Exact Mass: 550.2600252000001
Exact Mass Matches: 550.2600252000001
Found 500 metabolites which its exact mass value is equals to given mass value 550.2600252000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Desglucocheirotoxin
Convallatoxin is a cardenolide glycoside that consists of strophanthidin having a 6-deoxy-alpha-L-mannopyranosyl (L-rhamnosyl) group attached at position 3. It has a role as a vasodilator agent and a metabolite. It is an alpha-L-rhamnoside, a 19-oxo steroid, a 14beta-hydroxy steroid, a 5beta-hydroxy steroid, a steroid lactone and a steroid aldehyde. It is functionally related to a strophanthidin. Convallatoxin is a natural product found in Crossosoma bigelovii, Convallaria keiskei, and other organisms with data available. Convallatoxin is a glycoside extracted from Convallaria majalis. Convallatoxin is also isolated from the trunk bark of Antiaris toxicaria (A15340). Convallatoxin is a constituent of Convallaria majalis. Convallaria majalis has been designated unsafe for inclusion in foods etc. by USA FDA Constituent of Convallaria majalis. Convallaria majalis has been designated unsafe for inclusion in foods etc. by USA FDA. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Convallatoxin is a cardiac glycoside isolated from Adonis amurensis Regel et Radde. Convallatoxin ameliorates colitic inflammation via activation of PPARγ and suppression of NF-κB. Convallatoxin is a P-glycoprotein (P-gp) substrate and recognized Val982 as an important amino acid involved in its transport. Convallatoxin is an enhancer of ligand-induced MOR endocytosis with high potency and efficacy. Anti-inflammatory and anti-proliferative properties[1][2][3]. Convallatoxin is a cardiac glycoside isolated from Adonis amurensis Regel et Radde. Convallatoxin ameliorates colitic inflammation via activation of PPARγ and suppression of NF-κB. Convallatoxin is a P-glycoprotein (P-gp) substrate and recognized Val982 as an important amino acid involved in its transport. Convallatoxin is an enhancer of ligand-induced MOR endocytosis with high potency and efficacy. Anti-inflammatory and anti-proliferative properties[1][2][3].
Adonitoxin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Manumycin A
C31H38N2O7 (550.2678877999999)
A polyketide with formula C31H38N2O7 initially isolated from Streptomyces parvulus as a result of a random screening program for farnesyl transferase (FTase) inhibitors. It is a natural product that exhibits anticancer and antibiotic properties. Manumycin A is a polyketide with formula C31H38N2O7 initially isolated from Streptomyces parvulus as a result of a random screening program for farnesyl transferase (FTase) inhibitors. It is a natural product that exhibits anticancer and antibiotic properties. It has a role as an EC 1.8.1.9 (thioredoxin reductase) inhibitor, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor, an antineoplastic agent, an apoptosis inducer, an antimicrobial agent, a bacterial metabolite, an antiatherosclerotic agent and a marine metabolite. It is a polyketide, an enamide, an epoxide, an organic heterobicyclic compound, a secondary carboxamide and a tertiary alcohol. Manumycin A is a natural product found in Streptomyces, Streptomyces griseoaurantiacus, and Streptomyces parvulus D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors
Manumycin A
C31H38N2O7 (550.2678877999999)
Fantofarone
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
PA(2:0/PGF2alpha)
C25H43O11P (550.2542857999999)
PA(2:0/PGF2alpha) 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/PGF2alpha), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin F2alpha 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(PGF2alpha/2:0)
C25H43O11P (550.2542857999999)
PA(PGF2alpha/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(PGF2alpha/2:0), in particular, consists of one chain of one Prostaglandin F2alpha 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/PGE1)
C25H43O11P (550.2542857999999)
PA(2:0/PGE1) 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/PGE1), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin E1 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(PGE1/2:0)
C25H43O11P (550.2542857999999)
PA(PGE1/2:0) 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(PGE1/2:0), in particular, consists of one chain of one Prostaglandin E1 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/PGD1)
C25H43O11P (550.2542857999999)
PA(2:0/PGD1) 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/PGD1), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin D1 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(PGD1/2:0)
C25H43O11P (550.2542857999999)
PA(PGD1/2:0) 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(PGD1/2:0), in particular, consists of one chain of one Prostaglandin D1 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).
pseudolaric acid A O-beta-d-glucopyranoside
Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1]. Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1].
19-Aldehyde,3-O-beta-D-allomethyloside-(3beta,5alpha,14beta,17betaOH)-3,14,17,19-Tetrahydroxycard-20(22)-enolide
(1R*,2R*,3S*,5Z,7S*,8S*,9S*,10S*,11R*,12S*,14S*,17R*)-2,3,14-triacetoxy-8,9,11,12-bisepoxy-17-hydroxybriar-5-en-18-one
3beta,8beta-diangeloyloxy-5alpha,9beta-diacetoxy-4alpha-hydroxy-1beta,10alpha-epoxygermacr-11-ene
17-benzoyloxy-3-O-(2,3-dimethylbutanoyl)-20-deoxyingenol
(2E)-1-{2,4-dihydroxy-3-[(1R,2E,5R)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-one|Alpinnanin B|ent-alpinnanin B
michaolide J
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
(1R,3aS,4Z,8S,8aR,9S,12aS,13S,13aR)-8,9,13-tris(acetyloxy)-5-[(acetyloxy)methyl]-3a,6,7,8,8a,9,10,11,12,12a,13,13a-dodecahydro-13a-hydroxy-1,8a-dimethyl-12-methylidenebenzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one|junceellonoid B
(3S,5R,6S,7E,9S)-megastigman-7-ene-5,6-epoxy-3,9-diol
12alpha-ethoxyl-1alpha,6alpha,7beta-triacetoxy-5alpha,14beta-dihydroxy-cass-13(15)-en-16,12-olide
4-acetate-1,2,3,5-tetrakis(2-methyl-2-butenoate)inositol
antiaroside E
3-acetate-1,2,4,5-tetrakis(2-methyl-2-butenoate)inositol
7beta,9,10beta,20-tetracetoxy-13beta,17-epoxy-3,8-secotaxa-3E,8E,11-triene-2alpha,5alpha-diol|canataxpyran A
1-O-cinnamoyl-17-defurano-17-oxosalannicacid methyl ester|17-defurano-17-oxoohchinin
Convallatoxin
Convallatoxin is a cardenolide glycoside that consists of strophanthidin having a 6-deoxy-alpha-L-mannopyranosyl (L-rhamnosyl) group attached at position 3. It has a role as a vasodilator agent and a metabolite. It is an alpha-L-rhamnoside, a 19-oxo steroid, a 14beta-hydroxy steroid, a 5beta-hydroxy steroid, a steroid lactone and a steroid aldehyde. It is functionally related to a strophanthidin. Convallatoxin is a natural product found in Crossosoma bigelovii, Convallaria keiskei, and other organisms with data available. Convallatoxin is a glycoside extracted from Convallaria majalis. Convallatoxin is also isolated from the trunk bark of Antiaris toxicaria (A15340). A cardenolide glycoside that consists of strophanthidin having a 6-deoxy-alpha-L-mannopyranosyl (L-rhamnosyl) group attached at position 3. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Convallatoxin is a cardiac glycoside isolated from Adonis amurensis Regel et Radde. Convallatoxin ameliorates colitic inflammation via activation of PPARγ and suppression of NF-κB. Convallatoxin is a P-glycoprotein (P-gp) substrate and recognized Val982 as an important amino acid involved in its transport. Convallatoxin is an enhancer of ligand-induced MOR endocytosis with high potency and efficacy. Anti-inflammatory and anti-proliferative properties[1][2][3]. Convallatoxin is a cardiac glycoside isolated from Adonis amurensis Regel et Radde. Convallatoxin ameliorates colitic inflammation via activation of PPARγ and suppression of NF-κB. Convallatoxin is a P-glycoprotein (P-gp) substrate and recognized Val982 as an important amino acid involved in its transport. Convallatoxin is an enhancer of ligand-induced MOR endocytosis with high potency and efficacy. Anti-inflammatory and anti-proliferative properties[1][2][3].
3-O-angeloyl-17-(benzoyloxy)ingenol|ingenol-3-angelate-17-benzoate
1, 1-[[2, 4-Bis(6-methoxy-1, 3-benzodioxol-5-yl)-1, 3-cyclobutanediyl]dicarbonyl]bispyrrolidine, 9CI
C30H34N2O8 (550.2315044000001)
3beta,-angeloyloxy-5alpha,9beta-diacetoxy-4alpha-hydroxy-8beta-senecioyloxy-1beta,10alpha-epoxygermacr-11-ene
corotoxigenin 3beta-D-glucoside|Cortoxigenin-3-beta-D-glucosid|glucocorotoxigenin
15-hydroxysolanascone-beta-glucopyranoside tetraacetate
(1R*,3aS*,4Z,8S*,8aS*,9S*,11R*,12aS*,13S*,13aS*)-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-13a-hydroxy-1,5,8a-trimethyl-12-methylidene-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate|frajunolide A|rel-(1S,2S,5Z,7S,8S,9S,10S,12R,14S,17R)-2,9,12,14-tetraacetoxy-8-hydroxybriara-5,11(20)-dien-18,7-olide
Gln Phe Glu Lys
Lys Gln Phe Glu
PseudolaricacidAbeta-D-glucoside
PseudolaricacidAbeta-D-glucoside is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1]. Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1].
Ala Phe Lys Trp
C29H38N6O5 (550.2903537999999)
Ala Phe Gln Trp
C28H34N6O6 (550.2539704000001)
Ala Phe Trp Lys
C29H38N6O5 (550.2903537999999)
Ala Phe Trp Gln
C28H34N6O6 (550.2539704000001)
Ala Lys Phe Trp
C29H38N6O5 (550.2903537999999)
Ala Lys Trp Phe
C29H38N6O5 (550.2903537999999)
Ala Gln Phe Trp
C28H34N6O6 (550.2539704000001)
Ala Gln Trp Phe
C28H34N6O6 (550.2539704000001)
Ala Trp Phe Lys
C29H38N6O5 (550.2903537999999)
Ala Trp Phe Gln
C28H34N6O6 (550.2539704000001)
Ala Trp Lys Phe
C29H38N6O5 (550.2903537999999)
Ala Trp Gln Phe
C28H34N6O6 (550.2539704000001)
Cys Asp Lys Trp
C24H34N6O7S (550.2209574000001)
Cys Asp Trp Lys
C24H34N6O7S (550.2209574000001)
Cys Lys Asp Trp
C24H34N6O7S (550.2209574000001)
Cys Lys Trp Asp
C24H34N6O7S (550.2209574000001)
Cys Arg Ser Trp
Cys Arg Trp Ser
Cys Ser Arg Trp
Cys Ser Trp Arg
Cys Trp Asp Lys
C24H34N6O7S (550.2209574000001)
Cys Trp Lys Asp
C24H34N6O7S (550.2209574000001)
Cys Trp Arg Ser
Cys Trp Ser Arg
Asp Cys Lys Trp
C24H34N6O7S (550.2209574000001)
Asp Cys Trp Lys
C24H34N6O7S (550.2209574000001)
Asp Phe Asn Arg
Asp Phe Arg Asn
Asp Lys Cys Trp
C24H34N6O7S (550.2209574000001)
Asp Lys Trp Cys
C24H34N6O7S (550.2209574000001)
Asp Asn Phe Arg
Asp Asn Arg Phe
Asp Arg Phe Asn
Asp Arg Asn Phe
Asp Trp Cys Lys
C24H34N6O7S (550.2209574000001)
Asp Trp Lys Cys
C24H34N6O7S (550.2209574000001)
Glu Phe Lys Gln
Glu Phe Gln Lys
Glu Phe Gln Gln
Glu Lys Phe Gln
Glu Lys Gln Phe
Glu Gln Phe Lys
Glu Gln Phe Gln
Glu Gln Lys Phe
Glu Gln Gln Phe
Phe Ala Lys Trp
C29H38N6O5 (550.2903537999999)
Phe Ala Gln Trp
C28H34N6O6 (550.2539704000001)
Phe Ala Trp Lys
C29H38N6O5 (550.2903537999999)
Phe Ala Trp Gln
C28H34N6O6 (550.2539704000001)
Phe Asp Asn Arg
Phe Asp Arg Asn
Phe Glu Lys Gln
Phe Glu Gln Lys
Phe Glu Gln Gln
Phe Phe His Thr
C28H34N6O6 (550.2539704000001)
Phe Phe Thr His
C28H34N6O6 (550.2539704000001)
Phe His Phe Thr
C28H34N6O6 (550.2539704000001)
Phe His Thr Phe
C28H34N6O6 (550.2539704000001)
Phe Lys Ala Trp
C29H38N6O5 (550.2903537999999)
Phe Lys Glu Gln
Phe Lys Gln Glu
Phe Lys Trp Ala
C29H38N6O5 (550.2903537999999)
Phe Asn Asp Arg
Phe Asn Arg Asp
Phe Gln Ala Trp
C28H34N6O6 (550.2539704000001)
Phe Gln Glu Lys
Phe Gln Glu Gln
Phe Gln Lys Glu
Phe Gln Gln Glu
Phe Gln Arg Thr
Phe Gln Thr Arg
Phe Gln Trp Ala
C28H34N6O6 (550.2539704000001)
Phe Arg Asp Asn
Phe Arg Asn Asp
Phe Arg Gln Thr
Phe Arg Thr Gln
Phe Thr Phe His
C28H34N6O6 (550.2539704000001)
Phe Thr His Phe
C28H34N6O6 (550.2539704000001)
Phe Thr Gln Arg
Phe Thr Arg Gln
Phe Trp Ala Lys
C29H38N6O5 (550.2903537999999)
Phe Trp Ala Gln
C28H34N6O6 (550.2539704000001)
Phe Trp Lys Ala
C29H38N6O5 (550.2903537999999)
Phe Trp Gln Ala
C28H34N6O6 (550.2539704000001)
Gly Arg Arg Tyr
C23H38N10O6 (550.2975647999999)
Gly Arg Tyr Arg
C23H38N10O6 (550.2975647999999)
Gly Tyr Arg Arg
C23H38N10O6 (550.2975647999999)
His Phe Phe Thr
C28H34N6O6 (550.2539704000001)
His Phe Thr Phe
C28H34N6O6 (550.2539704000001)
His Met Thr Tyr
C24H34N6O7S (550.2209574000001)
His Met Tyr Thr
C24H34N6O7S (550.2209574000001)
His Thr Phe Phe
C28H34N6O6 (550.2539704000001)
His Thr Met Tyr
C24H34N6O7S (550.2209574000001)
His Thr Tyr Met
C24H34N6O7S (550.2209574000001)
His Tyr Met Thr
C24H34N6O7S (550.2209574000001)
His Tyr Thr Met
C24H34N6O7S (550.2209574000001)
Ile Gln Gln Tyr
Ile Gln Tyr Gln
Ile Tyr Gln Gln
Lys Ala Phe Trp
C29H38N6O5 (550.2903537999999)
Lys Ala Trp Phe
C29H38N6O5 (550.2903537999999)
Lys Cys Asp Trp
C24H34N6O7S (550.2209574000001)
Lys Cys Trp Asp
C24H34N6O7S (550.2209574000001)
Lys Asp Cys Trp
C24H34N6O7S (550.2209574000001)
Lys Asp Trp Cys
C24H34N6O7S (550.2209574000001)
Lys Glu Phe Gln
Lys Glu Gln Phe
Lys Phe Ala Trp
C29H38N6O5 (550.2903537999999)
Lys Phe Glu Gln
Lys Phe Gln Glu
Lys Phe Trp Ala
C29H38N6O5 (550.2903537999999)
Lys Met Ser Trp
C25H38N6O6S (550.2573408000001)
Lys Met Trp Ser
C25H38N6O6S (550.2573408000001)
Lys Gln Glu Phe
Lys Ser Met Trp
C25H38N6O6S (550.2573408000001)
Lys Ser Trp Met
C25H38N6O6S (550.2573408000001)
Lys Trp Ala Phe
C29H38N6O5 (550.2903537999999)
Lys Trp Cys Asp
C24H34N6O7S (550.2209574000001)
Lys Trp Asp Cys
C24H34N6O7S (550.2209574000001)
Lys Trp Phe Ala
C29H38N6O5 (550.2903537999999)
Lys Trp Met Ser
C25H38N6O6S (550.2573408000001)
Lys Trp Ser Met
C25H38N6O6S (550.2573408000001)
Leu Gln Gln Tyr
Leu Gln Tyr Gln
Leu Tyr Gln Gln
Met His Thr Tyr
C24H34N6O7S (550.2209574000001)
Met His Tyr Thr
C24H34N6O7S (550.2209574000001)
Met Lys Ser Trp
C25H38N6O6S (550.2573408000001)
Met Lys Trp Ser
C25H38N6O6S (550.2573408000001)
Met Met Asn Arg
Met Met Arg Asn
Met Asn Met Arg
Met Asn Arg Met
Met Asn Thr Trp
C24H34N6O7S (550.2209574000001)
Met Asn Trp Thr
C24H34N6O7S (550.2209574000001)
Met Gln Ser Trp
C24H34N6O7S (550.2209574000001)
Met Gln Trp Ser
C24H34N6O7S (550.2209574000001)
Met Arg Met Asn
Met Arg Asn Met
Met Ser Lys Trp
C25H38N6O6S (550.2573408000001)
Met Ser Gln Trp
C24H34N6O7S (550.2209574000001)
Met Ser Trp Lys
C25H38N6O6S (550.2573408000001)
Met Ser Trp Gln
C24H34N6O7S (550.2209574000001)
Met Thr His Tyr
C24H34N6O7S (550.2209574000001)
Met Thr Asn Trp
C24H34N6O7S (550.2209574000001)
Met Trp Lys Ser
C25H38N6O6S (550.2573408000001)
Met Trp Ser Lys
C25H38N6O6S (550.2573408000001)
Asn Asp Phe Arg
Asn Asp Arg Phe
Asn Phe Asp Arg
Asn Phe Arg Asp
Asn Met Met Arg
Asn Met Arg Met
Asn Arg Asp Phe
Asn Arg Phe Asp
Asn Arg Met Met
Asn Arg Val Tyr
Asn Arg Tyr Val
Asn Val Arg Tyr
Asn Val Tyr Arg
Asn Tyr Arg Val
Asn Tyr Val Arg
Gln Ala Phe Trp
C28H34N6O6 (550.2539704000001)
Gln Ala Trp Phe
C28H34N6O6 (550.2539704000001)
Gln Glu Phe Lys
Gln Glu Phe Gln
Gln Glu Lys Phe
Gln Glu Gln Phe
Gln Phe Ala Trp
C28H34N6O6 (550.2539704000001)
Gln Phe Glu Gln
Gln Phe Lys Glu
Gln Phe Gln Glu
Gln Phe Arg Thr
Gln Phe Thr Arg
Gln Phe Trp Ala
C28H34N6O6 (550.2539704000001)
Gln Ile Gln Tyr
Gln Ile Tyr Gln
Gln Lys Glu Phe
Gln Lys Phe Glu
Gln Leu Gln Tyr
Gln Leu Tyr Gln
Gln Gln Glu Phe
Gln Gln Phe Glu
Gln Gln Ile Tyr
Gln Gln Leu Tyr
Gln Gln Tyr Ile
Gln Gln Tyr Leu
Gln Arg Phe Thr
Gln Arg Thr Phe
Gln Thr Phe Arg
Gln Thr Arg Phe
Gln Trp Ala Phe
C28H34N6O6 (550.2539704000001)
Gln Trp Phe Ala
C28H34N6O6 (550.2539704000001)
Gln Tyr Ile Gln
Gln Tyr Leu Gln
Gln Tyr Gln Ile
Gln Tyr Gln Leu
Arg Cys Ser Trp
Arg Cys Trp Ser
Arg Asp Phe Asn
Arg Asp Asn Phe
Arg Phe Asp Asn
Arg Phe Asn Asp
Arg Phe Gln Thr
Arg Phe Thr Gln
Arg Gly Arg Tyr
C23H38N10O6 (550.2975647999999)
Arg Gly Tyr Arg
C23H38N10O6 (550.2975647999999)
Arg Met Met Asn
Arg Met Asn Met
Arg Asn Asp Phe
Arg Asn Phe Asp
Arg Asn Met Met
Arg Asn Val Tyr
Arg Asn Tyr Val
Arg Gln Phe Thr
Arg Gln Thr Phe
Arg Arg Gly Tyr
C23H38N10O6 (550.2975647999999)
Arg Arg Tyr Gly
C23H38N10O6 (550.2975647999999)
Arg Ser Cys Trp
Arg Ser Trp Cys
Arg Thr Phe Gln
Arg Thr Gln Phe
Arg Val Asn Tyr
Arg Val Tyr Asn
Arg Trp Cys Ser
Arg Trp Ser Cys
Arg Tyr Gly Arg
C23H38N10O6 (550.2975647999999)
Arg Tyr Asn Val
Arg Tyr Arg Gly
C23H38N10O6 (550.2975647999999)
Arg Tyr Val Asn
Ser Cys Arg Trp
Ser Cys Trp Arg
Ser Lys Met Trp
C25H38N6O6S (550.2573408000001)
Ser Lys Trp Met
C25H38N6O6S (550.2573408000001)
Ser Met Lys Trp
C25H38N6O6S (550.2573408000001)
Ser Met Trp Lys
C25H38N6O6S (550.2573408000001)
Ser Arg Cys Trp
Ser Arg Trp Cys
Ser Trp Cys Arg
Ser Trp Lys Met
C25H38N6O6S (550.2573408000001)
Ser Trp Met Lys
C25H38N6O6S (550.2573408000001)
Ser Trp Arg Cys
Thr Phe Phe His
C28H34N6O6 (550.2539704000001)
Thr Phe His Phe
C28H34N6O6 (550.2539704000001)
Thr Phe Gln Arg
Thr Phe Arg Gln
Thr His Phe Phe
C28H34N6O6 (550.2539704000001)
Thr Gln Phe Arg
Thr Gln Arg Phe
Thr Arg Phe Gln
Thr Arg Gln Phe
Val Asn Arg Tyr
Val Asn Tyr Arg
Val Arg Asn Tyr
Val Arg Tyr Asn
Val Tyr Asn Arg
Val Tyr Arg Asn
Trp Ala Phe Lys
C29H38N6O5 (550.2903537999999)
Trp Ala Phe Gln
C28H34N6O6 (550.2539704000001)
Trp Ala Lys Phe
C29H38N6O5 (550.2903537999999)
Trp Ala Gln Phe
C28H34N6O6 (550.2539704000001)
Trp Cys Arg Ser
Trp Cys Ser Arg
Trp Phe Ala Lys
C29H38N6O5 (550.2903537999999)
Trp Phe Ala Gln
C28H34N6O6 (550.2539704000001)
Trp Phe Lys Ala
C29H38N6O5 (550.2903537999999)
Trp Phe Gln Ala
C28H34N6O6 (550.2539704000001)
Trp Lys Ala Phe
C29H38N6O5 (550.2903537999999)
Trp Lys Phe Ala
C29H38N6O5 (550.2903537999999)
Trp Lys Met Ser
C25H38N6O6S (550.2573408000001)
Trp Lys Ser Met
C25H38N6O6S (550.2573408000001)
Trp Met Lys Ser
C25H38N6O6S (550.2573408000001)
Trp Met Ser Lys
C25H38N6O6S (550.2573408000001)
Trp Gln Ala Phe
C28H34N6O6 (550.2539704000001)
Trp Gln Phe Ala
C28H34N6O6 (550.2539704000001)
Trp Arg Cys Ser
Trp Arg Ser Cys
Trp Ser Cys Arg
Trp Ser Lys Met
C25H38N6O6S (550.2573408000001)
Trp Ser Met Lys
C25H38N6O6S (550.2573408000001)
Trp Ser Arg Cys
Tyr Gly Arg Arg
C23H38N10O6 (550.2975647999999)
Tyr Ile Gln Gln
Tyr Leu Gln Gln
Tyr Asn Arg Val
Tyr Asn Val Arg
Tyr Gln Ile Gln
Tyr Gln Leu Gln
Tyr Gln Gln Ile
Tyr Gln Gln Leu
Tyr Arg Gly Arg
C23H38N10O6 (550.2975647999999)
Tyr Arg Asn Val
Tyr Arg Arg Gly
C23H38N10O6 (550.2975647999999)
Tyr Arg Val Asn
Tyr Val Asn Arg
Tyr Val Arg Asn
PHOHA-PA
C26H47O10P (550.2906691999999)
Antiaroside C
9,9-Bis[4-(2-oxiranemethyloxyethyloxy)phenyl]fluorene
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid
R-3,3-Bis(4-(1,1-dimethylethyl)phenyl)-1,1-bi-2-naphthol
(S)-4-(2-amino-3-((2-aminoethyl)amino)propyl)phenol hydrochloride
(11aR)-3,7-Bis(2,4,6-trimethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1,7-fg][1,3,2]dioxaphosphocin
acetic acid 5-[3-(4-acetoxypyrrolidin-2-ylmethyl)-6,6’-difluoro-1H,1H-[2,2]biindolyl-3-ylmethyl]pyrrolidin-3-yl ester
C30H32F2N4O4 (550.2391495999999)
Manumycin A
C31H38N2O7 (550.2678877999999)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors
Ajugapitin
A diterpenoid isolated from the aerial parts of Ajuga bracteosa and has been shown to exhibit antifeedant activity against Spodoptera littoralis.
methyl (1beta,11beta,12alpha,15beta)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicrasan-21-oate
Glu-Phe-Gln-Gln
A tetrapeptide composed of L-glutamic acid, L-phenylalanine and two L-glutamine units joined by peptide linkages.
(R)-2,4,6-Trimethyl-deca-2,4-dienoic acid {(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-6-(2-hydroxy-5-oxo-cyclopent-1-enylcarbamoyl)-hexa-1,3,5-trienyl]-2-oxo-7-oxa-bicyclo[4.1.0]hept-3-en-3-yl}-amide
C31H38N2O7 (550.2678877999999)
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C28H31FN6O5 (550.2339847999999)
N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C28H31FN6O5 (550.2339847999999)
1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C28H31FN6O5 (550.2339847999999)
2-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[(5-phenyl-3-isoxazolyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
(2E,4E,6R)-N-[(5S,6R)-5-[(1E,3E,5E)-7-[(2,5-dioxocyclopentyl)amino]-7-oxohepta-1,3,5-trienyl]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
C31H38N2O7 (550.2678877999999)
2-[(2S,3R,4S,5R)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
C29H38N6O5 (550.2903537999999)
(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-[(4E,7E)-deca-4,7-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
Desglucocheirotoxin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins
1-(9Z-octadecenoyl)-2-glutaryl-sn-glycero-3-phosphate
C26H47O10P (550.2906691999999)
bruceanol E
A quassinoid that is the dihydro derivative of bruceanol D. Isolated from Brucea antidysenterica, it exhibits in vitro cytotoxicity towards several human tumour cell lines.
SOS1-IN-14
SOS1-IN-14 is a potent, selective and orally active SOS1 inhibitor with an IC50 value of 3.9 nM. SOS1-IN-14 can be absorbed in the intestine via a P-glycoprotein-mediated efflux mechanism. SOS1-IN-14 can be used to research KRAS-mutated cancers. SOS1-IN-14 has better potent tumor suppression than BI-3406 (HY-125817)[1].
(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2s)-2-hydroxy-2-(5-oxo-2h-furan-3-yl)ethyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2r)-2-methylbutanoate
(9ar,11as)-1-{2-hydroxy-1-[5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthrene-7-sulfonic acid
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate
5'-(acetyloxy)-6'a-[(acetyloxy)methyl]-4'a,10'b-dimethyl-5''-oxo-octahydrodispiro[oxirane-2,7'-naphtho[2,1-b]pyran-3',3''-oxolan]-6'-yl 2-methylbutanoate
methyl (2s,3r,5r)-2-{[(1r,3as,3br,5as,7r,8r,9ar,9bs,11ar)-3a,8,9a-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-5-methyloxolane-3-carboxylate
(1r,3as,3br,5as,7s,9as,9bs,11ar)-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
[(1s,2s,3s,4r,7s,8e,12s,13s,14r)-2,12,14-tris(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
5a,10-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
(9r,13s,16s,17r,18s)-16-[(1r)-1-hydroxy-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6,15-dioxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4,10-tetraen-18-yl acetate
n-[(1ar,2s,6as,6bs)-5-{1-[(1ar,2s,6as,6bs)-4-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-2,6a-dimethyl-6-oxo-1ah,2h,6bh-oxireno[2,3-a]pyrrolizin-5-yl]ethyl}-2,6a-dimethyl-6-oxo-1ah,2h,6bh-oxireno[2,3-a]pyrrolizin-4-yl]-3-methylbut-2-enimidic acid
4-(3-{3a,5a,7,8,11-pentahydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-3-hydroxy-2-oxobutyl)-3,5-dimethyloxolan-2-one
(2e,4e,6r)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienimidic acid
C31H38N2O7 (550.2678877999999)