdine

5-(2-{2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}ethyl)-2-methylpyridine

C21H25N3 (319.2048)


C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Latrepirdine is a tricyclic H1-antihistamine.

   

b-Dihydrotetrabenazine

9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol

C19H29NO3 (319.2147)


b-Dihydrotetrabenazine is a metabolite of tetrabenazine. Tetrabenazine is a drug for the symptomatic treatment of hyperkinetic movement disorder and is marketed under the trade names Nitoman in Canada and Xenazine in New Zealand and some parts of Europe, and is also available in the USA as an orphan drug. On August 15, 2008 the U.S. Food and Drug Administration (FDA) approved the use of tetrabenazine to treat chorea associated with Huntingtons disease (HD), the first in the US. The compound has been known since the 1950s. (Wikipedia)

   

alpha-dihydrotetrabenazine

(2R,3S)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol

C19H29NO3 (319.2147)


alpha-dihydrotetrabenazine is a metabolite of tetrabenazine. Tetrabenazine is a drug for the symptomatic treatment of hyperkinetic movement disorder and is marketed under the trade names Nitoman in Canada and Xenazine in New Zealand and some parts of Europe, and is also available in the USA as an orphan drug. On August 15, 2008 the U.S. Food and Drug Administration (FDA) approved the use of tetrabenazine to treat chorea associated with Huntingtons disease (HD), the first in the US. The compound has been known since the 1950s. (Wikipedia)

   

6-Acetyloxy-3,4-dihydro-N,N,2,5,7,8-hexamethyl-2H-1-benzopyran-2-ethanamine

2-[2-(dimethylamino)ethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl acetate

C19H29NO3 (319.2147)


   

Deshydroxyethyl opipramol

2-[3-(piperazin-1-yl)propyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaene

C21H25N3 (319.2048)


   

Igmesine

(cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine

C23H29N (319.23)


   

Imidafenacin

4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanamide

C20H21N3O (319.1685)


G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Imidafenacin (KRP-197; ONO-8025) is a potent and selective inhibitor of M3 receptors.

   

Pentisomide

2-{2-[bis(propan-2-yl)amino]ethyl}-4-methyl-2-(pyridin-2-yl)pentanimidate

C19H33N3O (319.2623)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

Tetradecyl nicotinate

Tetradecyl pyridine-3-carboxylic acid

C20H33NO2 (319.2511)


   

1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea

N-(1-acetylpiperidin-4-yl)-N-(adamantan-1-yl)carbamimidate

C18H29N3O2 (319.226)


   

Lycoposerramine A

Lycoposerramine A

C18H29N3O2 (319.226)


   

Hippeastidine

Hippeastidine

C18H25NO4 (319.1783)


   
   

Protoemetinol

Protoemetinol

C19H29NO3 (319.2147)


   

Cinnabaramide C

Cinnabaramide C

C19H29NO3 (319.2147)


   
   
   
   

JWH-251

2-(2-methylphenyl)-1-(1-pentyl-1H-indol-3-yl)-methanone

C22H25NO (319.1936)


   
   

Oprea1_820256

Oprea1_820256

C20H21N3O (319.1685)


   

2-Naphthalenol, 1-[[4-(diethylamino)phenyl]azo]-

2-Naphthalenol, 1-[[4-(diethylamino)phenyl]azo]-

C20H21N3O (319.1685)


   

17α-Methyl-androstan-3-hydroxyimine-17β-ol

17α-Methyl-androstan-3-hydroxyimine-17β-ol

C20H33NO2 (319.2511)


   

Deshydroxyethyl opipramol

Deshydroxyethyl opipramol

C21H25N3 (319.2048)


   
   

9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid

9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid

C18H25NO4 (319.1783)


   
   

Eustifoline C

Eustifoline C

C22H25NO (319.1936)


   

DTXSID801000213

DTXSID801000213

C20H21N3O (319.1685)


   

(S)-2-[(2-Methyl-1-oxopropyl)amino]-N-(2-phenylethyl)pentanediamide

(S)-2-[(2-Methyl-1-oxopropyl)amino]-N-(2-phenylethyl)pentanediamide

C17H25N3O3 (319.1896)


   

Macrophylline

Macrophylline

C20H21N3O (319.1685)


   
   

(2S,4S,10R)-4-(3-hydroxy-4-methoxyphenyl)-quinolizidin-2-acetate

(2S,4S,10R)-4-(3-hydroxy-4-methoxyphenyl)-quinolizidin-2-acetate

C18H25NO4 (319.1783)


   

E-Oxime-3,17-Dihydroxyandrost-5-en-16-one

E-Oxime-3,17-Dihydroxyandrost-5-en-16-one

C19H29NO3 (319.2147)


   

9-(4-aminophenyl)-3,7-O-cyclo-2,4,6-trimethyl-9-oxo-nonanoic acid

9-(4-aminophenyl)-3,7-O-cyclo-2,4,6-trimethyl-9-oxo-nonanoic acid

C18H25NO4 (319.1783)


   

(-)-Pictamine|(3R,4S,6S,9aS)-4-methyl-6-((1E,3E)-deca-1,3-dienyl)-octahydro-quinolizin-3-yl acetate|Pictamine

(-)-Pictamine|(3R,4S,6S,9aS)-4-methyl-6-((1E,3E)-deca-1,3-dienyl)-octahydro-quinolizin-3-yl acetate|Pictamine

C20H33NO2 (319.2511)


   

10-hydroxyspilanthol-(3-methylacrylate)

10-hydroxyspilanthol-(3-methylacrylate)

C19H29NO3 (319.2147)


   
   

Penicolinate E

Penicolinate E

C19H29NO3 (319.2147)


   

Piroheptin-Metabolit*HBr

Piroheptin-Metabolit*HBr

C22H25NO (319.1936)


   

(E)-N-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-decenamide|homocapsaicin|Homocapsaicin II|homocapsaicin-II

(E)-N-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-decenamide|homocapsaicin|Homocapsaicin II|homocapsaicin-II

C19H29NO3 (319.2147)


   
   
   
   
   
   
   

JWH 251 3-methylphenyl isomer

JWH 251 3-methylphenyl isomer

C22H25NO (319.1936)


   
   
   
   
   
   
   
   

HomocapsaicinII

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide

C19H29NO3 (319.2147)


Homocapsaicin II is a natural product found in Capsicum annuum with data available.

   

chloroquine

chloroquine

C18H26ClN3 (319.1815)


P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   
   
   
   
   
   
   

(7R,E)-8-((1S,Z)-1-hydroxy-1-methylhexahydro-2H-quinolizin-3(4H)-ylidene)-4,7-dimethyloct-4-en-2-one

(7R,E)-8-((1S,Z)-1-hydroxy-1-methylhexahydro-2H-quinolizin-3(4H)-ylidene)-4,7-dimethyloct-4-en-2-one

C20H33NO2 (319.2511)


   

(7R,E)-8-((1S,Z)-1-hydroxy-1-methylhexahydro-2H-quinolizin-3(4H)-ylidene)-4,7-dimethyloct-3-en-2-one

(7R,E)-8-((1S,Z)-1-hydroxy-1-methylhexahydro-2H-quinolizin-3(4H)-ylidene)-4,7-dimethyloct-3-en-2-one

C20H33NO2 (319.2511)


   

(7R,E)-8-((1S,Z)-1-hydroxy-1-methylhexahydro-2H-quinolizin-3(4H)-ylidene)-4,7-dimethyloct-4-en-3-one

(7R,E)-8-((1S,Z)-1-hydroxy-1-methylhexahydro-2H-quinolizin-3(4H)-ylidene)-4,7-dimethyloct-4-en-3-one

C20H33NO2 (319.2511)


   

Dihydrotetrabenazine

Dihydrotetrabenazine

C19H29NO3 (319.2147)


   

N-hydroxy arachidonoyl amine

N-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoyl amine

C20H33NO2 (319.2511)


   

Anandamide (18:4, n-3)

N-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-ethanolamine

C20H33NO2 (319.2511)


   

CAY10498

1H-Purine-2,6-diamine, N6-(1R,2S,4S)-bicyclo[2.2.1]hept-2-yl-N2-phenyl

C18H19N6 (319.1671)


   

Dimebolin

2,3,4,5-tetrahydro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrido[4,3-b]indole

C21H25N3 (319.2048)


   

Homocapsaicin

N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-methyl-7-decenamide, 9ci

C19H29NO3 (319.2147)


   

JWH 251 4-methylphenyl isomer

JWH 251 4-methylphenyl isomer

C22H25NO (319.1936)


   

NA 20:4;O

N-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoyl amine

C20H33NO2 (319.2511)


   

NA 18:6;O3

N-(nonanoyl)-2,3-(Z)-dehydrotyrosine

C18H25NO4 (319.1783)


   

NAE 18:4

N-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-ethanolamine

C20H33NO2 (319.2511)


   

1-[(tert-butyl)oxycarbonyl]-3-benzylpiperidine-3-carboxylic acid

1-[(tert-butyl)oxycarbonyl]-3-benzylpiperidine-3-carboxylic acid

C18H25NO4 (319.1783)


   

3-Oxo-4-aza-5-α-androstane-17-β-carboxylicacid

3-Oxo-4-aza-5-α-androstane-17-β-carboxylicacid

C19H29NO3 (319.2147)


   

4-(3-BENZHYDRYL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE

4-(3-BENZHYDRYL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE

C20H21N3O (319.1685)


   

NBI-98782

(+)-alpha-Dihydrotetrabenazine

C19H29NO3 (319.2147)


   
   

n-boc-4-benzyl-4-piperidinecarboxylic acid

n-boc-4-benzyl-4-piperidinecarboxylic acid

C18H25NO4 (319.1783)


   

1-(2-METHOXY-PHENYL)-PYRROLE-2,5-DIONE

1-(2-METHOXY-PHENYL)-PYRROLE-2,5-DIONE

C20H30ClN (319.2067)


   
   

3-N-BOC-AMINO-1-(2-AMINO-1-M-TOLYL-ETHYL)-PYRROLIDINE

3-N-BOC-AMINO-1-(2-AMINO-1-M-TOLYL-ETHYL)-PYRROLIDINE

C18H29N3O2 (319.226)


   

3-N-BOC-1-(2-AMINO-1-P-TOLYL-ETHYL)-PYRROLIDINE

3-N-BOC-1-(2-AMINO-1-P-TOLYL-ETHYL)-PYRROLIDINE

C18H29N3O2 (319.226)


   

TERT-BUTYL 2-(4-(METHOXYCARBONYL)-2-METHYLPHENYL)PYRROLIDINE-1-CARBOXYLATE

TERT-BUTYL 2-(4-(METHOXYCARBONYL)-2-METHYLPHENYL)PYRROLIDINE-1-CARBOXYLATE

C18H25NO4 (319.1783)


   

4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID

4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID

C18H25NO4 (319.1783)


   

Myristyl nicotinate

Tetradecyl nicotinate

C20H33NO2 (319.2511)


C26170 - Protective Agent > C2459 - Chemoprotective Agent

   

butanedioic acid,1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

butanedioic acid,1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

C15H29NO6 (319.1995)


   

BOC-(4-METHYLBENZYL)-DL-PRO-OH

BOC-(4-METHYLBENZYL)-DL-PRO-OH

C18H25NO4 (319.1783)


   
   

4-Methyl-3-nitrolaurophenone

4-Methyl-3-nitrolaurophenone

C19H29NO3 (319.2147)


   

Ethyl 1-Cbz-3-ethylpiperidine-3-carboxylate

Ethyl 1-Cbz-3-ethylpiperidine-3-carboxylate

C18H25NO4 (319.1783)


   

1-Benzyl 3-methyl 3-isopropyl-1,3-piperidinedicarboxylate

1-Benzyl 3-methyl 3-isopropyl-1,3-piperidinedicarboxylate

C18H25NO4 (319.1783)


   

(2-boc-aminophenyl)boronic acid, pinacol ester

(2-boc-aminophenyl)boronic acid, pinacol ester

C17H26BNO4 (319.1955)


   

calcium 2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate (1:2)

calcium 2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate (1:2)

C19H29NO3 (319.2147)


   

2-(DICYCLOHEXYLPHOSPHINOETHYL)TRIMETHYLAMMONIUM CHLORIDE

2-(DICYCLOHEXYLPHOSPHINOETHYL)TRIMETHYLAMMONIUM CHLORIDE

C17H35ClNP (319.2196)


   

(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ETHYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ETHYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

C18H25NO4 (319.1783)


   

[1-(4-amino-benzoyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

[1-(4-amino-benzoyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

C17H25N3O3 (319.1896)


   

TERT-BUTYL 4-HYDROXYSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE

TERT-BUTYL 4-HYDROXYSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE

C18H25NO4 (319.1783)


   

tert-butyl 4-(4-formylbenzyloxy)piperidine-1-carboxylate

tert-butyl 4-(4-formylbenzyloxy)piperidine-1-carboxylate

C18H25NO4 (319.1783)


   

ethyl (E,2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-3-enoate

ethyl (E,2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-3-enoate

C18H25NO4 (319.1783)


   

BENZYL N-BOC-4-PIPERIDINECARBOXYLATE

BENZYL N-BOC-4-PIPERIDINECARBOXYLATE

C18H25NO4 (319.1783)


   

Sodium 1-lauroyl-L-prolinate

Sodium 1-lauroyl-L-prolinate

C17H30NNaO3 (319.2123)


   

n-boc-(s)-cyclopropylalanine benzyl ester

n-boc-(s)-cyclopropylalanine benzyl ester

C18H25NO4 (319.1783)


   

Butopiprine

2-butoxyethyl 2-phenyl-2-piperidin-1-ylacetate

C19H29NO3 (319.2147)


C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent

   

tert-Butyl 4-[(2-aminobenzene)amido]piperidine-1-carboxylate

tert-Butyl 4-[(2-aminobenzene)amido]piperidine-1-carboxylate

C17H25N3O3 (319.1896)


   

Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester

C17H26BNO4 (319.1955)


   

(2R)-2-(Hydroxymethyl)-3-(cyclopentyl)-N-(phenylmethoxy)hexanamide

(2R)-2-(Hydroxymethyl)-3-(cyclopentyl)-N-(phenylmethoxy)hexanamide

C19H29NO3 (319.2147)


   

1-(2-Ethylbutyl)-N-(2-sulfanylphenyl)cyclohexanecarboxamide

1-(2-Ethylbutyl)-N-(2-sulfanylphenyl)cyclohexanecarboxamide

C19H29NOS (319.197)


   

3-(Dodecanoylamino)benzoic acid

3-(Dodecanoylamino)benzoic acid

C19H29NO3 (319.2147)


   

1-BOC-4-[METHYL-(2-PYRIDIN-2-YL-ETHYL)-AMINO]-PIPERIDINE

1-BOC-4-[METHYL-(2-PYRIDIN-2-YL-ETHYL)-AMINO]-PIPERIDINE

C18H29N3O2 (319.226)


   

N-(4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)CYCLOPENTANAMINE

N-(4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)CYCLOPENTANAMINE

C18H27BFNO2 (319.2119)


   

Cilansetron

Cilansetron

C20H21N3O (319.1685)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AE - Serotonin receptor antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist

   

N-[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-N-tert-butylcarbamate

N-[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-N-tert-butylcarbamate

C18H27N2O3 (319.2022)


   
   

Amitriptyline-d6 hydrochloride

Amitriptyline-d6 hydrochloride

C20H18ClD6N (319.1974)


   

1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)-

1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)-

C18H25NO4 (319.1783)


   

N-CBZ-2-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER

N-CBZ-2-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER

C18H25NO4 (319.1783)


   

(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine

(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine

C23H29N (319.23)


   

(4-amino-3-methyl-phenyl)-bis(4-aminophenyl)methanol

(4-amino-3-methyl-phenyl)-bis(4-aminophenyl)methanol

C20H21N3O (319.1685)


   

4-(2-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

4-(2-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C17H25N3O3 (319.1896)


   

tert-butyl 4-[(3-aminophenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(3-aminophenyl)carbamoyl]piperidine-1-carboxylate

C17H25N3O3 (319.1896)


   

4-(4-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

4-(4-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C17H25N3O3 (319.1896)


   

[1-(3-AMINO-BENZOYL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER

[1-(3-AMINO-BENZOYL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER

C17H25N3O3 (319.1896)


   

4-CARBOXYMETHYL-4-PHENYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

4-CARBOXYMETHYL-4-PHENYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C18H25NO4 (319.1783)


   

Tert-butyl-n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Tert-butyl-n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C17H26BNO4 (319.1955)


   

tert-butyl 4-[3-[(methylamino)methyl]benzyl]tetrahydro-1(2h)-pyrazinecarboxylate

tert-butyl 4-[3-[(methylamino)methyl]benzyl]tetrahydro-1(2h)-pyrazinecarboxylate

C18H29N3O2 (319.226)


   

1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea

1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea

C18H29N3O2 (319.226)


D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D004791 - Enzyme Inhibitors

   

Tesmilifene hydrochloride

Tesmilifene hydrochloride

C19H26ClNO (319.1703)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent C2140 - Adjuvant

   

Dalcotidine

Dalcotidine

C18H29N3O2 (319.226)


C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist

   

(+)-Chloroquine

(+)-Chloroquine

C18H26ClN3 (319.1815)


   

(R)-chloroquine

(R)-chloroquine

C18H26ClN3 (319.1815)


   

(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

C19H29NO3 (319.2147)


   

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone

C20H21N3O (319.1685)


   

N-{[(3,5-Di-tert-butyl-4-hydroxyphenyl)methoxy]methyl}prop-2-enamide

N-{[(3,5-Di-tert-butyl-4-hydroxyphenyl)methoxy]methyl}prop-2-enamide

C19H29NO3 (319.2147)


   

Latrepirdine

Latrepirdine

C21H25N3 (319.2048)


C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Imidafenacin

Imidafenacin

C20H21N3O (319.1685)


G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Imidafenacin (KRP-197; ONO-8025) is a potent and selective inhibitor of M3 receptors.

   

(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoate

(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoate

C20H31O3- (319.2273)


   

15(R)-Hete(1-)

15(R)-Hete(1-)

C20H31O3- (319.2273)


A 15-HETE(1-) that is the conjugate base of 15(R)-HETE(1-), obtained by deprotonation of the carboxy group; major species at pH 7.3.

   
   

Trimethyl-[2-methyl-4-[oxo(1-piperidinyl)methoxy]-5-propan-2-ylphenyl]ammonium

Trimethyl-[2-methyl-4-[oxo(1-piperidinyl)methoxy]-5-propan-2-ylphenyl]ammonium

C19H31N2O2+ (319.2385)


   

11,12-Epoxyarachidonate

11,12-Epoxyarachidonate

C20H31O3- (319.2273)


   

20-Hydroxyarachidonate

20-Hydroxyarachidonate

C20H31O3- (319.2273)


   

5(S)-Hete(1-)

5(S)-Hete(1-)

C20H31O3- (319.2273)


An icosanoid anion that is the conjugate base of 5(S)-HETE, obtained by deprotonation of the hydroxy group; major species at pH 7.3.

   

12(R)-Hete(1-)

12(R)-Hete(1-)

C20H31O3- (319.2273)


A polyunsaturated fatty acid anion that is the conjugate base of 12(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

12(S)-Hete(1-)

12(S)-Hete(1-)

C20H31O3- (319.2273)


An icosanoid anion that is the conjugate base of 12(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(5Z)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoate

(5Z)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoate

C20H31O3- (319.2273)


   

4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate

4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate

C20H31O3- (319.2273)


   

(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate

(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate

C20H31O3- (319.2273)


   

N-citryl-spermidine

N-citryl-spermidine

C13H25N3O6 (319.1743)


   

(16R)-hydroxy-ent-kauran-19-oate

(16R)-hydroxy-ent-kauran-19-oate

C20H31O3- (319.2273)


   

1,17-Dioxo-2,3-seco-androstan-3-oate

1,17-Dioxo-2,3-seco-androstan-3-oate

C19H27O4- (319.1909)


   

3-Hydroxy-eicosatetraenoate

3-Hydroxy-eicosatetraenoate

C20H31O3- (319.2273)


   

(Z)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine

(Z)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine

C23H29N (319.23)


   

(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine

(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine

C20H21N3O (319.1685)


   

18(R)-Hete(1-)

18(R)-Hete(1-)

C20H31O3- (319.2273)


A 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

18-Hydroxyarachidonate

18-Hydroxyarachidonate

C20H31O3- (319.2273)


   

5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoate

5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoate

C20H31O3- (319.2273)


   

Leu-Thr-Ser

Leu-Thr-Ser

C13H25N3O6 (319.1743)


A tripeptide composed of L-leucine, L-threonine and L-serine joined in sequence by peptide linkages.

   

Ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate

Ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate

C17H25N3O3 (319.1896)


   

(14S,15R)-Eet(1-)

(14S,15R)-Eet(1-)

C20H31O3- (319.2273)


A 14,15-EET(1-) that is the conjugate base of (14S,15R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(5Z,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoate

(5Z,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoate

C20H31O3- (319.2273)


   

(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate

(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate

C20H31O3- (319.2273)


   

17-Hydroxyarachidonate

17-Hydroxyarachidonate

C20H31O3- (319.2273)


   

16-Hydroxyarachidonate

16-Hydroxyarachidonate

C20H31O3- (319.2273)


   

19-Hydroxyarachidonate

19-Hydroxyarachidonate

C20H31O3- (319.2273)


   

11(R)-Hete(1-)

11(R)-Hete(1-)

C20H31O3- (319.2273)


An 11-HETE(1-) that is the conjugate base of 11(R)-HETE(1-), obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(8S,9R)-Eet(1-)

(8S,9R)-Eet(1-)

C20H31O3- (319.2273)


An 8,9-EET(1-) that is the conjugate base of (8S,9R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(8R,9S)-Eet(1-)

(8R,9S)-Eet(1-)

C20H31O3- (319.2273)


An 8,9-EET(1-) that is the conjugate base of (8R,9S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(14R,15S)-Eet(1-)

(14R,15S)-Eet(1-)

C20H31O3- (319.2273)


A 14,15-EET(1-) that is the conjugate base of (14R,15S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(11S,12R)-Eet(1-)

(11S,12R)-Eet(1-)

C20H31O3- (319.2273)


An 11,12-EET(1-) that is the conjugate base of (11S,12R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(11R,12S)-Eet(1-)

(11R,12S)-Eet(1-)

C20H31O3- (319.2273)


An 11,12-EET(1-) that is the conjugate base of (11R,12S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine

N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine

C19H21N5 (319.1797)


   

(5Z,8Z,11Z,13E)-15-Hete(1-)

(5Z,8Z,11Z,13E)-15-Hete(1-)

C20H31O3- (319.2273)


An icosanoid anion that is the conjugate base of 15-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

1-methyl-N-[4-(4-morpholinyl)phenyl]-2-quinolinimine

1-methyl-N-[4-(4-morpholinyl)phenyl]-2-quinolinimine

C20H21N3O (319.1685)


   

(5Z,8Z,11Z,14Z,16S)-16-hydroxyeicosa-5,8,11,14-tetraenoate

(5Z,8Z,11Z,14Z,16S)-16-hydroxyeicosa-5,8,11,14-tetraenoate

C20H31O3- (319.2273)


   

13(S)-Hete(1-)

13(S)-Hete(1-)

C20H31O3- (319.2273)


A 13-HETE anion that is the conjugate base of 13(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

glycyl-L-leucyl-L-methioninamide cation

glycyl-L-leucyl-L-methioninamide cation

C13H27N4O3S+ (319.1804)


   

(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoate

(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoate

C20H31O3- (319.2273)


   

(3Z)-3-[(2E,4E,6E)-1-hydroxydodeca-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

(3Z)-3-[(2E,4E,6E)-1-hydroxydodeca-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

C18H25NO4 (319.1783)


   

(5Z,8Z,11Z,14Z,16R)-16-Hydroxyeicosa-5,8,11,14-tetraenoate

(5Z,8Z,11Z,14Z,16R)-16-Hydroxyeicosa-5,8,11,14-tetraenoate

C20H31O3- (319.2273)


   

13-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate

13-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate

C20H31O3- (319.2273)


   

7-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate

7-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate

C20H31O3- (319.2273)


   
   
   
   
   
   
   
   

17alpha-Methyl-androstan-3-hydroxyimine-17beta-ol

17alpha-Methyl-androstan-3-hydroxyimine-17beta-ol

C20H33NO2 (319.2511)


   

N-[2-(3,4-diethoxyphenyl)ethyl]cyclohexanecarboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]cyclohexanecarboxamide

C19H29NO3 (319.2147)


   

(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

C17H25N3O3 (319.1896)


   

(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

C17H25N3O3 (319.1896)


   
   
   
   
   
   
   
   

8(S)-Hete(1-)

8(S)-Hete(1-)

C20H31O3- (319.2273)


An icosanoid anion that is the conjugate base of 8(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(5Z,8Z,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

(5Z,8Z,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

C20H31O3- (319.2273)


   

(2E,6E,10E,14E)-omega-hydroxygeranylgeranate

(2E,6E,10E,14E)-omega-hydroxygeranylgeranate

C20H31O3- (319.2273)


A polyunsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (2E,6E,10E,14E)-omega-hydroxygeranylgeranic acid; major species at pH 7.3.

   

(6E,8Z,11Z)-5-oxoicosa-6,8,11-trienoate

(6E,8Z,11Z)-5-oxoicosa-6,8,11-trienoate

C20H31O3- (319.2273)


   

(E)-1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

(E)-1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one

C22H25NO (319.1936)


   

(5Z,8Z,11S,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

(5Z,8Z,11S,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

C20H31O3- (319.2273)


   

(3R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate

(3R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate

C15H27O7- (319.1757)


   

(3R,8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate

(3R,8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate

C15H27O7- (319.1757)


   

(5Z,7E,11Z,14Z)-9-hydroxyicosa-5,7,11,14-tetraenoate

(5Z,7E,11Z,14Z)-9-hydroxyicosa-5,7,11,14-tetraenoate

C20H31O3- (319.2273)


   

Picolinyl tetradecanoate

Picolinyl tetradecanoate

C20H33NO2 (319.2511)


   
   

N-(2-Propenoxybenzylidene)bis(trimethylsilyl)methylamine

N-(2-Propenoxybenzylidene)bis(trimethylsilyl)methylamine

C17H29NOSi2 (319.1788)


   

2,8-Dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydro-gamma-carboline

2,8-Dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydro-gamma-carboline

C21H25N3 (319.2048)


   

15(S)-HETE(1-)

15(S)-HETE(1-)

C20H31O3 (319.2273)


A polyunsaturated hydroxy fatty acid anion that is the conjugate base of 15(S)-HETE.

   

11,12-EET(1-)

11,12-EET(1-)

C20H31O3 (319.2273)


A polyunsaturated fatty acid anion that is the conjugate base of 11,12-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

20-HETE(1-)

20-HETE(1-)

C20H31O3 (319.2273)


An omega-hydroxy fatty acid anion that is the conjugate base of omega-hydroxyarachdonic acid (20-HETE), obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

8,9-EET(1-)

8,9-EET(1-)

C20H31O3 (319.2273)


An icosanoid anion that is the conjugate base of 8,9-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

5,6-EET(1-)

5,6-EET(1-)

C20H31O3 (319.2273)


An EET(1-) that is the conjugate base of 5,6-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

18-HETE(1-)

18-HETE(1-)

C20H31O3 (319.2273)


A hydroxy fatty acid anion that is the conjugate base of 18-hydroxyarachidonic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.

   

N-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-ethanolamine

N-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-ethanolamine

C20H33NO2 (319.2511)


   

12-HETE(1-)

12-HETE(1-)

C20H31O3 (319.2273)


An icosanoid anion that is the conjugate base of 12-HETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

   

11-HETE(1-)

11-HETE(1-)

C20H31O3 (319.2273)


An icosanoid anion that is the conjugate base of 11-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

11(S)-HETE(1-)

11(S)-HETE(1-)

C20H31O3 (319.2273)


An 11-HETE(1-) that is the conjugate base of 11(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

9-HETE(1-)

9-HETE(1-)

C20H31O3 (319.2273)


A HETE anion that is the conjugate base of 9-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

5-oxo-ETrE(1-)

5-oxo-ETrE(1-)

C20H31O3 (319.2273)


An icosanoid anion that is the conjugate base of (6E,8Z,11Z)-5-oxoicosatrienoic acid (5-oxo-ETrE), obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

8-HETE(1-)

8-HETE(1-)

C20H31O3 (319.2273)


An icosanoid anion that is the conjugate base of 8-HETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

   

bhas#10(1-)

bhas#10(1-)

C15H27O7 (319.1757)


Conjugate base of bhas#10

   

5-HETE(1-)

5-HETE(1-)

C20H31O3 (319.2273)


An unsaturated fatty acid anion that is the conjugate base of 5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoic acid, obtained by deprotonation of the carboxy group.

   

19-HETE(1-)

19-HETE(1-)

C20H31O3 (319.2273)


A polyunsaturated fatty acid anion that is the conjugate base of 19-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

16(R)-HETE(1-)

16(R)-HETE(1-)

C20H31O3 (319.2273)


A 16-HETE(1-) that is the conjugate base of 16(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

16(S)-HETE(1-)

16(S)-HETE(1-)

C20H31O3 (319.2273)


A 16-HETE(1-) that is the conjugate base of 16(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

bhos#10(1-)

bhos#10(1-)

C15H27O7 (319.1757)


Conjugate base of bhos#10

   

7-HETE(1-)

7-HETE(1-)

C20H31O3 (319.2273)


A HETE anion that is the conjugate base of 7-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

13-HETE(1-)

13-HETE(1-)

C20H31O3 (319.2273)


A HETE anion that is the conjugate base of 13-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

10-HETE(1-)

10-HETE(1-)

C20H31O3 (319.2273)


A HETE anion that is the conjugate base of 10-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

14,15-EET(1-)

14,15-EET(1-)

C20H31O3 (319.2273)


An icosanoid anion that is the conjugate base of 14,15-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

pyranonigrin I

pyranonigrin I

C18H25NO4 (319.1783)


A member of the class of pyrrolidin-2-ones with formula C18H25NO4, originally isolated from Aspergillus niger.

   

1-Carbazol-9-yl-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol

1-Carbazol-9-yl-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol

C20H21N3O (319.1685)


   

Carbazolyldimethyl-pyrazolylpropanol

Carbazolyldimethyl-pyrazolylpropanol

C20H21N3O (319.1685)


   

NA-Histamine 14:1(9Z)

NA-Histamine 14:1(9Z)

C19H33N3O (319.2623)


   
   
   

Stearidonoyl-EA

Stearidonoyl-EA

C20H33NO2 (319.2511)


   

(4e)-7-(chloromethylidene)-n-(2-phenylethyl)dec-4-enimidic acid

(4e)-7-(chloromethylidene)-n-(2-phenylethyl)dec-4-enimidic acid

C19H26ClNO (319.1703)


   

(2e)-9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid

(2e)-9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid

C18H25NO4 (319.1783)


   

2-ethyl-1-{[(6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl)(hydroxy)methylidene]amino}cyclopropane-1-carboxylic acid

2-ethyl-1-{[(6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl)(hydroxy)methylidene]amino}cyclopropane-1-carboxylic acid

C18H25NO4 (319.1783)


   

(1s,2s)-1-({[(3as,6r,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-2-ethylcyclopropane-1-carboxylic acid

(1s,2s)-1-({[(3as,6r,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-2-ethylcyclopropane-1-carboxylic acid

C18H25NO4 (319.1783)


   

(3r,4s,6s,9as)-4-methyl-6-[(1e,3e)-octa-1,3-dien-1-yl]-octahydro-1h-quinolizin-3-yl acetate

(3r,4s,6s,9as)-4-methyl-6-[(1e,3e)-octa-1,3-dien-1-yl]-octahydro-1h-quinolizin-3-yl acetate

C20H33NO2 (319.2511)


   

(5s)-1-hydroxy-4-methoxy-3-methyl-5-octyl-6,7-dihydro-5h-isoquinolin-8-one

(5s)-1-hydroxy-4-methoxy-3-methyl-5-octyl-6,7-dihydro-5h-isoquinolin-8-one

C19H29NO3 (319.2147)


   

4-(3-hydroxy-4-methoxyphenyl)-octahydro-1h-quinolizin-2-yl acetate

4-(3-hydroxy-4-methoxyphenyl)-octahydro-1h-quinolizin-2-yl acetate

C18H25NO4 (319.1783)


   

n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enimidic acid

n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enimidic acid

C19H29NO3 (319.2147)


   

n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enimidic acid

n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enimidic acid

C19H29NO3 (319.2147)


   

alvanidine

NA

C20H33NO2 (319.2511)


{"Ingredient_id": "HBIN015799","Ingredient_name": "alvanidine","Alias": "NA","Ingredient_formula": "C20H33NO2","Ingredient_Smile": "NA","Ingredient_weight": "319.486","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6849","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2s,4s,9ar)-4-(3-hydroxy-4-methoxyphenyl)-octahydro-1h-quinolizin-2-yl acetate

(2s,4s,9ar)-4-(3-hydroxy-4-methoxyphenyl)-octahydro-1h-quinolizin-2-yl acetate

C18H25NO4 (319.1783)


   

(7as)-2-[(5z)-dodec-5-enoyl]-1-hydroxy-5,6,7,7a-tetrahydropyrrolizin-3-one

(7as)-2-[(5z)-dodec-5-enoyl]-1-hydroxy-5,6,7,7a-tetrahydropyrrolizin-3-one

C19H29NO3 (319.2147)


   

6-[(2e,5e)-3,7-dimethylocta-2,5-dien-1-yl]-2,3-dihydroxy-3-methyl-5-propylpyridin-4-one

6-[(2e,5e)-3,7-dimethylocta-2,5-dien-1-yl]-2,3-dihydroxy-3-methyl-5-propylpyridin-4-one

C19H29NO3 (319.2147)


   

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(3-methoxyphenyl)propanoate

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(3-methoxyphenyl)propanoate

C18H25NO4 (319.1783)


   

dodec-5-en-1-yl 4-amino-3-hydroxybenzoate

dodec-5-en-1-yl 4-amino-3-hydroxybenzoate

C19H29NO3 (319.2147)


   

6-[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]-3-methyl-5-propylpyridine-2,4-diol

6-[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]-3-methyl-5-propylpyridine-2,4-diol

C19H29NO3 (319.2147)


   

(1s,2r,10r,16s,18r)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.0²,¹⁰.0²,¹⁶.0¹²,¹⁶]icos-14-en-14-ol

(1s,2r,10r,16s,18r)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.0²,¹⁰.0²,¹⁶.0¹²,¹⁶]icos-14-en-14-ol

C18H29N3O2 (319.226)


   

2-[(1-hydroxy-2-methylpropylidene)amino]-n-(2-phenylethyl)pentanediimidic acid

2-[(1-hydroxy-2-methylpropylidene)amino]-n-(2-phenylethyl)pentanediimidic acid

C17H25N3O3 (319.1896)


   

( )-chloroquine

( )-chloroquine

C18H26ClN3 (319.1815)


   

(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enimidic acid

(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enimidic acid

C19H29NO3 (319.2147)


   

(6e,8r)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enimidic acid

(6e,8r)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enimidic acid

C19H29NO3 (319.2147)


   

(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enimidic acid

(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enimidic acid

C19H29NO3 (319.2147)


   

6-(3,7-dimethylocta-2,5-dien-1-yl)-2,3-dihydroxy-3-methyl-5-propylpyridin-4-one

6-(3,7-dimethylocta-2,5-dien-1-yl)-2,3-dihydroxy-3-methyl-5-propylpyridin-4-one

C19H29NO3 (319.2147)


   

7-(chloromethylidene)-n-(2-phenylethyl)dec-4-enimidic acid

7-(chloromethylidene)-n-(2-phenylethyl)dec-4-enimidic acid

C19H26ClNO (319.1703)


   

[(7s,7ar)-7-{[(2e)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2e)-2-methylbut-2-enoate

[(7s,7ar)-7-{[(2e)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2e)-2-methylbut-2-enoate

C18H25NO4 (319.1783)


   

(2e,6z,8e)-10-[(3-methylbut-2-enoyl)oxy]-n-(2-methylpropyl)deca-2,6,8-trienimidic acid

(2e,6z,8e)-10-[(3-methylbut-2-enoyl)oxy]-n-(2-methylpropyl)deca-2,6,8-trienimidic acid

C19H29NO3 (319.2147)


   

2-{3-ethyl-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl}ethanol

2-{3-ethyl-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl}ethanol

C19H29NO3 (319.2147)


   

[(7r,7as)-7-{[(2z)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate

[(7r,7as)-7-{[(2z)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate

C18H25NO4 (319.1783)


   

2-[(2s,3r,5r,6s)-6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl]propanoic acid

2-[(2s,3r,5r,6s)-6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl]propanoic acid

C18H25NO4 (319.1783)


   

1-hydroxy-4-methoxy-3-methyl-5-octyl-6,7-dihydro-5h-isoquinolin-8-one

1-hydroxy-4-methoxy-3-methyl-5-octyl-6,7-dihydro-5h-isoquinolin-8-one

C19H29NO3 (319.2147)


   

(2e,4s,6s,7r)-9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid

(2e,4s,6s,7r)-9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid

C18H25NO4 (319.1783)


   

2-[(2r,3r,11bs)-3-ethyl-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl]ethanol

2-[(2r,3r,11bs)-3-ethyl-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl]ethanol

C19H29NO3 (319.2147)


   

(1s,2r,10r,11r,16s,18r)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.0²,¹⁰.0²,¹⁶.0¹²,¹⁶]icos-14-en-14-ol

(1s,2r,10r,11r,16s,18r)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.0²,¹⁰.0²,¹⁶.0¹²,¹⁶]icos-14-en-14-ol

C18H29N3O2 (319.226)


   

2-[(1-hydroxynonylidene)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid

2-[(1-hydroxynonylidene)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid

C18H25NO4 (319.1783)


   

(2z)-2-[(1-hydroxynonylidene)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid

(2z)-2-[(1-hydroxynonylidene)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid

C18H25NO4 (319.1783)


   

(4e,7e)-7-(chloromethylidene)-n-(2-phenylethyl)dec-4-enimidic acid

(4e,7e)-7-(chloromethylidene)-n-(2-phenylethyl)dec-4-enimidic acid

C19H26ClNO (319.1703)


   

4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10,12-hexaen-20-ol

4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10,12-hexaen-20-ol

C20H21N3O (319.1685)


   

(1r,4r,5s)-1-[(1r)-cyclohex-2-en-1-ylmethyl]-4-hexyl-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one

(1r,4r,5s)-1-[(1r)-cyclohex-2-en-1-ylmethyl]-4-hexyl-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one

C19H29NO3 (319.2147)


   

4-methoxy-3-methyl-5-[(4e)-3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-ylidene]furan-2-one

4-methoxy-3-methyl-5-[(4e)-3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-ylidene]furan-2-one

C18H25NO4 (319.1783)


   

3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione

3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione

C19H29NO3 (319.2147)


   

4-methoxy-3-methyl-5-[(1s,2r,3s,4e,6r)-3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-ylidene]furan-2-one

4-methoxy-3-methyl-5-[(1s,2r,3s,4e,6r)-3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-ylidene]furan-2-one

C18H25NO4 (319.1783)


   

(5s)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione

(5s)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione

C19H29NO3 (319.2147)


   

1-(1-hydroxy-4-methoxy-3-methyl-5,6,7,8-tetrahydroisoquinolin-6-yl)octan-1-one

1-(1-hydroxy-4-methoxy-3-methyl-5,6,7,8-tetrahydroisoquinolin-6-yl)octan-1-one

C19H29NO3 (319.2147)


   

(8e)-10-[(3-methylbut-2-enoyl)oxy]-n-(2-methylpropyl)deca-2,6,8-trienimidic acid

(8e)-10-[(3-methylbut-2-enoyl)oxy]-n-(2-methylpropyl)deca-2,6,8-trienimidic acid

C19H29NO3 (319.2147)


   

2-{6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl}propanoic acid

2-{6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl}propanoic acid

C18H25NO4 (319.1783)


   

6-(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)-3-methyl-5-propylpyridine-2,4-diol

6-(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)-3-methyl-5-propylpyridine-2,4-diol

C19H29NO3 (319.2147)


   

methyl 5-(11-oxododecyl)pyridine-2-carboxylate

methyl 5-(11-oxododecyl)pyridine-2-carboxylate

C19H29NO3 (319.2147)


   

(5e)-dodec-5-en-1-yl 4-amino-3-hydroxybenzoate

(5e)-dodec-5-en-1-yl 4-amino-3-hydroxybenzoate

C19H29NO3 (319.2147)


   

(7e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enimidic acid

(7e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enimidic acid

C19H29NO3 (319.2147)


   

n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enimidic acid

n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enimidic acid

C19H29NO3 (319.2147)


   

(2e)-4-[(1s,3r,4s,7s)-4-hexyl-6-hydroxy-2-oxa-6-azatricyclo[5.3.0.0¹,³]dec-8-en-10-ylidene]but-2-enoic acid

(2e)-4-[(1s,3r,4s,7s)-4-hexyl-6-hydroxy-2-oxa-6-azatricyclo[5.3.0.0¹,³]dec-8-en-10-ylidene]but-2-enoic acid

C18H25NO4 (319.1783)


   

(2s)-2-[(1-hydroxy-2-methylpropylidene)amino]-n-(2-phenylethyl)pentanediimidic acid

(2s)-2-[(1-hydroxy-2-methylpropylidene)amino]-n-(2-phenylethyl)pentanediimidic acid

C17H25N3O3 (319.1896)


   

4-methyl-6-(octa-1,3-dien-1-yl)-octahydro-1h-quinolizin-3-yl acetate

4-methyl-6-(octa-1,3-dien-1-yl)-octahydro-1h-quinolizin-3-yl acetate

C20H33NO2 (319.2511)