Exact Mass: 458.2205
Exact Mass Matches: 458.2205
Found 500 metabolites which its exact mass value is equals to given mass value 458.2205
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
fumagillin
A meroterpenoid resulting from the formal condensation of the hydroxy group of fumagillol with the carboxylic acid group of (all-E)-deca-2,4,6,8-tetraenedioic acid. Originally isolated from the fungus Aspergillus fumigatus, it is used for the control of Nosema infection in honey bees. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D006133 - Growth Substances > D006131 - Growth Inhibitors Fumagillin(NSC9168) is an antimicrobial compound first isolated in 1949 from the fungus Aspergillus fumigatu. Fumagillin can inhibits HIV‐1 infection through the inhibition of HIV-1 viral protein R (Vpr) activity.
Cinobufotalin
Cinobufotalin is a natural product found in Bufo and Bufo bufo with data available. Cinobufotalin is a bufadienolide isolated from toad venom and utilized in traditional Chinese medicine (TCM) for its cardiotonic, diuretic and hemostatic effects, with potential cytotoxic and antineoplastic activities. Upon administration and although the exact mechanism of action(s) (MoAs) through which this agent exerts its effects have yet to be fully discovered, cinobufotalin causes DNA fragmentation, decreases mitochondrial membrane potential (MMP), increases intracellular calcium (Ca2+) ion concentrations and reactive oxygen species (ROS) production, upregulates Fas protein and activates cytochrome C, various caspases, Bid and Bax. This causes cell cycle arrest, induces apoptosis and inhibits tumor cell growth and survival. In addition, cinobufotalin inhibits the activity of sphingosine kinase 1 (SphK1) and induces pro-apoptotic ceramide production, which further promotes tumor cell apoptosis. Cinobufotalin also induces mitochondrial protein cyclophilin D (Cyp-D)-dependent opening of the mitochondrial permeability transition pore (mPTP), which may contribute to cinobufotalin-induced non-apoptotic death of certain tumor cells. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides Cinobufotalin is a cardiotonic steroids or bufadienolides, is extracted from the skin secretions of the giant toads. Cinobufotalin has been used as a cardiotonic, diuretic and a hemostatic agent, Cinobufotalin is also a potential anti-lung cancer agent[1].
3-Sulfodeoxycholic acid
Deoxycholic Acid/analogs and derivatives.
1-Lyso-2-arachidonoyl-phosphatidate
LPA(0:0/20:4n6) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes. In particular, lysophosphatidic acid is an intercellular lipid mediator with growth factor-like activities, and is rapidly produced and released from activated platelets to influence target cells.LPA is a pluripotent lipid mediator controlling growth, motility, and differentiation, that has a strong influence on the chemotaxis and ultrastructure of human neutrophils (PMID 7416233). In serum and plasma, LPA is mainly converted from lysophospholipids, whereas in platelets and some cancer cells it is converted from phosphatidic acid. In each pathway, at least two phospholipase activities are required: phospholipase A1 (PLA1)/PLA2 plus lysophospholipase D (lysoPLD) activities are involved in the first pathway and phospholipase D (PLD) plus PLA1/PLA2 activities are involved in the second pathway. (PMID 15271293) [HMDB] LPA(0:0/20:4n6) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes. In particular, lysophosphatidic acid is an intercellular lipid mediator with growth factor-like activities, and is rapidly produced and released from activated platelets to influence target cells.LPA is a pluripotent lipid mediator controlling growth, motility, and differentiation, that has a strong influence on the chemotaxis and ultrastructure of human neutrophils (PMID 7416233). In serum and plasma, LPA is mainly converted from lysophospholipids, whereas in platelets and some cancer cells it is converted from phosphatidic acid. In each pathway, at least two phospholipase activities are required: phospholipase A1 (PLA1)/PLA2 plus lysophospholipase D (lysoPLD) activities are involved in the first pathway and phospholipase D (PLD) plus PLA1/PLA2 activities are involved in the second pathway. (PMID 15271293).
Hydroxystrobilurin D
Hydroxystrobilurin D is found in mushrooms. Hydroxystrobilurin D is isolated from Mycena sanguinolenta (blood mycena Isolated from Mycena sanguinolenta (blood mycena). Hydroxystrobilurin D is found in mushrooms.
2-Hydroxy-desipramine glucuronide
2-Hydroxy-desipramine glucuronide is a metabolite of desipramine. Desipramine (also known as desmethylimipramine) is a tricyclic antidepressant (TCA). It inhibits the reuptake of norepinephrine and to a lesser extent serotonin. It is used to treat depression, but not considered a first line treatment since the introduction of SSRI antidepressants. Desipramine is an active metabolite of imipramine. It is sold under the brand names Norpramin and Pertofane. Along with other tricyclics, desipramine has found use in treating neuropathic pain. (Wikipedia)
LysoPA(20:4(5Z,8Z,11Z,14Z)/0:0)
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate is also known as LPA(20:4(5Z,8Z,11Z,14Z)/0:0) or 1-Arachidonoyl lpa. 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate is a glycerophosphate lipid molecule
LysoPA(20:4(8Z,11Z,14Z,17Z)/0:0)
LysoPA(20:4(8Z,11Z,14Z,17Z)/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(20:4(8Z,11Z,14Z,17Z)/0:0), in particular, consists of one chain of eicosatetraenoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
fumagillin
2-Hydroxy-3-[(2-carboxyethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
Advantame
Avitriptan
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Cinobufotalin
Cinobufotalin is a cardiotonic steroids or bufadienolides, is extracted from the skin secretions of the giant toads. Cinobufotalin has been used as a cardiotonic, diuretic and a hemostatic agent, Cinobufotalin is also a potential anti-lung cancer agent[1].
Lexipafant
(E)-8-(2-(4-(Diphenylamino)benzylidene)hydrazinyl)-N-hydroxy-8-oxooctanamide
3-Prenylrubranine
Sophoranochromene
Sophoradochromene
2-methyl-5-(1-methylethyl)-phenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|carvacrol 2-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
(5S)--5,6,7,7a,7b,12b-hexahydro-3,4,5,11,12b-pentamethyl-10-[(3E)-pent-3-en-1-yl]-furo[3,2:6,7]naphthol[1,8:4,5,6]pyrano[3,2-b]benzofuran-9-ol
3alpha,11alpha-cyclotaxinine NN-2|3alpha,9alpha,10beta-triacetoxy-3alpha,11alpha-cyclotaxa-4(20),5-dien-13-one
(2E)-1-(3,4-dihydro-5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)-2H-1-benzopyran-6-yl]prop-2-en-1-one|tokinochromane C
6beta,9beta-diacetoxy-1alpha-benzoyloxydihydro-beta-agarofuran
5-Hydroxy-8-(4-methyl-3-pentenyl)-8-methyl-6-(2-methyl-1-oxopropyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one
(1alpha,4beta,8beta)-6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one|chloriolin B
4,6-decadiyne-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
berkeleyone B
A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
berkeleyone C
A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
11-hydroxykopsilongine|N-carbomethoxy-11-hydroxy-12-methoxy-kopsininaline
Hydroxystrobilurin D
9-acetoxy-gamma-geraniol-(2,6-diacetyl-beta-D-glucopyranoside)
1alpha,8beta-diacetoxy-9beta-benzoyloxydihydro-beta-agarofuran
lespeflorin A3
A monohydroxyflavanone that is flavanone substituted with a hydroxy group at position 7, prenyl groups at positions 6 and 8 and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 3 and 4. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
23-Methylauricepyron|23-Methylauricepyrone|Methylauricepyron
1alpha,15-diacetoxy-9beta-benzoyloxy-beta-dihydrofuran
C26H34O7_1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate
C26H34O7_8,12-Methanocycloocta[3,4]benz[1,2-c]oxepin-8(5H)-carboxylic acid, 3,5a,6,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-, methyl ester
2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0²,⁸.0¹²,¹⁷]nonadec-3-en-10-yl acetate
2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0²,⁸.0¹²,¹⁷]nonadec-3-en-10-yl acetate_major
2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0²,?.0¹²,¹?]nonadec-3-en-10-yl acetate
Asp Asp Ile Pro
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Phe Gly His Val
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Ile Asp Asp Pro
Ile Asp Pro Asp
Ile Glu Pro Thr
Ile Glu Thr Pro
Ile Pro Asp Asp
Ile Pro Glu Thr
Ile Pro Thr Glu
Ile Thr Glu Pro
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Leu Glu Pro Thr
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Thr His Thr Thr
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Thr Leu Glu Pro
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Thr Asn Pro Gln
Thr Asn Gln Pro
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Thr Pro Glu Leu
Thr Pro Ile Glu
Thr Pro Leu Glu
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LysoPA(20:4/0:0)
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2&alpha
(4R,5S)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
4-((1H-INDAZOL-6-YL)AMINO)-6-METHOXY-7-(3-MORPHOLINOPROPOXY)QUINOLINE-3-CARBONITRILE
decanedioic acid,dimethyl benzene-1,4-dicarboxylate,ethane-1,2-diol
2-Ethoxy-1-[[2-[(hydroxyamino)iminomethyl][1,1-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid ethyl ester
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-1-3-(1-methylethoxy)propyl-2-oxo-5-4-(phenylazo)phenylazo-
1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene
5-[(1R)-1-Hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]-8-(phenylmethoxy)-2(1H)-quinolinone
2-C-(2,3,4,6-Tetra-O-benzyl-a-D-glucopyranosyl) ethyne
2-(1-((2-(1H-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)Methyl)-2-butyl-4-Methyl-6-oxo-1,6-dihydropyriMidin-5-yl)acetic acid
(1R,3R,5S,6R)-8-Methyl-3-[(3,4,5-trimethoxybenzoyl)oxy]-8-azabicy clo[3.2.1]oct-6-yl 1-methyl-1H-pyrrole-2-carboxylate
4-(8-((4-((1S,4S)-5-Isopropyl-2,5-diazabicyclo(2.2.1)heptan-2-yl)phenyl)amino)-(1,2,4)triazolo(1,5-a)pyrazin-5-yl)furan-2-carboxamide
N-hydroxy-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors D000970 - Antineoplastic Agents
Ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
3-[(3-Aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester
4-(4-Hydroxy-2-methoxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid
2-Hydroxy-desipramine glucuronide
2-Hydroxy-desipramine glucuronide is a metabolite of desipramine. Desipramine (also known as desmethylimipramine) is a tricyclic antidepressant (TCA). It inhibits the reuptake of norepinephrine and to a lesser extent serotonin. It is used to treat depression, but not considered a first line treatment since the introduction of SSRI antidepressants. Desipramine is an active metabolite of imipramine. It is sold under the brand names Norpramin and Pertofane. Along with other tricyclics, desipramine has found use in treating neuropathic pain. (Wikipedia)
[(1S,2R,3R,4S,5R)-5-azaniumyl-2-[(2S,3R,4R,5S,6R)-3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]azanium
2-amino-N-[5-[(6-dimethylamino-9H-purin-9-yl)]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)-propanamid
Fumagilina
Fumagillin(NSC9168) is an antimicrobial compound first isolated in 1949 from the fungus Aspergillus fumigatu. Fumagillin can inhibits HIV‐1 infection through the inhibition of HIV-1 viral protein R (Vpr) activity.
Berkeleytrione
A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
Homoplatensimide A
A polycyclic cage compound isolated from Streptomyces platensis.
O-demethylpuromycin(1+)
The conjugate acid of O-demethylpuromycin; major species at pH 7.3.
3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)urea
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(triluoromethyl)phenyl]pyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclobutanecarboxamide
1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
1-(3-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
(6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
1-(3-fluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
(6R,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
6-hydroxy-6-(hydroxymethyl)-1,1,4a-trimethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
6,8a-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
6,7-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
1-arachidonoyl-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate in which the 1-O-acyl group is specified as arachidonoyl.
2-Arachidonoyl-sn-glycero-3-phosphate
A 2-acyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl group is specified as arachidonoyl.
Avitriptan
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
methyl (2Z,3E,5Z)-6-[4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-3-(hydroxymethyl)-2-(methoxymethylidene)hexa-3,5-dienoate
BIX 02565
BIX 02565 is a potent ribosomal S6 kinase 2 (RSK2) inhibitor with IC50 of 1.1 nM.
FABPs ligand 6
FABPs ligand 6 (MF6) is an FABP5 and FABP7 inhibitor with KD values of 874 nM and 20 nM, respectively. FABPs ligand 6 can be used for multiple sclerosis research[1].
(1r,2r,4s,7s,8s,11r,12r,13r,16r)-7-(furan-3-yl)-13-(methoxymethyl)-1,8,12,15,15-pentamethyl-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecane-5,18-dione
(1's,2s,3'r,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one
3-{[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)-5-(2-methylbutanoyl)phenyl]methyl}-6-ethyl-4-hydroxy-5-methylpyran-2-one
2,9,18-trimethyl (1r,9s,15s,16r,18r)-15-hydroxy-2,12-diazapentacyclo[14.2.2.0¹,⁹.0³,⁸.0¹²,¹⁶]icosa-3,5,7-triene-2,9,18-tricarboxylate
2-[(5-{5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl}-1-hydroxy-2-methylpent-2-en-1-ylidene)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid
(1s,2r,5s,6s,7s,9r,12r)-7,12-bis(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
2,18-dimethyl (1s,9r,16s,17s,18r,21r)-17,18-dihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate
methyl (2e,3z,5e)-6-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-f]chromen-2-one
n-[(11s,17s)-10-hydroxy-2,16-dioxo-1,9,15-triazapentacyclo[17.6.1.0³,⁸.0¹¹,¹⁵.0²⁰,²⁵]hexacosa-3,5,7,9,19(26),20,22,24-octaen-17-yl]-n-methylacetamide
3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-(4-methyl-5-oxooxolan-2-yl)-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one
(3r,8ar)-5-methyl-3-[(13-oxohexadecyl)oxy]-1h,8h,8ah-3λ⁵-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione
(8r)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-f]chromen-2-one
(2z,6e)-2-[(3r)-3-chloro-4-methylpent-4-en-1-yl]-9-[(2r)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methylnona-2,6-dienoic acid
methyl 3-[7-hydroxy-11-methoxy-4,5a,9-trimethyl-1-oxo-8-(prop-1-en-2-yl)-3h,6h,7h,8h,9ah,10h-furo[3,4-b]xanthen-9-yl]propanoate
6-ethylidene-3,5,9-trihydroxy-8-isopropyl-11,20-dimethyl-4-oxa-11,20-diazapentacyclo[8.7.3.0¹,¹⁰.0²,⁷.0¹²,¹⁷]icosa-12,14,16-triene-2-carboxylic acid
2-(deca-4,6-diyn-1-yloxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-(deca-4,6-diyn-1-yloxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
[(1r,4s,10s,11s,13s,15r)-11-(acetyloxy)-4-ethenyl-8,15-dihydroxy-4,10-dimethyl-7-oxotetracyclo[7.5.1.0¹,⁶.0¹³,¹⁵]pentadeca-5,8-dien-10-yl]methyl 2-methylpropanoate
12β-hydroxycinobufagin
{"Ingredient_id": "HBIN000753","Ingredient_name": "12\u03b2-hydroxycinobufagin","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "CC(=O)OC1C(C2(C(CC3C(C24C1O4)CCC5C3(CCC(C5)O)C)O)C)C6=COC(=O)C=C6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9917","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1α,8β-diacetoxy-9β-benzoyloxydihydro-β-agarofuran
{"Ingredient_id": "HBIN002300","Ingredient_name": "1\u03b1,8\u03b2-diacetoxy-9\u03b2-benzoyloxydihydro-\u03b2-agarofuran","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5285","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-methylichangensin
{"Ingredient_id": "HBIN002923","Ingredient_name": "1-o-methylichangensin","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "CC1(C2CC(=O)C3(C(C2(C(O1)(C)OC)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14516","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-6-isobutyryl-8-methyl-8-(4-methyl-pent-3-enyl)-4-phenyl-2h-pyrano[2,3-h ]chro-men-2-one
{"Ingredient_id": "HBIN011628","Ingredient_name": "5-hydroxy-6-isobutyryl-8-methyl-8-(4-methyl-pent-3-enyl)-4-phenyl-2h-pyrano[2,3-h ]chro-men-2-one","Alias": "NA","Ingredient_formula": "C29H30O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10240","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6α-hydroxycinobufagin
{"Ingredient_id": "HBIN012203","Ingredient_name": "6\u03b1-hydroxycinobufagin","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "CC(=O)OC1C(C2(CCC3C(C24C1O4)CC(C5C3(CCC(C5)O)C)O)C)C6=COC(=O)C=C6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9916","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}