Exact Mass: 306.1666

Exact Mass Matches: 306.1666

Found 154 metabolites which its exact mass value is equals to given mass value 306.1666, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Bz-Arg-OEt

ethyl 5-{[amino(imino)methyl]amino}-2-(benzoylamino)pentanoate

C15H22N4O3 (306.1692)


KEIO_ID B026; [MS3] KO008890 KEIO_ID B026; [MS2] KO008889 KEIO_ID B026

   

Fenazaquin

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline

C20H22N2O (306.1732)


   

N1-trans-Feruloylagmatine

(2E)-N-(4-carbamimidamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C15H22N4O3 (306.1692)


N1-trans-Feruloylagmatine is found in cereals and cereal products. N1-trans-Feruloylagmatine is isolated from Triticum aestivum (wheat) exposed to low temps. Isolated from Triticum aestivum (wheat) exposed to low temps. N1-trans-Feruloylagmatine is found in wheat and cereals and cereal products.

   

koumine

(1R,10R,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.0^{2,10.0^{4,9.0^{10,15.0^{12,17]icosa-2,4,6,8-tetraene

C20H22N2O (306.1732)


15-Ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene is a member of indoles. CID 5318846 is a natural product found in Gelsemium elegans with data available. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2]. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2].

   

1-(beta-D-Glucopyranosyloxy)-3-octanone

1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octan-3-one

C14H26O7 (306.1678)


1-(beta-D-Glucopyranosyloxy)-3-octanone is found in fruits. 1-(beta-D-Glucopyranosyloxy)-3-octanone is a constituent of the fruit of Carica pubescens (mountain papaya) Constituent of the fruit of Carica pubescens (mountain papaya). 1-(beta-D-Glucopyranosyloxy)-3-octanone is found in fruits.

   

(1R,10R,12S,15S,16R,17S)-15-Ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene

(1R,10R,12S,15S,16R,17S)-15-Ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene

C20H22N2O (306.1732)


   

(R)-Ruxolitinib

3-cyclopentyl-3-(4-{1H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile

C17H18N6 (306.1593)


   

Bz-Arg-OEt

Ethyl 5-{[amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid

C15H22N4O3 (306.1692)


   

Inproquone

2,5-bis(aziridin-1-yl)-3,6-dipropoxycyclohexa-2,5-diene-1,4-dione

C16H22N2O4 (306.1579)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent

   

Propentofylline

3-methyl-1-(5-oxohexyl)-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C15H22N4O3 (306.1692)


N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BC - Xanthine derivatives D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents

   

koumine

(4aR,6R,11cS)-2-methyl-11c-vinyl-1,2,3,4,4a,5,6,11c-octahydro-6,4-(epoxymethano)-3,11b-methanopyrido[4,3-c]carbazole

C20H22N2O (306.1732)


Annotation level-1 Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2]. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2].

   

Demethoxypurpeline

Demethoxypurpeline

C20H22N2O (306.1732)


   

Creoside II

Creoside II

C14H26O7 (306.1678)


   

Antibiotic KO 7888C

Antibiotic KO 7888C

C16H22N2O4 (306.1579)


   
   
   

Ochrosamine B

Ochrosamine B

C20H22N2O (306.1732)


   

Endiandric acid A

Endiandric acid A

C21H22O2 (306.162)


   

propentofylline

propentofylline

C15H22N4O3 (306.1692)


N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BC - Xanthine derivatives D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents

   
   
   

(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C16H22N2O4 (306.1579)


   

DTXSID70891649

DTXSID70891649

C14H26O7 (306.1678)


   

N-Feruloylagmatine

N-Feruloylagmatine

C15H22N4O3 (306.1692)


   
   

11-methoxy-Delta14-vincamenine

11-methoxy-Delta14-vincamenine

C20H22N2O (306.1732)


   

endiandric acid D

endiandric acid D

C21H22O2 (306.162)


   
   

5,6,7,8,3,4-hexamethyl flavone

5,6,7,8,3,4-hexamethyl flavone

C21H22O2 (306.162)


   

dehydro-16-epiaffinisine

dehydro-16-epiaffinisine

C20H22N2O (306.1732)


   

endiandric acid|Endiandric acid A

endiandric acid|Endiandric acid A

C21H22O2 (306.162)


   
   

3,3,4,5,7,8-Hexamethylflavone

3,3,4,5,7,8-Hexamethylflavone

C21H22O2 (306.162)


   

methyl 2-chloro-2-carboxy-6,10-dimethylundecanoate

methyl 2-chloro-2-carboxy-6,10-dimethylundecanoate

C15H27ClO4 (306.1598)


   

Cannabioxepane

Cannabioxepane

C21H22O2 (306.162)


   

MCULE-8655628063

MCULE-8655628063

C16H22N2O4 (306.1579)


   

SCHEMBL18838054

SCHEMBL18838054

C21H22O2 (306.162)


   

Kingianic acid F

Kingianic acid F

C21H22O2 (306.162)


   

Norfluorocurarine

Norfluorocurarine

C20H22N2O (306.1732)


   

8-methyl-6-prenylflavanone

8-methyl-6-prenylflavanone

C21H22O2 (306.162)


   

Peduncularistine

Peduncularistine

C20H22N2O (306.1732)


   

Na-methyl-vellosimine

!Na-Methylvellosimine-Vellosimine|Na-methyl-vellosimine

C20H22N2O (306.1732)


   

N(1)-formyl-14,15-didehydroaspidofractinine

N(1)-formyl-14,15-didehydroaspidofractinine

C20H22N2O (306.1732)


   

(+)-makonine|Makonine

(+)-makonine|Makonine

C20H22N2O (306.1732)


   

6-methyl-8-prenylflavanone

6-methyl-8-prenylflavanone

C21H22O2 (306.162)


   

Ruxolitinib (INCB018424)

Ruxolitinib (INCB018424)

C17H18N6 (306.1593)


   

(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C16H22N2O4 (306.1579)


   

Fenazaquin

Pesticide4_Fenazaquin_C20H22N2O_4-{2-[4-(2-Methyl-2-propanyl)phenyl]ethoxy}quinazoline

C20H22N2O (306.1732)


CONFIDENCE Reference Standard (Level 1); Source fenazaquin_30102013_12_HCD30_pos.txt

   

C16H22N2O4_N-Acetylphenylalanylvaline

NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline

C16H22N2O4 (306.1579)


   

1COOH-2But-A7EO2-OCH2COOH

1COOH-2But-A7EO2-OCH2COOH

C14H26O7 (306.1678)


Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities

   

Feruloyl agmatine (isomer of 1607)

Feruloyl agmatine (isomer of 1607)

C15H22N4O3 (306.1692)


Annotation level-3

   

Feruloyl agmatine (isomer of 1608)

Feruloyl agmatine (isomer of 1608)

C15H22N4O3 (306.1692)


Annotation level-3

   

(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]

NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]

C16H22N2O4 (306.1579)


   

(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848669]

NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848669]

C16H22N2O4 (306.1579)


   

(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based: Match]

NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based: Match]

C16H22N2O4 (306.1579)


   

1-(b-D-Glucopyranosyloxy)-3-octanone

1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octan-3-one

C14H26O7 (306.1678)


   

(2E)-N-(4-Acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide

(2E)-N-(4-Acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide

C16H22N2O4 (306.1579)


   

Chlorosphaerolactylate B

2-(12-chloro-dodecanoyloxy)-propanoic acid

C15H27O4Cl (306.1598)


   

Chlorosphaerolactylate C

2-(6-chloro-dodecanoyloxy)-propanoic acid

C15H27O4Cl (306.1598)


   

1-Boc-4-(4-nitrophenyl)Piperidine

1-Boc-4-(4-nitrophenyl)Piperidine

C16H22N2O4 (306.1579)


   

(-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE

(-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE

C18H28P2 (306.1666)


   

Ruxolitinib

Ruxolitinib

C17H18N6 (306.1593)


D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EJ - Janus-associated kinase (jak) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-(8-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPANOIC ACID

3-(8-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPANOIC ACID

C16H22N2O4 (306.1579)


   

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

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

C16H23BO5 (306.1638)


   

4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid

4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid

C16H22N2O4 (306.1579)


   

4-CYANOBENZYLIDENE-4-N-HEXYLOXYANILINE

4-CYANOBENZYLIDENE-4-N-HEXYLOXYANILINE

C20H22N2O (306.1732)


   

4-(3-Ethylthioureido)phenylboronic acid, pinacol ester

4-(3-Ethylthioureido)phenylboronic acid, pinacol ester

C15H23BN2O2S (306.1573)


   

tert-Butyl 5-fluorospiro[indoline-3,4-piperidine]-1-carboxylate

tert-Butyl 5-fluorospiro[indoline-3,4-piperidine]-1-carboxylate

C17H23FN2O2 (306.1743)


   

3-N-CBZ-AMINO-3-PIPERIDINE-PROPIONIC ACID

3-N-CBZ-AMINO-3-PIPERIDINE-PROPIONIC ACID

C16H22N2O4 (306.1579)


   

2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid

2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid

C16H22N2O4 (306.1579)


   

1-BENZYL-3-METHYL-PIPERAZINE MONOFUMARATE

1-BENZYL-3-METHYL-PIPERAZINE MONOFUMARATE

C16H22N2O4 (306.1579)


   

(4-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYL)BORONIC ACID

(4-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYL)BORONIC ACID

C15H23BN2O4 (306.1751)


   

2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoxaline-6-carboxylic acid

2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoxaline-6-carboxylic acid

C16H22N2O4 (306.1579)


   

3-benzo[1,3]dioxol-5-yl-piperazine-1-carboxylic acid tert-butyl ester

3-benzo[1,3]dioxol-5-yl-piperazine-1-carboxylic acid tert-butyl ester

C16H22N2O4 (306.1579)


   

Tert-Butyl 5-Fluorospiro[Indoline-3,4-Piperidine]-1-Carboxylate

Tert-Butyl 5-Fluorospiro[Indoline-3,4-Piperidine]-1-Carboxylate

C17H23FN2O2 (306.1743)


   

4-METHOXYPHENYLACETYLENE

4-METHOXYPHENYLACETYLENE

C16H22N2O4 (306.1579)


   

BENZYL 4-(METHOXY(METHYL)CARBAMOYL)PIPERIDINE-1-CARBOXYLATE

BENZYL 4-(METHOXY(METHYL)CARBAMOYL)PIPERIDINE-1-CARBOXYLATE

C16H22N2O4 (306.1579)


   

METHYL 3-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE

METHYL 3-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE

C16H23BO5 (306.1638)


   

4-N-HEXYLOXYBENZYLIDENE-4-CYANOANILINE

4-N-HEXYLOXYBENZYLIDENE-4-CYANOANILINE

C20H22N2O (306.1732)


   

3-(4-Boc-1-piperazinyl)benzoic Acid

3-(4-Boc-1-piperazinyl)benzoic Acid

C16H22N2O4 (306.1579)


   

(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE

(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE

C16H22N2O4 (306.1579)


   

7-(Diphenylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

7-(Diphenylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

C20H22N2O (306.1732)


   

2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-3-pyridinecarboxylic acid ammonium salt

2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-3-pyridinecarboxylic acid ammonium salt

C15H22N4O3 (306.1692)


   

2,5-Dibenzyl-2,5-diazaspiro[3.4]octan-1-one

2,5-Dibenzyl-2,5-diazaspiro[3.4]octan-1-one

C20H22N2O (306.1732)


   

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

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

C15H23BN2O4 (306.1751)


   

1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-4-YL)PIPERIDINE-4-CARBOXYLIC ACID

1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-4-YL)PIPERIDINE-4-CARBOXYLIC ACID

C16H22N2O4 (306.1579)


   

1-(2-{2-[(Allyloxy)methyl]-4-nitrophenoxy}ethyl)pyrrolidine

1-(2-{2-[(Allyloxy)methyl]-4-nitrophenoxy}ethyl)pyrrolidine

C16H22N2O4 (306.1579)


   

ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETATE

ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETATE

C16H23BO5 (306.1638)


   

tert-Butyl 4-(3-formyl-4-hydroxyphenyl)piperazine-1-carboxylate

tert-Butyl 4-(3-formyl-4-hydroxyphenyl)piperazine-1-carboxylate

C16H22N2O4 (306.1579)


   

1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID

1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID

C16H22N2O4 (306.1579)


   

5-[4-(2-METHOXY-PHENYL)-PIPERAZIN-1-YL]-5-OXO-PENTANOIC ACID

5-[4-(2-METHOXY-PHENYL)-PIPERAZIN-1-YL]-5-OXO-PENTANOIC ACID

C16H22N2O4 (306.1579)


   

1-(1H-indol-5-yl)-ethylamine adipate

1-(1H-indol-5-yl)-ethylamine adipate

C16H22N2O4 (306.1579)


   

N-Isopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

N-Isopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C15H23BN2O4 (306.1751)


   

1-(1-Piperazinyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one

1-(1-Piperazinyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one

C16H22N2O4 (306.1579)


   

S-Ruxolitinib

S-Ruxolitinib

C17H18N6 (306.1593)


   

[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ACETIC ACID ETHYL ESTER

[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ACETIC ACID ETHYL ESTER

C16H23BO5 (306.1638)


   

(+)-1,2-bis-((2S,5S)-2,5-Dimethylphospholano)benzene

(+)-1,2-bis-((2S,5S)-2,5-Dimethylphospholano)benzene

C18H28P2 (306.1666)


   

1-Piperazinecarboxylic acid, 4-[6-(formylamino)-3-pyridinyl]-, 1,1-dimethylethyl ester

1-Piperazinecarboxylic acid, 4-[6-(formylamino)-3-pyridinyl]-, 1,1-dimethylethyl ester

C15H22N4O3 (306.1692)


   

Deuruxolitinib

Deuruxolitinib

C17H18N6 (306.1593)


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 > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor

   

1-Octanoyl-beta-D-glucopyranoside

1-Octanoyl-beta-D-glucopyranoside

C14H26O7 (306.1678)


   

3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile

3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile

C17H18N6 (306.1593)


   

[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

C17H24NO4+ (306.1705)


   

N-dodecanoyltaurine(1-)

N-dodecanoyltaurine(1-)

C14H28NO4S- (306.1739)


A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-dodecanoyltaurine; major species at pH 7.3.

   

N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide

N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide

C17H23FN2O2 (306.1743)


   

(6S)-6-hydroxyhyoscyaminium

(6S)-6-hydroxyhyoscyaminium

C17H24NO4+ (306.1705)


   

1-(beta-D-Glucopyranosyloxy)-3-octanone

1-(beta-D-Glucopyranosyloxy)-3-octanone

C14H26O7 (306.1678)


   

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

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

C14H26O7 (306.1678)


   

(3R,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyoctanoic acid

(3R,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyoctanoic acid

C14H26O7 (306.1678)


   

(Z)-4-hydroxy-3-methoxycinnamoylagmatine

(Z)-4-hydroxy-3-methoxycinnamoylagmatine

C15H22N4O3 (306.1692)


   

(10-Methyl-9-anthryl)methyl pivalate

(10-Methyl-9-anthryl)methyl pivalate

C21H22O2 (306.162)


   

Feruloylagmatine

Feruloylagmatine

C15H22N4O3 (306.1692)


A member of the class of cinnamamides obtained by formal condensation of the carboxy group of ferulic acid with the amino group of agmatine.

   

CASIN

CASIN

C20H22N2O (306.1732)


CASIN is a selective GTPase Cdc42 inhibitor with an IC50 of 2 uM. CASIN can be used for the research of cancer[1][2].

   

(1r,9r,12s,13e,17s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

(1r,9r,12s,13e,17s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

C20H22N2O (306.1732)


   

8-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

8-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

C21H22O2 (306.162)


   

(3r,6r)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

(3r,6r)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

C16H22N2O4 (306.1579)


   

3-{4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-2-ene-2-carbonyl}-1h-indole

3-{4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-2-ene-2-carbonyl}-1h-indole

C20H22N2O (306.1732)


   

(2e)-n-(4-carbamimidamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid

(2e)-n-(4-carbamimidamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid

C15H22N4O3 (306.1692)


   

13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

C20H22N2O (306.1732)


   

6-methyl-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

6-methyl-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

C21H22O2 (306.162)


   

(15s)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.0²,¹⁰.0⁴,⁹.0¹⁰,¹⁵.0¹²,¹⁷]icosa-2,4,6,8-tetraene

(15s)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.0²,¹⁰.0⁴,⁹.0¹⁰,¹⁵.0¹²,¹⁷]icosa-2,4,6,8-tetraene

C20H22N2O (306.1732)


   

3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol

3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol

C16H22N2O4 (306.1579)


   

(3s,6r)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

(3s,6r)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

C16H22N2O4 (306.1579)


   

12-methyl-8-methylidene-3-pentyl-6,16-dioxatetracyclo[11.2.1.0⁵,¹⁵.0⁹,¹⁴]hexadeca-1(15),2,4,9,11,13-hexaene

12-methyl-8-methylidene-3-pentyl-6,16-dioxatetracyclo[11.2.1.0⁵,¹⁵.0⁹,¹⁴]hexadeca-1(15),2,4,9,11,13-hexaene

C21H22O2 (306.162)


   

{7-phenyltetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-dien-2-yl}acetic acid

{7-phenyltetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-dien-2-yl}acetic acid

C21H22O2 (306.162)


   

(1r,9r,10s,12s,13e,16s,17s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

(1r,9r,10s,12s,13e,16s,17s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

C20H22N2O (306.1732)


   

(4z,6e,8e)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

(4z,6e,8e)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

C16H22N2O4 (306.1579)


   

[(1s,6r,7r,8r)-8-[(2e,4e)-5-phenylpenta-2,4-dien-1-yl]bicyclo[4.2.0]octa-2,4-dien-7-yl]acetic acid

[(1s,6r,7r,8r)-8-[(2e,4e)-5-phenylpenta-2,4-dien-1-yl]bicyclo[4.2.0]octa-2,4-dien-7-yl]acetic acid

C21H22O2 (306.162)


   

1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8,12-pentaen-11-one

1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8,12-pentaen-11-one

C20H22N2O (306.1732)


   

3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

C16H22N2O4 (306.1579)


   

3-[(1s,5s)-4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-2-ene-2-carbonyl]-1h-indole

3-[(1s,5s)-4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-2-ene-2-carbonyl]-1h-indole

C20H22N2O (306.1732)


   

(3s,6s)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

(3s,6s)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

C16H22N2O4 (306.1579)


   

2-[(6-hydroxy-2-methylhept-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(6-hydroxy-2-methylhept-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H26O7 (306.1678)


   

3-benzyl-3,5-dihydroxy-6-(methylamino)-6-(2-methylpropyl)-1,4-oxazin-2-one

3-benzyl-3,5-dihydroxy-6-(methylamino)-6-(2-methylpropyl)-1,4-oxazin-2-one

C16H22N2O4 (306.1579)


   

(1r,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8,12-pentaen-11-one

(1r,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8,12-pentaen-11-one

C20H22N2O (306.1732)


   

(2r,3r,4s,5r,6r)-2-{[(2e,6s)-6-hydroxy-2-methylhept-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5r,6r)-2-{[(2e,6s)-6-hydroxy-2-methylhept-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C14H26O7 (306.1678)


   

(3s,4e,6e,8e,10s)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

(3s,4e,6e,8e,10s)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

C16H22N2O4 (306.1579)


   

2-[(5-hydroxy-3-isopropylpent-3-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(5-hydroxy-3-isopropylpent-3-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H26O7 (306.1678)


   

(3s,6s)-3-benzyl-3,5-dihydroxy-6-(methylamino)-6-(2-methylpropyl)-1,4-oxazin-2-one

(3s,6s)-3-benzyl-3,5-dihydroxy-6-(methylamino)-6-(2-methylpropyl)-1,4-oxazin-2-one

C16H22N2O4 (306.1579)


   

(3r,4z,6e,8e,10s)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

(3r,4z,6e,8e,10s)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

C16H22N2O4 (306.1579)


   

3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

C16H22N2O4 (306.1579)


   

(2s)-8-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

(2s)-8-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

C21H22O2 (306.162)


   

(4z,6z,8e)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

(4z,6z,8e)-3,10-dihydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

C16H22N2O4 (306.1579)


   

(13z)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

(13z)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one

C20H22N2O (306.1732)


   

(3r,6s)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

(3r,6s)-3-benzyl-6-methoxy-6-(2-methylpropyl)pyrazine-2,3,5-triol

C16H22N2O4 (306.1579)


   

(2r,3r,4s,5s,6r)-2-{[(2e,6s)-6-hydroxy-2-methylhept-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(2e,6s)-6-hydroxy-2-methylhept-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C14H26O7 (306.1678)


   

(3r,6r)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol

(3r,6r)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol

C16H22N2O4 (306.1579)


   

1-[(1r,9s,11r,17s)-8-methyl-10-methylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraen-12-yl]ethanone

1-[(1r,9s,11r,17s)-8-methyl-10-methylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraen-12-yl]ethanone

C20H22N2O (306.1732)


   

(2r,3r,4s,5s,6r)-2-{[(3z)-5-hydroxy-3-isopropylpent-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(3z)-5-hydroxy-3-isopropylpent-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C14H26O7 (306.1678)


   

(3r,6r)-3-benzyl-3,5-dihydroxy-6-(methylamino)-6-(2-methylpropyl)-1,4-oxazin-2-one

(3r,6r)-3-benzyl-3,5-dihydroxy-6-(methylamino)-6-(2-methylpropyl)-1,4-oxazin-2-one

C16H22N2O4 (306.1579)


   

[8-(5-phenylpenta-2,4-dien-1-yl)bicyclo[4.2.0]octa-2,4-dien-7-yl]acetic acid

[8-(5-phenylpenta-2,4-dien-1-yl)bicyclo[4.2.0]octa-2,4-dien-7-yl]acetic acid

C21H22O2 (306.162)


   

(2s)-6-methyl-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

(2s)-6-methyl-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

C21H22O2 (306.162)


   

(1r,2s,3r,11r,12r,14r)-10,16-diazaheptacyclo[9.8.2.1¹,¹².0²,¹⁶.0³,¹¹.0³,¹⁴.0⁴,⁹]docosa-4,6,8-trien-13-one

(1r,2s,3r,11r,12r,14r)-10,16-diazaheptacyclo[9.8.2.1¹,¹².0²,¹⁶.0³,¹¹.0³,¹⁴.0⁴,⁹]docosa-4,6,8-trien-13-one

C20H22N2O (306.1732)