NCBI Taxonomy: 4186

Annotation level-3

N1,N10-Dicoumaroylspermidine

(2E)-3-(4-hydroxyphenyl)-N-[3-({4-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}amino)propyl]prop-2-enamide

N1,N10-Dicoumaroylspermidine is found in fats and oils. N1,N10-Dicoumaroylspermidine is an alkaloid from Helianthus annuus (sunflower) Vicia faba and Pyrus communis (pear). Alkaloid from Helianthus annuus (sunflower) Vicia faba and Pyrus communis (pear). N1,N10-Dicoumaroylspermidine is found in pomes, fats and oils, and pulses.

2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

2,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

C8H7NO4 (181.0375062)

2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is a benzoxazinoid precursor of 2-aminophenol sulfate. It is a metabolite found in urine of individuals that have consumed whole grains. It is a particularly strong biomarker for whole grain rye bread consumption (PMID: 23307617). Isolated from seedlings of rye and sweet corn (Zea mays). 2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils.

(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one

2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. (R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is a constituent of juvenile wheat (Triticum aestivum). Constituent of juvenile wheat (Triticum aestivum). (R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is found in wheat and cereals and cereal products.

6-Methoxy-2(3H)-benzoxazolone

6-methoxy-2,3-dihydro-1,3-benzoxazol-2-one

6-methoxy-2-benzoxazolinone is a 2-benzoxazolinone that is substituted by a methoxy group at position 6. It has a role as a plant metabolite, a muscle relaxant, an anticonvulsant, an antibacterial agent and an antifungal agent. It is a benzoxazole and an aromatic ether. It is functionally related to a 2-benzoxazolinone. Coixol is a natural product found in Scoparia dulcis, Oceanapia, and other organisms with data available. Isolated from roots of Coix lacryma jobi (Jobs tears) and from seedlings of wheat, corn and rye. 6-Methoxy-2(3H)-benzoxazolone is found in many foods, some of which are cereals and cereal products, corn, alcoholic beverages, and coffee and coffee products. 6-Methoxy-2(3H)-benzoxazolone is found in alcoholic beverages. 6-Methoxy-2(3H)-benzoxazolone is isolated from roots of Coix lacryma jobi (Jobs tears) and from seedlings of wheat, corn and rye. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1]. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1].

2-Benzoxazolol

InChI=1/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9

C7H5NO2 (135.032027)

2-benzoxazolinone is a member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. It has a role as an allelochemical and a phytoalexin. 2-Benzoxazolinone is a natural product found in Scoparia dulcis, Acanthus ilicifolius, and other organisms with data available. A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. 2-Benzoxazolol is found in cereals and cereal products. 2-Benzoxazolol is found in rye seedlings. Found in rye seedlings 2-Benzoxazolinone is an anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani[1]. A building block in chemical synthesis. 1,3-Benzoxazol-2(3H)-one derivatives have antimicrobial activity against a selection of Gram-positive, Gram-negative bacteria and yeasts[3]. Derivatives as anti-quorum sensing agent[4]. 2-Benzoxazolinone is an anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani[1]. A building block in chemical synthesis. 1,3-Benzoxazol-2(3H)-one derivatives have antimicrobial activity against a selection of Gram-positive, Gram-negative bacteria and yeasts[3]. Derivatives as anti-quorum sensing agent[4].

tricoumaroyl spermidine

N-{3-[N-(4-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidate

Tricoumaroyl spermidine belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Tricoumaroyl spermidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tricoumaroyl spermidine can be found in a number of food items such as winter squash, red rice, common pea, and eggplant, which makes tricoumaroyl spermidine a potential biomarker for the consumption of these food products.

DIBOA

2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

C8H7NO4 (181.0375062)

A lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3. Annotation level-3

Coixol

2(3H)-Benzoxazolone, 6-methoxy- (9CI)

Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1]. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1].

N1,N10-Bis(p-coumaroyl)spermidine

N(1),N(8)-bis(coumaroyl)spermidine

A secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-coumaric acid.

2-Hydroxy-1,4-benzoxazin-3-one

2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

A benzoxazine bearing hydroxy and oxo substituents at positions 2 and 3 respectively.

(11s,17s,18r)-24-hydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one

(2r)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3-one

C9H9NO5 (211.04807040000003)

24-hydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one

(11s,17s,18s)-24-hydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one

(2e)-n-{3-[(2e)-n-(4-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

24-hydroxy-17-(4-hydroxyphenyl)-19-oxo-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-6-yl acetate

C30H38N4O6 (550.2791208)

(1s,12z)-26-hydroxy-8-methoxy-6-oxa-15,20,24,27-tetraazatetracyclo[13.9.6.2²,⁵.1⁷,¹¹]tritriaconta-2,4,7(31),8,10,12,26,32-octaen-14-one

C29H38N4O4 (506.2892908)

n-{3-[(4-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)amino]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

(11r,17s,18s)-24-hydroxy-17-(4-hydroxyphenyl)-19-oxo-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-6-yl acetate

C30H38N4O6 (550.2791208)

6,24-dihydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one

C28H36N4O5 (508.2685566)

n-{3-[n-(4-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

(11s,17s,18s)-6,24-dihydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one

C28H36N4O5 (508.2685566)

(2r)-2h-1,4-benzoxazine-2,3-diol

(11r,17s,18s)-6,24-dihydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one

C28H36N4O5 (508.2685566)

(11s,17s,18s)-24-hydroxy-17-(4-hydroxyphenyl)-19-oxo-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-6-yl acetate

C30H38N4O6 (550.2791208)

(2e)-n-{3-[(4-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)amino]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

(11r,17s,18s)-24-hydroxy-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one

(1r,12e)-26-hydroxy-8-methoxy-6-oxa-15,20,24,27-tetraazatetracyclo[13.9.6.2²,⁵.1⁷,¹¹]tritriaconta-2,4,7(31),8,10,12,26,32-octaen-14-one

C29H38N4O4 (506.2892908)

(2e)-n-{3-[(2e)-n-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

26-hydroxy-8-methoxy-6-oxa-15,20,24,27-tetraazatetracyclo[13.9.6.2²,⁵.1⁷,¹¹]tritriaconta-2,4,7(31),8,10,12,26,32-octaen-14-one

C29H38N4O4 (506.2892908)

(2e)-n-{4-[(2e)-n-(3-aminopropyl)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid