Exact Mass: 414.1862886
Exact Mass Matches: 414.1862886
Found 500 metabolites which its exact mass value is equals to given mass value 414.1862886
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Diltiazem
C22H26N2O4S (414.16131960000007)
Diltiazem is only found in individuals that have used or taken this drug. It is a benzothiazepine derivative with vasodilating action due to its antagonism of the actions of the calcium ion in membrane functions. It is also teratogenic. [PubChem]Possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, diltiazem, like verapamil, inhibits the influx of extracellular calcium across both the myocardial and vascular smooth muscle cell membranes. The resultant inhibition of the contractile processes of the myocardial smooth muscle cells leads to dilation of the coronary and systemic arteries and improved oxygen delivery to the myocardial tissue. C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DB - Benzothiazepine derivatives C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Eplerenone
Eplerenone, an aldosterone receptor antagonist similar to spironolactone, has been shown to produce sustained increases in plasma renin and serum aldosterone, consistent with inhibition of the negative regulatory feedback of aldosterone on renin secretion. The resulting increased plasma renin activity and aldosterone circulating levels do not overcome the effects of eplerenone. Eplerenone selectively binds to recombinant human mineralocorticoid receptors relative to its binding to recombinant human glucocorticoid, progesterone and androgen receptors. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
LSM-1839
C26H26N2O3 (414.19433260000005)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
Magnoshinin
A neolignan that consists of 1,2-dihydronaphthalene substituted by a 2,4,5-trimethoxyphenyl group at position 1 (the 1S,2R stereoisomer), methyl groups at positions 2 and 3, and methoxy groups at positions 5, 7 and 8 respectively.
Neoisostegane
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Garcinone C
Garcinone C is a member of xanthones. Garcinone C is a natural product found in Garcinia xipshuanbannaensis, Garcinia mangostana, and Hypericum perforatum with data available. From Garcinia mangostana (mangosteen). Garcinone C is found in fruits and purple mangosteen. Garcinone C is found in fruits. Garcinone C is from Garcinia mangostana (mangosteen Garcinone C, a xanthone derivative, is a natural compound extracted from Garcinia oblongifolia that is used as an anti-inflammatory, astringency and granulation-promoting medicine, and has potential cytotoxic effects on certain cancers. Garcinone C stimulates the expression levels of ATR and 4E-BP1, while efficiently inhibiting the expression levels of cyclin B1, cyclin D1, cyclin E2, cdc2, Stat3 and CDK7. Garcinone C significantly inhibits cell viability of the human Nasopharyngeal carcinoma (NPC) cell lines CNE1, CNE2, HK1 and HONE1 in a time? and dose?dependent manner[1].
4-O-Methylmelleolide
4-O-Methylmelleolide is from Armillaria mellea (honey mushroom). From Armillaria mellea (honey mushroom)
Armillarin
Armillarin is found in mushrooms. Armillarin is isolated from Armillaria mellea (honey mushroom). Isolated from Armillaria mellea (honey mushroom). Armillarin is found in mushrooms.
Armillaripin
Armillaripin is found in mushrooms. Armillaripin is a constituent of Armillaria mellea (honey mushroom) Constituent of Armillaria mellea (honey mushroom). Armillaripin is found in mushrooms.
Heteroflavanone C
Heteroflavanone C is found in fruits. Heteroflavanone C is a constituent of the root bark of Artocarpus heterophyllus (jackfruit). Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone C is found in jackfruit and fruits.
Clausarinol
Clausarinol is found in citrus. Clausarinol is a constituent of a cross hybrid of Citrus paradisi (grapefruit) and Citrus tangerina (tangerine). Constituent of a cross hybrid of Citrus paradisi (grapefruit) and Citrus tangerina (tangerine). Clausarinol is found in citrus.
1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate
1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate is found in herbs and spices. Consit. of Myristica fragrans (nutmeg
Dilacor XR
C22H26N2O4S (414.16131960000007)
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
(1S,2S,13R,21S)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
C26H26N2O3 (414.19433260000005)
1,4-Bis((m-methoxyphenoxy)acetyl)piperazine
2-[[(2S)-1-[[(2S)-2-Carboxy-2-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-phenylbutanoic acid
Momelotinib
C23H22N6O2 (414.18041519999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
3-[2-[4-(3-Chloro-2-methylphenyl)piperazin-1-yl]ethyl]-5,6-dimethoxy-2H-indazole
3-(5-(4-(1H-Imidazol-1-yl)phenyl)-1-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-2-yl)propanoic acid
Heteroflavanone C
2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol
11-hydroxy-12-methoxy-19alpha-methyl-2-oxo-(20alpha)-formosanane-16-carboxylic acid methyl ester|O11-demethyl-majdine|Vinerinin|vinerinine
(5alpha,16beta)-14,16-Dihydroxy-3,19-dioxobufa-20,22-dienolide
3-(2-Methyl-2-propenoyl),6-tigloyl-3,6-Dihydroxyfuranoeremophilan-9-one
(1R*,2R*,5Z,10S*,11Z,14S*)-2,14-diacetoxybriara-5,7,11,17-tetraen-3-one
(7S,8R,1R,2R,3S)-Delta8-2acetoxy-3,3,5-trimethoxy-4,5-methylenedioxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan|(7S,8R,1S,2S,3R)-Delta8-2-acetoxy-3,5-dimethoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan
14,15beta-Epoxy-3beta,5-dihydroxy-19-oxo-5beta,14beta-bufa-20,22-dienolid|14,15beta-epoxy-3beta,5-dihydroxy-19-oxo-5beta,14beta-bufa-20,22-dienolide|bufotalinin
(7R,8R,3R)-7-acetoxy-3,4-dimethoxy-3,4-methylenedioxy-6-oxo-Delta-1,4,8-8.3-lignan|7-Ac-2-Allyl-4-[2-hydroxy-1-methyl-2-(3,4-metylenedioxyphenyl)ethyl]4,5-dimethoxy-2,5-cyclohexadien-1-one
3,6,7-Trimethoxy-4,5-diaethoxy-flavon|3,6-Dimethoxy-4,5,7-triethoxy-flavon|5,7,4-Triaethoxy-3,6-dimethoxy-flavon|5,7-diethoxy-2-(4-ethoxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one|6,3-Dimethoxy-5,7,4-triethoxy-flavon
(7R,8S,7S,8R)-4-hydroxy-4-methoxy-7,9-epoxylignane-7,9-diyl diacetate|(alpha3S,3R,4S,5R)-tetrahydro-5-(4-hydroxyphenyl)-alpha3-(4-methoxyphenyl)furan-3,4-dimethanol 3,4-diacetate|acerifuranoid A
(2S,3S)-4,5-dehydro-4,5-methylenedioxy-3,4,5,3-tetramethoxy-2,5-epoxylignan|beilschmin C
(1R,2S,5R,6R)-2,6-bis(3-ethyl-4-hydroxy-5-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane|4,4-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-ethyl-6-methoxyphenol]
1,3,5,6-tetrahydroxy-7-(3-methylbut-2-enyl)-8-(3-hydroxy-3-methylbutyl)xanthone|garcinexanthone D
(7S,8S,R-biar)-6,6,7,8-tetrahydro-12,13-methylenedioxy-1,2,3,14-tetramethoxy-7,8-dimethyldibenzo[a,c]cycloocten-9-one|(7S,8S,Ra)-6,6,7,8-tetrahydro-12,13-methylenedioxy-1,2,3,14-tetramethoxy-7,8-dimethyldibenzo[a,c]cycloocten-9-one
1-(4-Hydroxy-3-methoxyphenyl)-3-oxotetradecane-5-sulfonic acid
C21H34O6S (414.20759840000005)
1beta-hydroxyl-15-O-(p-methoxyphenylacetyl)-5alpha,6beta,11betaH-eudesma-3-en-12, 6alpha-olide
1,3,7,9-tetrahydroxy-2,8-dimethyl-4-(2-methylbutanoyl)-6-(2-methylpropionyl)dibenzofuran
1,3,7,9-tetrahydroxy-4,6-dimethyl-2-(2-methylbutanoyl)-8-(2-methylpropionyl)-dibenzofuran
(Ra)-3,3,4,5-tetramethoxy-4,5-methylenedioxypyramidatin|(Sa)-3,3,4,5-tetramethoxy-4,5-methylenedioxypyramidatin
(aS)-(5R,6S,7S)-5,6,7,8-tetrahydro-5,13,14-trimethoxy-6,7-dimethyl-1,3-benzodioxolo[5,6:3,4]cycloocta[1,2-f][1,3]benzodioxole|methylgomisin R
fukanedone C|rel-3(S)-(2,4-dihydroxybenzoyl)-4(R),5(R)-dimethyl-5-[4,8-dimethyl-4(E)-7-nonadien-6-onyl]tetrahydro-2-furanone
8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane
N-methylhydrasteine hydroxy lactam|N-methylhydrasteine hydroxylactam
1alpha,6alpha-diacetoxy-ent-kaura-9(11),16-dien-12,15-dione
13,14-dioxo-11-hydroxy-7-methoxy-hassane-8,11-15-trien-(22,6)-olide
Alpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose|Me glycoside, 2-benzyl-alphaalpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose
alpha,alpha-dihydro,3,5,2-trimethoxy-3-hydroxy-4-acetyl-4-isopentenylstilbene
7-Formyl-3-methylene-6E-octenol-O-beta-D-(2,6-O-diacetylglucopyranoside)|7-Formyl-3-methylene-6E-octenol-O-beta-D-<2,6-O-diacetylglucopyranoside>
5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Schisanlignone C
Diltiazem
C22H26N2O4S (414.16131960000007)
C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DB - Benzothiazepine derivatives C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker CONFIDENCE standard compound; EAWAG_UCHEM_ID 3017
Eplerenone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
[1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate
2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid
6,8-dihydroxy-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9-propan-2-yl-9H-xanthene-1,3-dione
2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid
C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate
Naltrindole
C26H26N2O3 (414.19433260000005)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid
[1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based: Match]
[1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based on: CCMSLIB00000845212]
2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid_major
2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid_0.4\\%
Ala Asp Ile Pro
Ala Asp Leu Pro
Ala Asp Pro Ile
Ala Asp Pro Leu
Ala Glu Pro Val
Ala Glu Val Pro
Ala Gly His Met
C16H26N6O5S (414.16853060000005)
Ala Gly Met His
C16H26N6O5S (414.16853060000005)
Ala His Gly Met
C16H26N6O5S (414.16853060000005)
Ala His Met Gly
C16H26N6O5S (414.16853060000005)
Ala His Ser Thr
Ala His Thr Ser
Ala Ile Asp Pro
Ala Ile Pro Asp
Ala Leu Asp Pro
Ala Leu Pro Asp
Ala Met Gly His
C16H26N6O5S (414.16853060000005)
Ala Met His Gly
C16H26N6O5S (414.16853060000005)
Ala Met Pro Pro
Ala Asn Asn Pro
Ala Asn Pro Asn
Ala Pro Asp Ile
Ala Pro Asp Leu
Ala Pro Glu Val
Ala Pro Ile Asp
Ala Pro Leu Asp
Ala Pro Met Pro
Ala Pro Asn Asn
Ala Pro Pro Met
Ala Pro Val Glu
Ala Ser His Thr
Ala Ser Thr His
Ala Thr His Ser
Ala Thr Ser His
Cys Gly His Val
C16H26N6O5S (414.16853060000005)
Cys Gly Val His
C16H26N6O5S (414.16853060000005)
Cys His Gly Val
C16H26N6O5S (414.16853060000005)
Cys His Val Gly
C16H26N6O5S (414.16853060000005)
Cys Pro Pro Val
Cys Pro Val Pro
Cys Val Gly His
C16H26N6O5S (414.16853060000005)
Cys Val His Gly
C16H26N6O5S (414.16853060000005)
Cys Val Pro Pro
Asp Pro Pro Ser
Asp Pro Ser Pro
Asp Ser Pro Pro
Gly Ala His Met
C16H26N6O5S (414.16853060000005)
Gly Ala Met His
C16H26N6O5S (414.16853060000005)
Gly Cys His Val
C16H26N6O5S (414.16853060000005)
Gly Cys Val His
C16H26N6O5S (414.16853060000005)
Gly His Ala Met
C16H26N6O5S (414.16853060000005)
Gly His Cys Val
C16H26N6O5S (414.16853060000005)
Gly His Met Ala
C16H26N6O5S (414.16853060000005)
Gly His Thr Thr
Gly His Val Cys
C16H26N6O5S (414.16853060000005)
Gly Met Ala His
C16H26N6O5S (414.16853060000005)
Gly Met His Ala
C16H26N6O5S (414.16853060000005)
Gly Asn Pro Gln
Gly Asn Gln Pro
Gly Pro Asn Gln
Gly Pro Gln Asn
Gly Gln Asn Pro
Gly Gln Pro Asn
Gly Thr His Thr
Gly Thr Thr His
Gly Val Cys His
C16H26N6O5S (414.16853060000005)
Gly Val His Cys
C16H26N6O5S (414.16853060000005)
His Ala Gly Met
C16H26N6O5S (414.16853060000005)
His Ala Met Gly
C16H26N6O5S (414.16853060000005)
His Ala Ser Thr
His Ala Thr Ser
His Cys Gly Val
C16H26N6O5S (414.16853060000005)
His Cys Val Gly
C16H26N6O5S (414.16853060000005)
His Gly Ala Met
C16H26N6O5S (414.16853060000005)
His Gly Cys Val
C16H26N6O5S (414.16853060000005)
His Gly Met Ala
C16H26N6O5S (414.16853060000005)
His Gly Thr Thr
His Gly Val Cys
C16H26N6O5S (414.16853060000005)
His Met Ala Gly
C16H26N6O5S (414.16853060000005)
His Met Gly Ala
C16H26N6O5S (414.16853060000005)
His Ser Ala Thr
His Ser Thr Ala
His Thr Ala Ser
His Thr Gly Thr
His Thr Ser Ala
His Thr Thr Gly
His Val Cys Gly
C16H26N6O5S (414.16853060000005)
His Val Gly Cys
C16H26N6O5S (414.16853060000005)
Met Ala Gly His
C16H26N6O5S (414.16853060000005)
Met Ala His Gly
C16H26N6O5S (414.16853060000005)
Met Ala Pro Pro
Met Gly Ala His
C16H26N6O5S (414.16853060000005)
Met Gly His Ala
C16H26N6O5S (414.16853060000005)
Met His Ala Gly
C16H26N6O5S (414.16853060000005)
Met His Gly Ala
C16H26N6O5S (414.16853060000005)
Met Pro Ala Pro
Met Pro Pro Ala
Asn Ala Asn Pro
Asn Ala Pro Asn
Asn Gly Pro Gln
Asn Gly Gln Pro
Asn Asn Ala Pro
Asn Asn Pro Ala
Asn Pro Ala Asn
Asn Pro Gly Gln
Asn Pro Asn Ala
Asn Pro Gln Gly
Asn Gln Gly Pro
Asn Gln Pro Gly
Pro Ala Met Pro
Pro Ala Asn Asn
Pro Ala Pro Met
Pro Cys Pro Val
Pro Cys Val Pro
Pro Asp Pro Ser
Pro Asp Ser Pro
Pro Gly Asn Gln
Pro Gly Gln Asn
Pro Met Ala Pro
Pro Met Pro Ala
Pro Asn Ala Asn
Pro Asn Gly Gln
Pro Asn Asn Ala
Pro Asn Gln Gly
Pro Pro Ala Met
Pro Pro Cys Val
Pro Pro Asp Ser
Pro Pro Met Ala
Pro Pro Ser Asp
Pro Pro Val Cys
Pro Gln Gly Asn
Pro Gln Asn Gly
Pro Ser Asp Pro
Pro Ser Pro Asp
Pro Val Cys Pro
Pro Val Pro Cys
Gln Gly Asn Pro
Gln Gly Pro Asn
Gln Asn Gly Pro
Gln Asn Pro Gly
Gln Pro Gly Asn
Gln Pro Asn Gly
Ser Ala His Thr
Ser Ala Thr His
Ser Asp Pro Pro
Ser His Ala Thr
Ser His Thr Ala
Ser Pro Asp Pro
Ser Pro Pro Asp
Ser Thr Ala His
Ser Thr His Ala
Thr Ala His Ser
Thr Ala Ser His
Thr Gly His Thr
Thr Gly Thr His
Thr His Ala Ser
Thr His Gly Thr
Thr His Ser Ala
Thr His Thr Gly
Thr Ser Ala His
Thr Ser His Ala
Thr Thr Gly His
Thr Thr His Gly
Val Cys Gly His
C16H26N6O5S (414.16853060000005)
Val Cys His Gly
C16H26N6O5S (414.16853060000005)
Val Cys Pro Pro
Val Gly Cys His
C16H26N6O5S (414.16853060000005)
Val Gly His Cys
C16H26N6O5S (414.16853060000005)
Val His Cys Gly
C16H26N6O5S (414.16853060000005)
Val His Gly Cys
C16H26N6O5S (414.16853060000005)
Val Pro Cys Pro
Val Pro Pro Cys
SU 11652
Garcinone C
Garcinone C, a xanthone derivative, is a natural compound extracted from Garcinia oblongifolia that is used as an anti-inflammatory, astringency and granulation-promoting medicine, and has potential cytotoxic effects on certain cancers. Garcinone C stimulates the expression levels of ATR and 4E-BP1, while efficiently inhibiting the expression levels of cyclin B1, cyclin D1, cyclin E2, cdc2, Stat3 and CDK7. Garcinone C significantly inhibits cell viability of the human Nasopharyngeal carcinoma (NPC) cell lines CNE1, CNE2, HK1 and HONE1 in a time? and dose?dependent manner[1].
Armillaripin
1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate
4-O-Methylmelleolide
Armillarin
Clausarinol
1,5-Dideoxy-3-C-({[2-(?-glutamylamino)-5-hydroxybenzyl]oxy}carbonyl)pentitol
N-Benzyloxycarbonyl-4-[(3R)-3-amino-1-oxo-4-(phenylthio)butyl]morpholine
C22H26N2O4S (414.16131960000007)
(R)-BENZYL (1-(4-((1H-PYRROLO[2,3-B]PYRIDIN-4-YL)CARBAMOYL)PHENYL)ETHYL)CARBAMATE
Doxapram hydrochloride
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D019141 - Respiratory System Agents
GR 159897
GR 159897 is a highly potent, selective, competitive, brain-penetrated non-peptide neurokinin 2 (NK2) receptor antagonist. GR 159897 has little or no affinity for NK1 and NK3 receptors. GR 159897 inhibits binding of [3H]GR100679 to human NK2 (hNK2)-CHO cells and rat colon membranes with pKis of 9.51 and 10, respectively. Antagonizes bronchoconstriction. Anxiolytic-like and anti-tumor effects[1][2].
diethyl 2-(2-(2-(2-methacrylamidoacetamido)acetamido)acetamido)malonate
Nicametate Citrate
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-Acetate
1,3-diisocyanato-2-methylbenzene,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,2-(2-hydroxyethoxy)ethanol
7β-Eplerenone Impurity
3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium chloride
C27H27ClN2 (414.18626520000004)
4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-β-D-galactopyranoside
(6R,7S)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-5,8-epoxybenzo[3,4]cycloocta[1,2:4,5]benzo[1,2-d][1,3]dioxole
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
C26H26N2O3 (414.19433260000005)
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
8-[[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione
C20H26N6O4 (414.20154360000004)
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate
5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
4-Chloro-N-(3-Methoxypropyl)-N-[(3s)-1-(2-Phenylethyl)piperidin-3-Yl]benzamide
N-{2-[6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-YL]ethyl}acetamide
Momelotinib
C23H22N6O2 (414.18041519999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
N1-citryl-N3-dec-2-enoyl-N3-hydroxy-1,3-diaminopropane
5-Fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
2-amino-4-(2-ethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
methyl 3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8-hydroxy-6a,8-dimethyl-6-oxo-9,9a-dihydrofuro[2,3-h]isochromene-9-carboxylate
Chaetoglobosin L
A macrocycle isolated from Chaetomium globosum and has been shown to exhibit antifungal and cytotoxic activity.
Ala-Asn-Asn-Pro
A tetrapeptide composed of an L-alanyl, two L-asparagyl units, and an L-proline joined by peptide linkages.
4-(3-Methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
4-tert-butyl-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide
C23H30N2O3S (414.19770300000005)
2-[(1S,2R,5S,9R,12S,16R)-2-hydroxy-1,5,12-trimethyl-11-oxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-en-5-yl]ethyl hydrogen sulfate
15-Benzyl-18-phenyl-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-(4-pyridin-4-yl-2-pyridinyl)butanamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
C19H27FN2O5S (414.16246240000004)
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] undecanoate
C17H35O9P (414.20185900000007)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] pentanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] heptanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] hexanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] octanoate
methyl (1S,2S,9R,10R,11S,14S,15S,17S)-2,15-dimethyl-5,5-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2-oxolane]-9-carboxylate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] heptanoate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-pentanoyloxypropyl] pentanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] octanoate
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] hexanoate
2-(3-(4-Trimethylsilyloxybenzoyl)phenyl)propionic acid trimethylsilyl ester
C22H30O4Si2 (414.16825400000005)
2-(3-(3-Trimethylsilyloxybenzoyl)phenyl)propionic acid trimethylsilyl ester
C22H30O4Si2 (414.16825400000005)
Dilacor XR
C22H26N2O4S (414.16131960000007)
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
AS-186b
A dibenzodioxocine that is the 1-O-acetyl derivative of penicillide. It is isolated from Penicillium purpurogenum and acts as an acyl-CoA:cholesterol acyltransferase inhibitor.
JNJ-46281222
JNJ-46281222 is an metabotropic glutamate (mGlu) 2-selective, highly potent PAM (positive allosteric modulator) with nanomolar affinity (Kd = 1.7 nM) and a high modulatory potency (pEC50?= 7.71)[1].
pregnenetriol sulfate
new metabolite created
methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
(2r,3s,4as,11br)-3-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-2-yl acetate
(2r,3s,4r,6r)-3-(acetyloxy)-6-{[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl}-2-[(1e)-2-phenylethenyl]oxan-4-yl acetate
2-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-3-yl acetate
[2-(3,4-dimethoxyphenyl)-7-hydroxy-5-(3-methoxyprop-1-en-1-yl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
6,8-dihydroxy-9-isopropyl-2,2,4,4-tetramethyl-7-(2-methylpropanoyl)-9h-xanthene-1,3-dione
(3as,4s,4ar,7as,8s,9r,9as)-4a,8-dimethyl-3-methylidene-4-[(2-methylprop-2-enoyl)oxy]-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-9-yl 2-methylprop-2-enoate
(6r,6as,8s,10as)-4-(acetyloxy)-1-formyl-3-isopropyl-8,10a-dimethyl-7-methylidene-6h,6ah,8h,9h,10h-benzo[c]isochromen-6-yl acetate
(18s,19r)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶]icosa-2(10),3,8,11(16),12,14-hexaene
8,8-dimethyl-10-[(2-methylpropanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 2-methylbut-2-enoate
5-bromo-14-isopropyl-11-methoxy-4,8-dimethyltetracyclo[10.2.1.0¹,¹⁰.0⁴,⁹]pentadecane-7,8-diol
C21H35BrO3 (414.17694200000005)