Exact Mass: 550.2437
Exact Mass Matches: 550.2437
Found 500 metabolites which its exact mass value is equals to given mass value 550.2437
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Manumycin A
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
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)
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)
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)
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)
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)
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)
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).
Lappaol B
Lappaol b is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Lappaol b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol b can be found in burdock, which makes lappaol b a potential biomarker for the consumption of this food product.
Mortonol B
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].
(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
(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
4-acetate-1,2,3,5-tetrakis(2-methyl-2-butenoate)inositol
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
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
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 Gln Trp
Ala Phe Trp Gln
Ala Gln Phe Trp
Ala Gln Trp Phe
Ala Trp Phe Gln
Ala Trp Gln Phe
Cys Asp Lys Trp
Cys Asp Trp Lys
Cys Lys Asp Trp
Cys Lys Trp Asp
Cys Arg Ser Trp
Cys Arg Trp Ser
Cys Ser Arg Trp
Cys Ser Trp Arg
Cys Trp Asp Lys
Cys Trp Lys Asp
Cys Trp Arg Ser
Cys Trp Ser Arg
Asp Cys Lys Trp
Asp Cys Trp Lys
Asp Phe Asn Arg
Asp Phe Arg Asn
Asp Lys Cys Trp
Asp Lys Trp Cys
Asp Asn Phe Arg
Asp Asn Arg Phe
Asp Arg Phe Asn
Asp Arg Asn Phe
Asp Trp Cys Lys
Asp Trp Lys Cys
Glu Glu His His
Glu Phe Lys Gln
Glu Phe Gln Lys
Glu Phe Gln Gln
Glu His Glu His
Glu His His Glu
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 Gln Trp
Phe Ala Trp Gln
Phe Asp Asn Arg
Phe Asp Arg Asn
Phe Glu Lys Gln
Phe Glu Gln Lys
Phe Glu Gln Gln
Phe Phe His Thr
Phe Phe Thr His
Phe His Phe Thr
Phe His Thr Phe
Phe Lys Glu Gln
Phe Lys Gln Glu
Phe Asn Asp Arg
Phe Asn Arg Asp
Phe Gln Ala Trp
Phe Gln Glu Lys
Phe Gln Glu Gln
Phe Gln Lys Glu
Phe Gln Gln Glu
Phe Gln Trp Ala
Phe Arg Asp Asn
Phe Arg Asn Asp
Phe Thr Phe His
Phe Thr His Phe
Phe Trp Ala Gln
Phe Trp Gln Ala
His Glu Glu His
His Glu His Glu
His Phe Phe Thr
His Phe Thr Phe
His His Glu Glu
His Met Thr Tyr
His Met Tyr Thr
His Thr Phe Phe
His Thr Met Tyr
His Thr Tyr Met
His Tyr Met Thr
His Tyr Thr Met
Ile Gln Gln Tyr
Ile Gln Tyr Gln
Ile Tyr Gln Gln
Lys Cys Asp Trp
Lys Cys Trp Asp
Lys Asp Cys Trp
Lys Asp Trp Cys
Lys Glu Phe Gln
Lys Glu Gln Phe
Lys Phe Glu Gln
Lys Phe Gln Glu
Lys Met Ser Trp
Lys Met Trp Ser
Lys Gln Glu Phe
Lys Ser Met Trp
Lys Ser Trp Met
Lys Trp Cys Asp
Lys Trp Asp Cys
Lys Trp Met Ser
Lys Trp Ser Met
Leu Gln Gln Tyr
Leu Gln Tyr Gln
Leu Tyr Gln Gln
Met His Thr Tyr
Met His Tyr Thr
Met Lys Ser Trp
Met Lys Trp Ser
Met Met Asn Arg
Met Met Arg Asn
Met Asn Met Arg
Met Asn Arg Met
Met Asn Thr Trp
Met Asn Trp Thr
Met Gln Ser Trp
Met Gln Trp Ser
Met Arg Met Asn
Met Arg Asn Met
Met Ser Lys Trp
Met Ser Gln Trp
Met Ser Trp Lys
Met Ser Trp Gln
Met Thr His Tyr
Met Thr Asn Trp
Met Thr Trp Asn
Met Thr Tyr His
Met Trp Lys Ser
Met Trp Asn Thr
Met Trp Gln Ser
Met Trp Ser Lys
Met Trp Ser Gln
Met Trp Thr Asn
Met Tyr His Thr
Met Tyr Thr His
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 Met Thr Trp
Asn Met Trp Thr
Asn Arg Asp Phe
Asn Arg Phe Asp
Asn Arg Met Met
Asn Thr Met Trp
Asn Thr Trp Met
Asn Trp Met Thr
Asn Trp Thr Met
Gln Ala Phe Trp
Gln Ala Trp Phe
Gln Glu Phe Lys
Gln Glu Phe Gln
Gln Glu Lys Phe
Gln Glu Gln Phe
Gln Phe Ala Trp
Gln Phe Glu Gln
Gln Phe Lys Glu
Gln Phe Gln Glu
Gln Phe Trp Ala
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 Met Ser Trp
Gln Met Trp Ser
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 Ser Met Trp
Gln Ser Trp Met
Gln Trp Ala Phe
Gln Trp Phe Ala
Gln Trp Met Ser
Gln Trp Ser Met
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 Met Met Asn
Arg Met Asn Met
Arg Asn Asp Phe
Arg Asn Phe Asp
Arg Asn Met Met
Arg Ser Cys Trp
Arg Ser Trp Cys
Arg Trp Cys Ser
Arg Trp Ser Cys
Ser Cys Arg Trp
Ser Cys Trp Arg
Ser Lys Met Trp
Ser Lys Trp Met
Ser Met Lys Trp
Ser Met Gln Trp
Ser Met Trp Lys
Ser Met Trp Gln
Ser Gln Met Trp
Ser Gln Trp Met
Ser Arg Cys Trp
Ser Arg Trp Cys
Ser Trp Cys Arg
Ser Trp Lys Met
Ser Trp Met Lys
Ser Trp Met Gln
Ser Trp Gln Met
Ser Trp Arg Cys
Thr Phe Phe His
Thr Phe His Phe
Thr His Phe Phe
Thr His Met Tyr
Thr His Tyr Met
Thr Met His Tyr
Thr Met Asn Trp
Thr Met Trp Asn
Thr Met Tyr His
Thr Asn Met Trp
Thr Asn Trp Met
Thr Trp Met Asn
Thr Trp Asn Met
Thr Tyr His Met
Thr Tyr Met His
Trp Ala Phe Gln
Trp Ala Gln Phe
Trp Cys Asp Lys
Trp Cys Lys Asp
Trp Cys Arg Ser
Trp Cys Ser Arg
Trp Asp Cys Lys
Trp Asp Lys Cys
Trp Phe Ala Gln
Trp Phe Gln Ala
Trp Lys Cys Asp
Trp Lys Asp Cys
Trp Lys Met Ser
Trp Lys Ser Met
Trp Met Lys Ser
Trp Met Asn Thr
Trp Met Gln Ser
Trp Met Ser Lys
Trp Met Ser Gln
Trp Met Thr Asn
Trp Asn Met Thr
Trp Asn Thr Met
Trp Gln Ala Phe
Trp Gln Phe Ala
Trp Gln Met Ser
Trp Gln Ser Met
Trp Arg Cys Ser
Trp Arg Ser Cys
Trp Ser Cys Arg
Trp Ser Lys Met
Trp Ser Met Lys
Trp Ser Met Gln
Trp Ser Gln Met
Trp Ser Arg Cys
Trp Thr Met Asn
Trp Thr Asn Met
Tyr His Met Thr
Tyr His Thr Met
Tyr Ile Gln Gln
Tyr Leu Gln Gln
Tyr Met His Thr
Tyr Met Thr His
Tyr Gln Ile Gln
Tyr Gln Leu Gln
Tyr Gln Gln Ile
Tyr Gln Gln Leu
Tyr Thr His Met
Tyr Thr Met His
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
3-methoxy-6-(4-methoxyphenyl)-6-phenyl-Dibenzo[3,4:7,8]fluoreno[2,1-b]pyran-9(6H)-one
(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
Manumycin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors
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.
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(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
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-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
1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-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
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
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
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
1-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-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
1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-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-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-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
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
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)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
(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-[(4E,7E)-deca-4,7-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
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].
(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
(3r,4r)-4-{[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyloxolan-2-one
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
(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
(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
(1r,2s,5r,6r,13s,14r,16s)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadeca-9,11-dien-14-yl (2z)-2-methylbut-2-enoate
methyl (3as,4s,5s,11ar)-4-{[(2s,3r)-3-(acetyloxy)-2-hydroxy-2-methylbutanoyl]oxy}-10-methyl-5-{[(2s)-2-methylbutanoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
alpinnanin a
{"Ingredient_id": "HBIN015752","Ingredient_name": "alpinnanin a","Alias": "NA","Ingredient_formula": "C35H34O6","Ingredient_Smile": "COC1=C(C(=C(C(=C1)O)C(C=CCC(CCC2=CC=CC=C2)O)C3=CC=C(C=C3)O)O)C(=O)C=CC4=CC=CC=C4","Ingredient_weight": "550.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11613685","DrugBank_id": "NA"}
alpinnanin c
{"Ingredient_id": "HBIN015754","Ingredient_name": "alpinnanin c","Alias": "NA","Ingredient_formula": "C35H34O6","Ingredient_Smile": "COC1=C(C(=C(C(=C1)O)C(CC(CCC2=CC=CC=C2)O)C=CC3=CC=C(C=C3)O)O)C(=O)C=CC4=CC=CC=C4","Ingredient_weight": "550.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "988","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11678391","DrugBank_id": "NA"}