Exact Mass: 414.1667372
Exact Mass Matches: 414.1667372
Found 500 metabolites which its exact mass value is equals to given mass value 414.1667372,
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
Neoisostegane
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].
Ptelatoside A
Constituent of bracken fern Pteridium aquilinum. Ptelatoside A is found in green vegetables and root vegetables. Ptelatoside C is found in green vegetables. Ptelatoside C is isolated from Pteridium aquilinum (bracken fern).
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.
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
N-desalkyl delavirdine
N-desalkyl delavirdine is a metabolite of delavirdine. Delavirdine (DLV) (brand name Rescriptor) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) marketed by ViiV Healthcare. It is used as part of highly active antiretroviral therapy (HAART) for the treatment of human immunodeficiency virus (HIV) type 1. It is presented as the mesylate. The recommended dosage is 400 mg, three times a day. Although delavirdine was approved by the U.S. (Wikipedia)
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
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
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-2-yl]methoxy]propanoic acid
11-hydroxy-12-methoxy-19alpha-methyl-2-oxo-(20alpha)-formosanane-16-carboxylic acid methyl ester|O11-demethyl-majdine|Vinerinin|vinerinine
p-Vinylphenyl O-|A-D-apiofuranosyl-(1 inverted exclamation marku6)-|A-D-glucopyranoside
3-(4-acetoxy-3,5-dimethoxy)-phenyl-2E-propenyl-beta-D-glucopyranoside
(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
(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
(-)-(2R)-1-O-beta-D-glucopyranosyl-2-{2-methoxy-4-[(E)-formylvinyl]phenoxyl}propane-3-ol
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
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
benzyl 6-O-[(S)-3-hydroxy-3-methylglutaroyl]-beta-D-glucopyranoside|undatuside A
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
3,6-dimethoxy-1,1-dimethylchromene-[2,3:7,8]-flavone
N-methylhydrasteine hydroxy lactam|N-methylhydrasteine hydroxylactam
(2S)-1-O-p-methoxycinnamoyl-3-O-beta-D-glucopyranosylglycerol|Methylregaloside A
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
Escitalopram oxalate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
[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
2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid
C19H26O10_beta-D-Glucopyranoside, 4-hydroxy-5-methyl-2-(1-methylethyl)phenyl, 6-(2-carboxyacetate)
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 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 Met Gly His
C16H26N6O5S (414.16853060000005)
Ala Met His Gly
C16H26N6O5S (414.16853060000005)
Ala Asn Asn Pro
Ala Asn Pro Asn
Ala Pro Asn Asn
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 Val Gly His
C16H26N6O5S (414.16853060000005)
Cys Val His Gly
C16H26N6O5S (414.16853060000005)
Asp Gly His Ser
Asp Gly Ser His
Asp His Gly Ser
Asp His Ser Gly
Asp Pro Pro Ser
Asp Pro Ser Pro
Asp Ser Gly His
Asp Ser His Gly
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 Asp His Ser
Gly Asp Ser His
Gly His Ala Met
C16H26N6O5S (414.16853060000005)
Gly His Cys Val
C16H26N6O5S (414.16853060000005)
Gly His Asp Ser
Gly His Met Ala
C16H26N6O5S (414.16853060000005)
Gly His Ser Asp
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 Ser Asp His
Gly Ser His Asp
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 Asp Gly Ser
His Asp Ser Gly
His Gly Ala Met
C16H26N6O5S (414.16853060000005)
His Gly Cys Val
C16H26N6O5S (414.16853060000005)
His Gly Asp Ser
His Gly Met Ala
C16H26N6O5S (414.16853060000005)
His Gly Ser Asp
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 Asp Gly
His Ser Gly Asp
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 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)
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 Asn Asn
Pro Asp Pro Ser
Pro Asp Ser Pro
Pro Gly Asn Gln
Pro Gly Gln Asn
Pro Asn Ala Asn
Pro Asn Gly Gln
Pro Asn Asn Ala
Pro Asn Gln Gly
Pro Pro Asp Ser
Pro Pro Ser Asp
Pro Gln Gly Asn
Pro Gln Asn Gly
Pro Ser Asp Pro
Pro Ser Pro Asp
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 Gly His
Ser Asp His Gly
Ser Asp Pro Pro
Ser Gly Asp His
Ser Gly His Asp
Ser His Ala Thr
Ser His Asp Gly
Ser His Gly Asp
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 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)
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].
1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate
1,5-Dideoxy-3-C-({[2-(?-glutamylamino)-5-hydroxybenzyl]oxy}carbonyl)pentitol
ethyl 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
N-Benzyloxycarbonyl-4-[(3R)-3-amino-1-oxo-4-(phenylthio)butyl]morpholine
C22H26N2O4S (414.16131960000007)
(Z)-4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobut-2-enoic acid
C17H26N4O6S (414.15729760000005)
(R)-BENZYL (1-(4-((1H-PYRROLO[2,3-B]PYRIDIN-4-YL)CARBAMOYL)PHENYL)ETHYL)CARBAMATE
(R)-Citalopram oxalate
(R)-Citalopram oxalate is an anticonvulsant, antidepressant and muscle relaxant. (R)-Citalopram oxalate is at least 20-fold weaker than S-citalopram (Escitalopram; HY-14258) as inhibitor of the 5-HT transporter (SERT). (R)-Citalopram oxalate functionally antagonises S-citalopram in vivo and in vitro. (R)-Citalopram oxalate has an effect on the association of Escitalopram with the high affinity primary site, and on its dissociation from the 5-HT transporter, via an allosteric mechanism[1].
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
p-Vinylphenyl O-[beta-D-apiofurasyl-(1-6)]-beta-D-glucopyraside
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
Tinostamustine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
4-(1-Azetidinyl)-7-methyl-5-[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-imidazo[5,1-f][1,2,4]triazine
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
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
5-Fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
quinolin-8-yl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
2-amino-4-(2-ethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
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
10-fluoro-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-[1,3]thiazino[3,2:1,2]pyrimido[5,4-b]indol-6(7H)-one
N-[(2,4-dimethoxyphenyl)-(8-hydroxy-7-quinolinyl)methyl]benzamide
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
methyl (1R,9S,10S,11S)-5-(4-fluorophenyl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
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-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
methyl (1S,9R,10R,11R)-5-(4-fluorophenyl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
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-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
C18H26N2O7S (414.14606460000005)
[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
[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.
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
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(methyl-oxo-λ⁵-azanylidene)amino]methoxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(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-(3,4-dimethoxyphenyl)-7-hydroxy-5-(3-methoxyprop-1-en-1-yl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
(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
(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)
methyl (3s,5r,6r,9s,10r)-6-hydroxy-5-[(1s)-1-hydroxyethyl]-4-methyl-12-oxo-7-oxa-4,14-diazapentacyclo[11.7.0.0³,⁹.0⁵,¹⁰.0¹⁵,²⁰]icosa-1(13),15,17,19-tetraene-9-carboxylate
2-(hydroxymethyl)-6-{4-[3-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenoxy}oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxan-3-yl 2-(3,4-dihydroxyphenyl)acetate
(3s)-5-{[(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
3,4,6,8-tetrahydroxy-1-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(1e,3s)-3-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenoxy}oxane-3,4,5-triol
4-[(1s,3ar,4s,6ar)-4-(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl acetate
1-{16-hydroxy-7-methoxy-14-methyl-9-oxo-2,10-dioxatricyclo[10.4.0.0³,⁸]hexadeca-1(16),3(8),4,6,12,14-hexaen-6-yl}-3-methylbutyl acetate
3,11,22-trimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaene
4-heptyl-6-hydroxy-14-methoxy-12-methyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylic acid
14-deoxyandrographolide-3-o-sulfate
{"Ingredient_id": "HBIN001415","Ingredient_name": "14-deoxyandrographolide-3-o-sulfate","Alias": "NA","Ingredient_formula": "C20H30O7S","Ingredient_Smile": "CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)CO)OS(=O)(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5152","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(4-allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (r*,s*)-form,3,4-methylene,3',5'-di-me ether,ac
{"Ingredient_id": "HBIN004284","Ingredient_name": "2-(4-allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (r*,s*)-form,3,4-methylene,3',5'-di-me ether,ac","Alias": "NA","Ingredient_formula": "C23H26O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9060","PubChem_id": "NA","DrugBank_id": "NA"}
alkaloid us-7
{"Ingredient_id": "HBIN015176","Ingredient_name": "alkaloid us-7","Alias": "NA","Ingredient_formula": "C22H26N2O6","Ingredient_Smile": "CCC(=O)C(CC1C2(CCN1C=O)C3=CC=CC=C3NC2=O)C(=COC)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alkaloid us-8
{"Ingredient_id": "HBIN015177","Ingredient_name": "alkaloid us-8","Alias": "NA","Ingredient_formula": "C22H26N2O6","Ingredient_Smile": "CCC(=O)C(CC1C2(CCN1C=O)C3=CC=CC=C3NC2=O)C(=COC)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "907","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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]ethoxysulfonic acid
2-[(1r,2s,5r,9s,12r,16s)-2-hydroxy-1,5,12-trimethyl-11-oxo-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-en-5-yl]ethoxysulfonic acid
(3r)-6-hydroxy-2'-methoxy-2,4'-dioxo-6'-pentyl-4-propylspiro[1-benzofuran-3,1'-cyclohexane]-2',5'-diene-5-carboxylic acid
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(4-ethenylphenoxy)oxane-3,4,5-triol
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)-5-isopropylphenoxy]oxan-2-yl]methoxy}propanoic acid
(2-isopropyl-6-methoxy-3,5-dimethyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)(methylsulfanyl)methanone
{2-isopropyl-4-methoxy-3,5-dimethyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}(methylsulfanyl)methanone
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}oxan-2-yl]methyl 2-(3,4-dihydroxyphenyl)acetate
4a,8-dimethyl-3-methylidene-9-[(2-methylprop-2-enoyl)oxy]-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl 2-methylprop-2-enoate
(2s)-3-hydroxy-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2e)-3-(4-methoxyphenyl)prop-2-enoate
4-(ethoxymethyl)-5,15-dihydroxy-7,12,16,16-tetramethyl-2,10,17-trioxatetracyclo[9.8.0.0³,⁸.0¹³,¹⁸]nonadeca-1(19),3(8),4,6,11,13(18)-hexaen-9-one
3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(4-methoxyphenyl)prop-2-enoate
8-[(5,6-dihydroxy-2,3,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-6-hydroxy-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-1-one
1,3,6,7-tetrahydroxy-2-(3-hydroxy-3-methylbutyl)-8-(3-methylbut-2-en-1-yl)xanthen-9-one
(1s)-1-{16-hydroxy-7-methoxy-14-methyl-9-oxo-2,10-dioxatricyclo[10.4.0.0³,⁸]hexadeca-1(16),3(8),4,6,12,14-hexaen-6-yl}-3-methylbutyl acetate
(3r,4s)-8-{[(2r,3s)-5,6-dihydroxy-2,3,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl]oxy}-6-hydroxy-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-1-one
(3s)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-3-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(3r,4e)-5-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenoxy}oxane-3,4,5-triol
methyl (1s,9r,16r,17r,18r,21r)-4,17,18-trihydroxy-5-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
6-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydrofuran-2-yl]-4-methoxy-2h-1,3-benzodioxole
1-(2h-1,3-benzodioxol-5-yl)-2-[1,2-dimethoxy-4-oxo-5-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-yl]propyl acetate
(1r,2r)-1-(2h-1,3-benzodioxol-5-yl)-2-[(1r)-1,2-dimethoxy-4-oxo-5-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-yl]propyl acetate
(2s)-2-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2e)-3-(4-methoxyphenyl)prop-2-enoate
(1r,9r,17r,20r)-17-(methoxymethyl)-13,16,16,20-tetramethyl-2,15,18-trioxapentacyclo[8.8.1.1¹,⁹.0³,⁸.0¹⁴,¹⁹]icosa-3,5,7,10,12,14(19)-hexaene-7,9,11-triol
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
methyl (3s,5r,6s,9s,10r)-6-hydroxy-5-[(1r)-1-hydroxyethyl]-4-methyl-12-oxo-7-oxa-4,14-diazapentacyclo[11.7.0.0³,⁹.0⁵,¹⁰.0¹⁵,²⁰]icosa-1(13),15,17,19-tetraene-9-carboxylate
(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-[(1e)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 2,4-dimethoxy-6-methylbenzoate
(11r,12s,13s)-3,11,22-trimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaene
(9r,10r)-8,8-dimethyl-10-[(2-methylpropanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl (2z)-2-methylbut-2-enoate
1-[2'-(hydroxymethyl)-4-methoxy-4'-methyl-3,6'-dioxospiro[1-benzofuran-2,1'-cyclohexane]-2',4'-dien-5-yl]-3-methylbutyl acetate
(1r,2r,4s,5r,6s,9s,10r,11s,13s)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl (2z)-2-methylbut-2-enoate
C20H27ClO7 (414.14452220000004)
(1r,17s,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
(1s,4s,5s,7s,8s,9s,10s,11s,12s,14s)-5-bromo-14-isopropyl-11-methoxy-4,8-dimethyltetracyclo[10.2.1.0¹,¹⁰.0⁴,⁹]pentadecane-7,8-diol
C21H35BrO3 (414.17694200000005)