Exact Mass: 458.22237400000006
Exact Mass Matches: 458.22237400000006
Found 500 metabolites which its exact mass value is equals to given mass value 458.22237400000006
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Astemizole
C28H31FN4O (458.24817679999995)
Astemizole is a long-acting, non-sedating second generation antihistamine used in the treatment of allergy symptoms. It was withdrawn from market by the manufacturer in 1999 due to the potential to cause arrhythmias at high doses, especially when when taken with CYP inhibitors or grapefruit juice. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Astemizole (R 43512), a second-generation antihistamine agent to diminish allergic symptoms with a long duration of action, is a histamine H1-receptor antagonist, with an IC50 of 4 nM. Astemizole also shows potent hERG K+ channel blocking activity with an IC50 of 0.9 nM. Astemizole has antipruritic effects[1][2].
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
C26H34O5S (458.21268340000006)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
Advantame
Avitriptan
C22H30N6O3S (458.20999900000004)
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
C23H30N4O4S (458.19876600000003)
(E)-8-(2-(4-(Diphenylamino)benzylidene)hydrazinyl)-N-hydroxy-8-oxooctanamide
C27H30N4O3 (458.23177899999996)
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
C23H35ClO7 (458.20711900000003)
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
Ala Ile Gln Gln
Ala Leu Gln Gln
Ala Gln Ile Gln
Ala Gln Leu Gln
Ala Gln Gln Ile
Ala Gln Gln Leu
Asp Asp Ile Pro
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Asp Asp Pro Ile
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Asp Glu Pro Val
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Asp Ile Asp Pro
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Asp Pro Ile Asp
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Asp Val Glu Pro
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Glu Asp Pro Val
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Glu Ile Pro Thr
Glu Ile Thr Pro
Glu Leu Pro Thr
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Glu Pro Thr Leu
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Phe Gly His Val
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Ile Ala Gln Gln
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Ile Pro Asp Asp
Ile Pro Glu Thr
Ile Pro Thr Glu
Ile Gln Ala Gln
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Leu Ala Gln Gln
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Leu Asn Asn Val
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Pro Asp Asp Ile
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Pro Gln Asn Thr
Pro Gln Gln Ser
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Pro Thr Glu Ile
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Pro Thr Ile Glu
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Pro Thr Leu Glu
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Pro Val Asp Glu
Pro Val Glu Asp
Gln Ala Ile Gln
Gln Ala Leu Gln
Gln Ala Gln Ile
Gln Ala Gln Leu
Gln Ile Ala Gln
Gln Ile Gln Ala
Gln Lys Pro Ser
Gln Lys Ser Pro
Gln Leu Ala Gln
Gln Leu Gln Ala
Gln Asn Pro Thr
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Gln Pro Gln Ser
Gln Pro Ser Lys
Gln Pro Ser Gln
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Gln Gln Ala Ile
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Gln Gln Ile Ala
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Thr Glu Ile Pro
Thr Glu Leu Pro
Thr Glu Pro Ile
Thr Glu Pro Leu
Thr His Thr Thr
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Thr Ile Pro Glu
Thr Leu Glu Pro
Thr Leu Pro Glu
Thr Asn Pro Gln
Thr Asn Gln Pro
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Thr Pro Ile Glu
Thr Pro Leu Glu
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Thr Pro Gln Asn
Thr Gln Asn Pro
Thr Gln Pro Asn
Thr Thr His Thr
Thr Thr Thr His
Val Asp Glu Pro
Val Asp Pro Glu
Val Glu Asp Pro
Val Glu Pro Asp
Val Phe Gly His
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Val Pro Asp Glu
Val Pro Glu Asp
Val Val Gln Asn
LysoPA(20:4/0:0)
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2&alpha
C24H33F3O5 (458.22799640000005)
Digalactosyldiacylglyceride Mixture
C18H34O13 (458.19993139999997)
(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
C25H26N6O3 (458.20662860000004)
decanedioic acid,dimethyl benzene-1,4-dicarboxylate,ethane-1,2-diol
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-1-3-(1-methylethoxy)propyl-2-oxo-5-4-(phenylazo)phenylazo-
C25H26N6O3 (458.20662860000004)
1-oleoyl-sn-glycero-3-phosphate sodium salt
C21H40NaO7P (458.24092200000007)
1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene
C32H31BO2 (458.24169759999995)
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
C25H26N6O3 (458.20662860000004)
tributyl(5-hexylthiophen-2-yl)stannane
C22H42SSn (458.20290420000003)
(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
C27H30N4O3 (458.23177899999996)
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
C27H30N4O3 (458.23177899999996)
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)
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedioate
C30H34O4-2 (458.24569640000004)
[(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
C21H28N7O5+ (458.21518180000004)
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+)
C21H28N7O5+ (458.21518180000004)
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
C25H26N6O3 (458.20662860000004)
3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
C26H30N6O2 (458.24301199999996)
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
C26H30N6O2 (458.24301199999996)
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
L-alanyl-L-phenylalanyl-L-proline 2-naphthylamide
C27H30N4O3 (458.23177899999996)
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
astemizole
C28H31FN4O (458.24817679999995)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Astemizole (R 43512), a second-generation antihistamine agent to diminish allergic symptoms with a long duration of action, is a histamine H1-receptor antagonist, with an IC50 of 4 nM. Astemizole also shows potent hERG K+ channel blocking activity with an IC50 of 0.9 nM. Astemizole has antipruritic effects[1][2].
CID 14203
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].
1-arachidonoyl-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate in which the 1-O-acyl group is specified as arachidonoyl.
4,4-diapolycopenedioate
A dicarboxylic acid dianion derived from 4,4-diapolycopen-4,4-dioic acid. Major structure at pH 7.3,
2-Arachidonoyl-sn-glycero-3-phosphate
A 2-acyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl group is specified as arachidonoyl.
Avitriptan
C22H30N6O3S (458.20999900000004)
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
C26H30N6O2 (458.24301199999996)
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-[9-hydroxy-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7,9,11-trien-10-yl]-3-phenylprop-2-en-1-one
(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
(4as,8as,9as)-9a-[(4as,8as,9as)-3,8a-dimethyl-5-methylidene-2-oxo-4h,4ah,6h,9h-naphtho[2,3-b]furan-9a-yl]-3,8a-dimethyl-5-methylidene-4h,4ah,6h,9h-naphtho[2,3-b]furan-2-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
2-({9-hydroxy-3,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-4-yl}methyl)-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-9-ol
(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
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
(2e)-3-[2,2-dimethyl-8-(3-methylbut-2-en-1-yl)chromen-6-yl]-1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)prop-2-en-1-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
C27H35ClO4 (458.22237400000006)