Exact Mass: 331.1955

Exact Mass Matches: 331.1955

Found 144 metabolites which its exact mass value is equals to given mass value 331.1955, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

(+)-Mahanimbine

(+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)pyrano[3,2-a]carbazole

C23H25NO (331.1936)


(±)-Mahanimbine is found in herbs and spices. (±)-Mahanimbine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). (±)-Mahanimbine is found in herbs and spices.

   

(+)-Mahanimbicine

5,13-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,3,7,9,11,13,15-heptaene

C23H25NO (331.1936)


(+)-Mahanimbicine is found in herbs and spices. (+)-Mahanimbicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree (+)-Mahanimbicine is a member of carbazoles. (+)-Mahanimbicine is a natural product found in Murraya koenigii with data available.

   

(±)-Currayangine

3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1^{2,17}.0^{5,20}.0^{6,11}.0^{14,19}]henicosa-1(20),2,4,6,8,10-hexaene

C23H25NO (331.1936)


Currayangine is a member of phenanthridines. Curryangine is a natural product found in Murraya koenigii and Murraya paniculata with data available. (±)-Currayangine is found in herbs and spices. (±)-Currayangine is an alkaloid from the leaves and stem bark of Murraya koenigii (curryleaf tree

   

Isomurrayazoline

8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6,8,10-hexaene

C23H25NO (331.1936)


Isomurrayazoline is found in herbs and spices. Isomurrayazoline is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree

   

Currayanine

13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C23H25NO (331.1936)


Currayanine is found in herbs and spices. Currayanine is an alkaloid from the leaves and stem bark of Murraya koenigii (curryleaf tree

   

Bicyclomahanimbine

13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5,7,9,12-hexaene

C23H25NO (331.1936)


Bicyclomahanimbine is found in herbs and spices. Bicyclomahanimbine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree

   

Bicyclomahanimbicine

8,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5(10),6,8,12-hexaene

C23H25NO (331.1936)


Bicyclomahanimbicine is found in herbs and spices. Bicyclomahanimbicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree

   

5-hydroxy saxagliptin

(1R,3R,5R)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

C18H25N3O3 (331.1896)


5-hydroxy saxagliptin is a metabolite of saxagliptin. Saxagliptin, previously identified as BMS-477118, is a new oral hypoglycemic of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. Early development was solely by Bristol-Myers Squibb; in 2007 AstraZeneca joined with Bristol-Myers Squibb to co-develop the final compound and collaborate on the marketing of the drug. A New Drug Application for saxagliptin in the treatment of type 2 diabetes was submitted to the FDA in June 2008. (Wikipedia)

   

3-methyloctanedioylcarnitine

3-[(7-carboxy-3-methylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C16H29NO6 (331.1995)


3-methyloctanedioylcarnitine is an acylcarnitine. More specifically, it is an 3-methyloctanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-methyloctanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methyloctanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

2,4-dimethylheptanedioylcarnitine

3-[(6-carboxy-2,4-dimethylhexanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C16H29NO6 (331.1995)


2,4-dimethylheptanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,4-dimethylheptanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2,4-dimethylheptanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,4-dimethylheptanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

Nonanedioylcarnitine

3-[(8-carboxyoctanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C16H29NO6 (331.1995)


nonanedioylcarnitine is an acylcarnitine. More specifically, it is an nonanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. nonanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nonanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

Centhaquine

2-{2-[4-(3-methylphenyl)piperazin-1-yl]ethyl}quinoline

C22H25N3 (331.2048)


   

Prizidilol

1-(tert-butylamino)-3-[2-(6-hydrazinylpyridazin-3-yl)phenoxy]propan-2-ol

C17H25N5O2 (331.2008)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

3,7-Dihydro-3,10-dimethyl-3-(4-methyl-3-pentenyl)pyrano[2,3-c]carbazole

3,7-Dihydro-3,10-dimethyl-3-(4-methyl-3-pentenyl)pyrano[2,3-c]carbazole

C23H25NO (331.1936)


   

Murrayamine G

Murrayamine G

C23H25NO (331.1936)


   
   

3,3,5,7-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahamimbin|Bicyclomahanimbin

3,3,5,7-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahamimbin|Bicyclomahanimbin

C23H25NO (331.1936)


   
   

3,3,5,10-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahanimbicin

3,3,5,10-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahanimbicin

C23H25NO (331.1936)


   

5,5,7-trimethyl-2-methylene-1,2,3,4,4a,5,13,13c-octahydro-isochromeno[4,3-a]carbazole|Murrayazolidin

5,5,7-trimethyl-2-methylene-1,2,3,4,4a,5,13,13c-octahydro-isochromeno[4,3-a]carbazole|Murrayazolidin

C23H25NO (331.1936)


   
   
   

alanylasparagyllysine

alanylasparagyllysine

C13H25N5O5 (331.1856)


   
   
   
   

asparagylalanyllysine

asparagylalanyllysine

C13H25N5O5 (331.1856)


   
   
   
   

Mahanimbine

Mahanimbine

C23H25NO (331.1936)


   

MAHANIMBINE

NCGC00160181-01!MAHANIMBINE

C23H25NO (331.1936)


   

C23H25NO_Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)

NCGC00160181-03_C23H25NO_Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)-

C23H25NO (331.1936)


   

mahanimbine_major

mahanimbine_major

C23H25NO (331.1936)


   

Ala Gly Gly Lys

(2S)-6-amino-2-(2-{2-[(2S)-2-aminopropanamido]acetamido}acetamido)hexanoic acid

C13H25N5O5 (331.1856)


   

Ala Gly Lys Gly

2-[(2S)-6-amino-2-{2-[(2S)-2-aminopropanamido]acetamido}hexanamido]acetic acid

C13H25N5O5 (331.1856)


   

Ala Lys Gly Gly

2-{2-[(2S)-6-amino-2-[(2S)-2-aminopropanamido]hexanamido]acetamido}acetic acid

C13H25N5O5 (331.1856)


   

Gly Ala Gly Lys

(2S)-6-amino-2-{2-[(2S)-2-(2-aminoacetamido)propanamido]acetamido}hexanoic acid

C13H25N5O5 (331.1856)


   

Gly Ala Lys Gly

2-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)propanamido]hexanamido]acetic acid

C13H25N5O5 (331.1856)


   

Gly Gly Ala Lys

(2S)-6-amino-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]propanamido]hexanoic acid

C13H25N5O5 (331.1856)


   

Gly Gly Lys Ala

(2S)-2-[(2S)-6-amino-2-[2-(2-aminoacetamido)acetamido]hexanamido]propanoic acid

C13H25N5O5 (331.1856)


   

Gly Lys Ala Gly

2-[(2S)-2-[(2S)-6-amino-2-(2-aminoacetamido)hexanamido]propanamido]acetic acid

C13H25N5O5 (331.1856)


   

Gly Lys Gly Ala

(2S)-2-{2-[(2S)-6-amino-2-(2-aminoacetamido)hexanamido]acetamido}propanoic acid

C13H25N5O5 (331.1856)


   
   
   

Lys Ala Gly Gly

2-{2-[(2S)-2-[(2S)-2,6-diaminohexanamido]propanamido]acetamido}acetic acid

C13H25N5O5 (331.1856)


   

Lys Gly Ala Gly

2-[(2S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}propanamido]acetic acid

C13H25N5O5 (331.1856)


   

Lys Gly Gly Ala

(2S)-2-(2-{2-[(2S)-2,6-diaminohexanamido]acetamido}acetamido)propanoic acid

C13H25N5O5 (331.1856)


   
   
   
   
   
   

Bicyclomahanimbicine

8,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0^{2,14}.0^{3,11}.0^{5,10}.0^{19,21}]henicosa-2,5,7,9,11,13-hexaene

C23H25NO (331.1936)


   

Bicyclomahanimbine

13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0^{2,14}.0^{3,11}.0^{5,10}.0^{19,21}]henicosa-2,5,7,9,11,13-hexaene

C23H25NO (331.1936)


   

curryangin

3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1^{2,17}.0^{5,20}.0^{6,11}.0^{14,19}]henicosa-1(20),2,4,6,8,10-hexaene

C23H25NO (331.1936)


   

(+)-Mahanimbicine

5,13-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,3,7,9,11,13,15-heptaene

C23H25NO (331.1936)


   

Isomurrayazoline

8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1^{2,17}.0^{5,20}.0^{6,11}.0^{14,19}]henicosa-1(20),2,4,6,8,10-hexaene

C23H25NO (331.1936)


   

Curryanine

13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0^{2,14}.0^{3,11}.0^{5,10}]icosa-2,5,7,9,11,13-hexaene

C23H25NO (331.1936)


   

(4-hydroxypiperidin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

(4-hydroxypiperidin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

C18H26BNO4 (331.1955)


   

(R)-(-)-1-CYCLOHEXYLETHYLAMINE

(R)-(-)-1-CYCLOHEXYLETHYLAMINE

C23H25NO (331.1936)


   

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL PIPERIDINE-1-CARBOXYLATE

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL PIPERIDINE-1-CARBOXYLATE

C18H26BNO4 (331.1955)


   

TERT-BUTYL 4-(3-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE

TERT-BUTYL 4-(3-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE

C18H25N3O3 (331.1896)


   

Hydroxy Saxagliptin

5-hydroxy saxagliptin

C18H25N3O3 (331.1896)


D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

4-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester

4-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester

C18H26BNO4 (331.1955)


   

ZM39923

3-[Benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one

C23H25NO (331.1936)


   
   

TETRAPROPYLAMMONIUM HEXAFLUOROPHOSPHATE

TETRAPROPYLAMMONIUM HEXAFLUOROPHOSPHATE

C12H28F6NP (331.1863)


   

1-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-4-yl]imidazolidin-2-one

C18H25N3O3 (331.1896)


   

1-(4-morpholinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Ethanone

1-(4-morpholinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Ethanone

C18H26BNO4 (331.1955)


   

(S)-(+)-2-DIBENZYLAMINO-3-PHENYL-1-PROPANOL

(S)-(+)-2-DIBENZYLAMINO-3-PHENYL-1-PROPANOL

C23H25NO (331.1936)


   

azanium,butyl prop-2-enoate,ethyl prop-2-enoate,2-methylprop-2-enoate

azanium,butyl prop-2-enoate,ethyl prop-2-enoate,2-methylprop-2-enoate

C16H29NO6 (331.1995)


   

Decitropine

Decitropine

C23H25NO (331.1936)


   
   

2-[[(3R,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-yl]oxy]-N,N-dimethyl-ethanamine

2-[[(3R,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-yl]oxy]-N,N-dimethyl-ethanamine

C16H29NO6 (331.1995)


   

N-(tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-(tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C18H26BNO4 (331.1955)


   

3-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester

3-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester

C18H26BNO4 (331.1955)


   

Centhaquine

Centhaquine

C22H25N3 (331.2048)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine

C22H25N3 (331.2048)


   

L-Glutamine, L-lysylglycyl-

L-Glutamine, L-lysylglycyl-

C13H25N5O5 (331.1856)


   

1-[(2r)-2-Aminobutanoyl]-N-(4-Carbamimidoylbenzyl)-L-Prolinamide

1-[(2r)-2-Aminobutanoyl]-N-(4-Carbamimidoylbenzyl)-L-Prolinamide

C17H25N5O2 (331.2008)


   

Deoxycohumulone

Deoxycohumulone

C20H27O4- (331.1909)


   

Gibberellin A14-aldehyde

Gibberellin A14-aldehyde

C20H27O4- (331.1909)


   

Carnosate

Carnosate

C20H27O4- (331.1909)


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of carnosic acid. The major species at pH 7.3.

   

4-{3-[(1E,3E,5E,8E,10E,12R)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate

4-{3-[(1E,3E,5E,8E,10E,12R)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate

C20H27O4- (331.1909)


   

(11S,16S)-7-oxo-ent-kauran-11,16-epoxy-19-oate

(11S,16S)-7-oxo-ent-kauran-11,16-epoxy-19-oate

C20H27O4- (331.1909)


   

(1R,2S,4R,5R,8R,9S,11S)-9-formyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate

(1R,2S,4R,5R,8R,9S,11S)-9-formyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate

C20H27O4- (331.1909)


   

3-methyloctanedioylcarnitine

3-methyloctanedioylcarnitine

C16H29NO6 (331.1995)


   

2,4-dimethylheptanedioylcarnitine

2,4-dimethylheptanedioylcarnitine

C16H29NO6 (331.1995)


   

1-(3,4-Dimethylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine

1-(3,4-Dimethylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine

C22H25N3 (331.2048)


   

5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate

5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate

C20H27O4- (331.1909)


An epoxy hydroxyeicosapentaenoate anion arising from deprotonation of the carboxylic acid function of 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoic acid; major species at pH 7.3.

   

(1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate

(1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate

C20H27O4- (331.1909)


   

(4S)-4,16-dihydroxyretinoate

(4S)-4,16-dihydroxyretinoate

C20H27O4- (331.1909)


   

4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate

4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate

C20H27O4- (331.1909)


   

(5S,6S)-epoxy-(18S)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate

(5S,6S)-epoxy-(18S)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate

C20H27O4- (331.1909)


   
   
   

(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,10,13,17-tetraen-1-oate

(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,10,13,17-tetraen-1-oate

C20H27O4- (331.1909)


   
   
   
   
   
   
   
   
   
   
   

N-{5-ethyl-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide

N-{5-ethyl-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide

C18H25N3O3 (331.1896)


   

(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,8(12),13,17-tetraen-1-oate

(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,8(12),13,17-tetraen-1-oate

C20H27O4- (331.1909)


   

(5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoate

(5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoate

C20H27O4- (331.1909)


   

All-trans-4,18-dihydroxyretinoate

All-trans-4,18-dihydroxyretinoate

C20H27O4- (331.1909)


   

All-trans-4,16-dihydroxyretinoate

All-trans-4,16-dihydroxyretinoate

C20H27O4- (331.1909)


   

Delta(12)-prostaglandin J3(1-)

Delta(12)-prostaglandin J3(1-)

C20H27O4- (331.1909)


A prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

2-(2-Hydroxyethoxy)-N-(2-diethylaminoethyl)-4-quinolinecarboxamide

2-(2-Hydroxyethoxy)-N-(2-diethylaminoethyl)-4-quinolinecarboxamide

C18H25N3O3 (331.1896)


   

2-(3-Hydroxybutoxy)-N-[2-(ethylamino)ethyl]-4-quinolinecarboxamide

2-(3-Hydroxybutoxy)-N-[2-(ethylamino)ethyl]-4-quinolinecarboxamide

C18H25N3O3 (331.1896)


   

2-(3-Hydroxybutoxy)-N-(2-(dimethylamino)ethyl)-4-quinolinecarboxamide

2-(3-Hydroxybutoxy)-N-(2-(dimethylamino)ethyl)-4-quinolinecarboxamide

C18H25N3O3 (331.1896)


   

Currayanine

Currayanine

C23H25NO (331.1936)


   

prostaglandin A3(1-)

prostaglandin A3(1-)

C20H27O4 (331.1909)


A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin A3, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

prostaglandin J3(1-)

prostaglandin J3(1-)

C20H27O4 (331.1909)


A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

sordaricin(1-)

sordaricin(1-)

C20H27O4 (331.1909)


A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3.

   

prostaglandin B3(1-)

prostaglandin B3(1-)

C20H27O4 (331.1909)


A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate

5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate

C20H27O4 (331.1909)


A 5(),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate in which the 12-hydroxy group has S-configuration.

   
   
   

Acid Ceramidase-IN-1

Acid Ceramidase-IN-1

C18H25N3O3 (331.1896)


Acid Ceramidase-IN-1 is a potent and oral bioavailable acid ceramidase (AC, ASAH-1) inhibitor (hAC IC50=0.166 μM). Acid Ceramidase-IN-1 has excellent brain penetration in mice[1].

   

3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole

3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole

C23H25NO (331.1936)


   

(3r)-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole

(3r)-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole

C23H25NO (331.1936)


   

(14s,19r)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

(14s,19r)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

C23H25NO (331.1936)


   

bicyclomahanimbicine

NA

C23H25NO (331.1936)


{"Ingredient_id": "HBIN018471","Ingredient_name": "bicyclomahanimbicine","Alias": "NA","Ingredient_formula": "C23H25NO","Ingredient_Smile": "CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C5C6C(C5(C)C)CCC6(O4)C","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2354","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102235879","DrugBank_id": "NA"}

   

3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

C23H25NO (331.1936)


   

(3s)-3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole

(3s)-3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole

C23H25NO (331.1936)


   

(14s,17r,19r)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

(14s,17r,19r)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

C23H25NO (331.1936)


   

2-[(2-{[2,6-diamino-1-hydroxy-6-(c-hydroxycarbonimidoyl)hexylidene]amino}-1-hydroxypropylidene)amino]propanoic acid

2-[(2-{[2,6-diamino-1-hydroxy-6-(c-hydroxycarbonimidoyl)hexylidene]amino}-1-hydroxypropylidene)amino]propanoic acid

C13H25N5O5 (331.1856)


   

13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5(10),6,8,12-hexaene

13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5(10),6,8,12-hexaene

C23H25NO (331.1936)


   

(1s,16s,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

(1s,16s,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C23H25NO (331.1936)


   

8,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

8,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C23H25NO (331.1936)


   

(14r,17s,19s)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

(14r,17s,19s)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

C23H25NO (331.1936)


   

(1r,16r,19s,21r)-13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5(10),6,8,12-hexaene

(1r,16r,19s,21r)-13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5(10),6,8,12-hexaene

C23H25NO (331.1936)


   

(3r)-3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole

(3r)-3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole

C23H25NO (331.1936)


   

(3r)-3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole

(3r)-3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole

C23H25NO (331.1936)


   

(3s)-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole

(3s)-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole

C23H25NO (331.1936)


   

(14r,17s,19s)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

(14r,17s,19s)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

C23H25NO (331.1936)


   

8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene

C23H25NO (331.1936)