NCBI Taxonomy: 85808

Astroscleridae (ncbi_taxid: 85808)

found 22 associated metabolites at family taxonomy rank level.

Ancestor: Agelasida

Child Taxonomies: Astrosclera, Ceratoporella, Stromatospongia, unclassified Astroscleridae

Trigonelline

Trigonelline hydrochloride

C7H7NO2 (137.0477)


MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; WWNNZCOKKKDOPX-UHFFFAOYSA-N_STSL_0022_Trigonelline (chloride)_0125fmol_180416_S2_LC02_MS02_26; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Trigonelline is an alkaloid with potential antidiabetic activity that can be isolated from Trigonella foenum-graecum L or Leonurus artemisia. Trigonelline is a potent Nrf2 inhibitor that blocks Nrf2-dependent proteasome activity, thereby enhancing apoptosis in pancreatic cancer cells. Trigonelline also has anti-HSV-1, antibacterial, and antifungal activity and induces ferroptosis. Trigonelline is an alkaloid with potential antidiabetic activity that can be isolated from Trigonella foenum-graecum L or Leonurus artemisia. Trigonelline is a potent Nrf2 inhibitor that blocks Nrf2-dependent proteasome activity, thereby enhancing apoptosis in pancreatic cancer cells. Trigonelline also has anti-HSV-1, antibacterial, and antifungal activity and induces ferroptosis.

   

1,3-dimethylimidazol-1-ium-4-carboxylate

1,3-dimethylimidazol-1-ium-4-carboxylate

C6H8N2O2 (140.0586)


   

4-bromo-n-{[(5r,6s,7s)-6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

4-bromo-n-{[(5r,6s,7s)-6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

C23H25Br3N10O2 (709.9712)


   

(4s,6r)-1,6-dimethyl-6-[(1h-pyrrole-2-carbonyloxy)methyl]-4,5-dihydropyrimidine-4-carboxylic acid

(4s,6r)-1,6-dimethyl-6-[(1h-pyrrole-2-carbonyloxy)methyl]-4,5-dihydropyrimidine-4-carboxylic acid

C13H17N3O4 (279.1219)


   

4,5-dibromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

4,5-dibromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

C23H25Br3N10O2 (709.9712)


   

4,5-dibromo-n-{[(4r,5r,6s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1h-pyrrole-2-carboxamide

4,5-dibromo-n-{[(4r,5r,6s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1h-pyrrole-2-carboxamide

C22H23Br3N10O2 (695.9555)


   

4-bromo-n-{[(4s,5s,6r)-6-{[(4-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

4-bromo-n-{[(4s,5s,6r)-6-{[(4-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

C24H28Br2N10O2 (646.0763)


   

4-bromo-n-[(6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-n-[(6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C23H25Br3N10O2 (709.9712)


   

4,5-dibromo-n-[(6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

4,5-dibromo-n-[(6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C23H24Br4N10O2 (787.8817)


   

5-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

5-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

C23H26Br2N10O2 (632.0607)


   

4,5-dibromo-n-{[(5r,6s,7s)-6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

4,5-dibromo-n-{[(5r,6s,7s)-6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

C23H24Br4N10O2 (787.8817)


   

4-bromo-n-[(6-{[(5-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-n-[(6-{[(5-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C24H28Br2N10O2 (646.0763)


   

4,5-dibromo-n-{[(5s,6r,7r)-6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1h-pyrrole-2-carboxamide

4,5-dibromo-n-{[(5s,6r,7r)-6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1h-pyrrole-2-carboxamide

C22H22Br4N10O2 (773.8661)


   

5-bromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

5-bromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C23H26Br2N10O2 (632.0607)


   

4-bromo-n-{[(4s,5s,6r)-6-{[(5-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

4-bromo-n-{[(4s,5s,6r)-6-{[(5-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

C24H28Br2N10O2 (646.0763)


   

4,5-dibromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1h-pyrrole-2-carboxamide

4,5-dibromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-4-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1h-pyrrole-2-carboxamide

C22H23Br3N10O2 (695.9555)


   

1,6-dimethyl-6-[(1h-pyrrole-2-carbonyloxy)methyl]-4,5-dihydropyrimidine-4-carboxylic acid

1,6-dimethyl-6-[(1h-pyrrole-2-carbonyloxy)methyl]-4,5-dihydropyrimidine-4-carboxylic acid

C13H17N3O4 (279.1219)


   

4-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

4-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide

C23H26Br2N10O2 (632.0607)


   

4,5-dibromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

4,5-dibromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C23H25Br3N10O2 (709.9712)


   

4-bromo-n-[(6-{[(4-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-n-[(6-{[(4-bromo-1-methylpyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C24H28Br2N10O2 (646.0763)


   

4,5-dibromo-n-[(6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1h-pyrrole-2-carboxamide

4,5-dibromo-n-[(6-{[(4,5-dibromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1h-pyrrole-2-carboxamide

C22H22Br4N10O2 (773.8661)


   

4-bromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-n-[(6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C23H26Br2N10O2 (632.0607)