Exact Mass: 548.2291210000001
Exact Mass Matches: 548.2291210000001
Found 309 metabolites which its exact mass value is equals to given mass value 548.2291210000001
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bruceantin
Bruceantin is a triterpenoid. Bruceantin is a natural product found in Brucea javanica and Brucea antidysenterica with data available. Bruceantin is a triterpene quassinoid antineoplastic antibiotic isolated from the plant Brucea antidysenterica. Bruceantin inhibits the peptidyl transferase elongation reaction, resulting in decreased protein and DNA synthesis. Bruceantin also has antiamoebic and antimalarial activity. (NCI04) C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1974 - Quassinoid Agent C784 - Protein Synthesis Inhibitor C1907 - Drug, Natural Product Bruceantin (NSC165563) can be extracted from B. javanica and has inhibitory effects on B16 melanoma, colon cancer 38, L1210 and leukemia P388. Bruceantin (NSC165563) can be extracted from B. javanica and has inhibitory effects on B16 melanoma, colon cancer 38, L1210 and leukemia P388.
PA(2:0/PGE2)
PA(2:0/PGE2) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/PGE2), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin E2 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(PGE2/2:0)
PA(PGE2/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(PGE2/2:0), in particular, consists of one chain of one Prostaglandin E2 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/PGD2)
PA(2:0/PGD2) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/PGD2), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin D2 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(PGD2/2:0)
PA(PGD2/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(PGD2/2:0), in particular, consists of one chain of one Prostaglandin D2 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))
PA(2:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Lipoxin A4 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/2:0)
PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/2:0), in particular, consists of one chain of one Lipoxin A4 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate
1alpha,2alpha,6beta-Triacetoxy-9alpha-benzoyloxy-8alpha,15-dihydroxydihydro-beta-agarofuran
(1alpha,11beta)-23-ethoxy-1,2,21,23-tetrahydro-1,11-dihydroxy-21-oxoobacunone|23-ethoxy-21,23-dihydro-21-oxoclausenarin
1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-1,6,15-triacetoxy-4,8-dihydroxy-dihydro-beta-agarofuran
1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-6,8,15-triacetoxy-1,4-dihydroxy-dihydro-beta-agarofuran
(1R*,2R*,3R*,5Z,7S*,8(17)E,9S*,10S*,11R*,12S*,14S*)-2,3,9,14-tetraacetoxy-11,12-epoxybriara-5,8(17)-dien-18-one|excavatolide S
(1R*)-1-(furan-3-yl)-2-[(6aR,7R,8S,9R,10aS)-9-(beta-D-ribo-hexopyranosyl-3-uloseoxy)-3,5,6,6a,7,8,9,10-octahydro-7,8-dimethyl-3-oxonaphtho[1,8a-c]furan-7-yl]ethyl acetate|15,16-epoxy-12alpha-O-acetylcleroda-3,13(16),14-triene-18,19-olide-7alpha-O-beta-D-ribohexo-3-ulopyranoside|splendidin C
Ala Ser Trp Trp
Ala Trp Ser Trp
Ala Trp Trp Ser
Asp Met Gln Arg
Asp Met Arg Gln
Asp Gln Met Arg
Asp Gln Arg Met
Asp Gln Thr Trp
Asp Gln Trp Thr
Asp Arg Met Gln
Asp Arg Gln Met
Asp Thr Gln Trp
Asp Thr Trp Gln
Asp Trp Gln Thr
Asp Trp Thr Gln
Glu His Thr Tyr
Glu His Tyr Thr
Glu Met Asn Arg
Glu Met Arg Asn
Glu Asn Met Arg
Glu Asn Arg Met
Glu Asn Thr Trp
Glu Asn Trp Thr
Glu Gln Ser Trp
Glu Gln Trp Ser
Glu Arg Met Asn
Glu Arg Asn Met
Glu Ser Gln Trp
Glu Ser Trp Gln
Glu Thr His Tyr
Glu Thr Asn Trp
Glu Thr Trp Asn
Glu Thr Tyr His
Glu Trp Asn Thr
Glu Trp Gln Ser
Glu Trp Ser Gln
Glu Trp Thr Asn
Glu Tyr His Thr
Glu Tyr Thr His
Phe Gly Tyr Tyr
Phe Tyr Gly Tyr
Phe Tyr Tyr Gly
Gly Phe Tyr Tyr
Gly Thr Trp Trp
Gly Trp Thr Trp
Gly Trp Trp Thr
Gly Tyr Phe Tyr
Gly Tyr Tyr Phe
His Glu Thr Tyr
His Glu Tyr Thr
His Thr Glu Tyr
His Thr Tyr Glu
His Tyr Glu Thr
His Tyr Thr Glu
Met Asp Gln Arg
Met Asp Arg Gln
Met Glu Asn Arg
Met Glu Arg Asn
Met Asn Glu Arg
Met Asn Arg Glu
Met Gln Asp Arg
Met Gln Arg Asp
Met Arg Asp Gln
Met Arg Glu Asn
Met Arg Asn Glu
Met Arg Gln Asp
Asn Glu Met Arg
Asn Glu Arg Met
Asn Glu Thr Trp
Asn Glu Trp Thr
Asn Met Glu Arg
Asn Met Arg Glu
Asn Arg Glu Met
Asn Arg Met Glu
Asn Thr Glu Trp
Asn Thr Trp Glu
Asn Trp Glu Thr
Asn Trp Thr Glu
Gln Asp Met Arg
Gln Asp Arg Met
Gln Asp Thr Trp
Gln Asp Trp Thr
Gln Glu Ser Trp
Gln Glu Trp Ser
Gln Met Asp Arg
Gln Met Arg Asp
Gln Arg Asp Met
Gln Arg Met Asp
Gln Ser Glu Trp
Gln Ser Trp Glu
Gln Thr Asp Trp
Gln Thr Trp Asp
Gln Trp Asp Thr
Gln Trp Glu Ser
Gln Trp Ser Glu
Gln Trp Thr Asp
Arg Asp Met Gln
Arg Asp Gln Met
Arg Glu Met Asn
Arg Glu Asn Met
Arg Met Asp Gln
Arg Met Glu Asn
Arg Met Asn Glu
Arg Met Gln Asp
Arg Asn Glu Met
Arg Asn Met Glu
Arg Gln Asp Met
Arg Gln Met Asp
Ser Ala Trp Trp
Ser Glu Gln Trp
Ser Glu Trp Gln
Ser Gln Glu Trp
Ser Gln Trp Glu
Ser Trp Ala Trp
Ser Trp Glu Gln
Ser Trp Gln Glu
Ser Trp Trp Ala
Thr Asp Gln Trp
Thr Asp Trp Gln
Thr Glu His Tyr
Thr Glu Asn Trp
Thr Glu Trp Asn
Thr Glu Tyr His
Thr Gly Trp Trp
Thr His Glu Tyr
Thr His Tyr Glu
Thr Asn Glu Trp
Thr Asn Trp Glu
Thr Gln Asp Trp
Thr Gln Trp Asp
Thr Trp Asp Gln
Thr Trp Glu Asn
Thr Trp Gly Trp
Thr Trp Asn Glu
Thr Trp Gln Asp
Thr Trp Trp Gly
Thr Tyr Glu His
Thr Tyr His Glu
Trp Ala Ser Trp
Trp Ala Trp Ser
Trp Asp Gln Thr
Trp Asp Thr Gln
Trp Glu Asn Thr
Trp Glu Gln Ser
Trp Glu Ser Gln
Trp Glu Thr Asn
Trp Gly Thr Trp
Trp Gly Trp Thr
Trp Asn Glu Thr
Trp Asn Thr Glu
Trp Gln Asp Thr
Trp Gln Glu Ser
Trp Gln Ser Glu
Trp Gln Thr Asp
Trp Ser Ala Trp
Trp Ser Glu Gln
Trp Ser Gln Glu
Trp Ser Trp Ala
Trp Thr Asp Gln
Trp Thr Glu Asn
Trp Thr Gly Trp
Trp Thr Asn Glu
Trp Thr Gln Asp
Trp Thr Trp Gly
Trp Trp Ala Ser
Trp Trp Gly Thr
Trp Trp Ser Ala
Trp Trp Thr Gly
Tyr Glu His Thr
Tyr Glu Thr His
Tyr Phe Gly Tyr
Tyr Phe Tyr Gly
Tyr Gly Phe Tyr
Tyr Gly Tyr Phe
Tyr His Glu Thr
Tyr His Thr Glu
Tyr Thr Glu His
Tyr Thr His Glu
Tyr Tyr Phe Gly
Tyr Tyr Gly Phe
butane-1,4-diol,ethane-1,2-diol,hexanedioic acid,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Bruceanol F
A quassinoid isolated from Brucea antidysenterica and has been shown to exhibit in vitro cytotoxicity towards several human tumour cell lines.
Picras-3-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-,methyl ester, (1beta,11beta,12alpha,15beta(E))-
1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
(2R)-2-[(4S,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
bruceanol D
A quassinoid natural product found in Brucea antidysenterica consisting of a heteropentacyclic skeleton containing a delta-lactone moiety which is substituted at the alpha-carbon by a (2E)-3,4-dimethylpent-2-enoyloxy group. It shows significant in vitro cytotoxicity towards several human tumour cell lines.
[2,12,14-tris(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl acetate
(8r,21s)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol
4-hydroxy-2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl acetate
(1r,2r,4s,6r,7s,9s,10s,11s,13r)-2,6,7-tris(acetyloxy)-13-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,8-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
16,27-dimethoxy-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25(33),26,28(32)-dodecaen-13-ol
(1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate
(8s,21s)-16,27-dimethoxy-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25(33),26,28(32)-dodecaen-13-ol
(8s,21r)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol
[(1s,2s,3s,4r,7s,8e,10e,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10,16-trien-9-yl]methyl acetate
(1s,2s,5s,6s,7s,8r,9r,12r)-8,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,5-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(2r,2's,2''s,4'as,5'r,5''s,6'r,8's,8'ar)-2',2'',8'-tris(acetyloxy)-5''-(furan-3-yl)-6'-methyl-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(1ar,3r,3ar,4r,5r,6r,7as)-4,5-bis(acetyloxy)-6-[(3r,4r)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxirene-3-carboxylic acid
2-{[1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (2r,3r,6r,8s,12s,13s,14s,15r,16r,17r)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,19-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
(2s,3r,4s,5s,7s,9s,10e,13s)-2,4,5-tris(acetyloxy)-13-hydroxy-5,9,12,12-tetramethyl-8,14-dioxotricyclo[11.2.1.0³,⁷]hexadeca-1(15),10-dien-7-yl acetate
[(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl acetate
(1s,2s,5s,6s,7s,8r,9r,12r)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,8-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
2-{[3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 3-[(3,4-dimethylpent-2-enoyl)oxy]-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
(2r,3r,4s,5s,6r)-2-{[(1s,2r)-1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-(9-{[3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl)-1-(furan-3-yl)ethyl acetate
2-{[3-(acetyloxy)-2-methyl-2-[(2-methylbut-2-enoyl)oxy]butanoyl]oxy}-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)propyl 2-methylbut-2-enoate
2,4,5-tris(acetyloxy)-13-hydroxy-5,9,12,12-tetramethyl-8,14-dioxotricyclo[11.2.1.0³,⁷]hexadeca-1(15),10-dien-7-yl acetate
(1r,2r,7r,8z,11s,12s,13s,14r,16r,18s)-2,11,12-tris(acetyloxy)-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.0³,⁷.0¹⁶,¹⁸]octadeca-3,8-dien-14-yl acetate
n-[7,10-dimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-3-(sec-butyl)-1,4,8-trioxacyclododecan-6-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
4-hydroxy-2,5-bis[2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl acetate
(8s,21s)-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),10,12,14(37),16,18,25(33),26,28(32),35-dodecaene-13,27-diol
(1r,2s,3r,4s,5s,6r,7r,8r,9r,12r,13s)-5,9-bis(acetyloxy)-3-(chloromethyl)-3,12,13-trihydroxy-6-isopropyl-9,13-dimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-4-yl acetate
C26H41ClO10 (548.2388116000001)
5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,8-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(8r,21r)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol
(1r,2r,4s,7r,8s,10s,11s,12r,13s,18s)-7-[(5r)-5-ethoxy-2-oxo-5h-furan-3-yl]-10,13-dihydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosane-5,15,20-trione
(1s,2s,3s,7s,8r,9r,10s,12z,14s,17r)-7,9,10-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-2-yl acetate
(2s,3r,4s,5s,6r)-2-{[(2r,3s,4s)-3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2',2'',8'-tris(acetyloxy)-5''-(furan-3-yl)-6'-methyl-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(2s,3r,4s,5s,7s,9s,10e,13r)-2,4,5-tris(acetyloxy)-13-hydroxy-5,9,12,12-tetramethyl-8,14-dioxotricyclo[11.2.1.0³,⁷]hexadeca-1(15),10-dien-7-yl acetate
methyl (1r,2s,3r,6r,8s,9s,13s,14s,15r,16s,17r)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,12-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-10-ene-17-carboxylate
(8s,21s)-13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25,27,30(34),32,35-dodecaene
7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),10,12,14(37),16,18,25(33),26,28(32),35-dodecaene-13,27-diol
7-(5-ethoxy-2-oxo-5h-furan-3-yl)-10,13-dihydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosane-5,15,20-trione
(2r,3s)-3-(acetyloxy)-1-{[(1s,2r)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-{[(2z)-2-methylbut-2-enoyl]oxy}propan-2-yl]oxy}-2-methyl-1-oxobutan-2-yl (2z)-2-methylbut-2-enoate
6-{[(1s,2s,3r,4ar,4bs,7s,10ar)-7-(2-chloro-1-hydroxyethyl)-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
C26H41ClO10 (548.2388116000001)
(8s,21s)-27-methoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol
6-{[7-(2-chloro-1-hydroxyethyl)-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
C26H41ClO10 (548.2388116000001)