Exact Mass: 547.2112
Exact Mass Matches: 547.2112
Found 389 metabolites which its exact mass value is equals to given mass value 547.2112
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Colchicoside
Doxazosin mesylate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Doxazosin mesylate (UK 33274) is a quinazoline-derivative that selectively antagonizes postsynaptic α1-adrenergic receptors.
Darunavir
Darunavir is only found in individuals that have used or taken this drug. It is a protease inhibitor used to treat HIV. It acts on the HIV aspartyl protease which the virus needs to cleave the HIV polyprotein into its functional fragments.Darunavir is a HIV protease inhibitor which prevents HIV replication by binding to the enzymes active site, thereby preventing the dimerization and the catalytic activity of the HIV-1 protease. Darunavir selectively inhibits the cleavage of HIV encoded Gag-Pol polyproteins in virus-infected cells, which prevents the formation of mature infectious virus particles. Structual analyses suggests that the close contact that darunavir has with the main chains of the protease active site amino acids (Asp-29 and Asp-30) is an important contributing factor to its potency and wide spectrum of activity against multi-protease inhibitor resistant HIV-1 variants. Darunavir can also adapt to the changing shape of a protease enzyme because of its molecular flexibility. Darunavir is known to bind to two distinct sites on the enzyme: the active site cavity and the surface of one of the flexible flaps in the protease dimer. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Doxorubicin-semiquinone
Doxorubicin-semiquinone is a metabolite of doxorubicin. Doxorubicin is a drug used in cancer chemotherapy. It is an anthracycline antibiotic, closely related to the natural product daunomycin, and like all anthracyclines, it works by intercalating DNA. Doxorubicin is commonly used in the treatment of a wide range of cancers, including hematological malignancies, many types of carcinoma, and soft tissue sarcomas. Doxorubicins most serious adverse effect is life-threatening heart damage. (Wikipedia)
Edoxaban
3-[(2E)-2-[(E)-4-(1,3-Dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
1,4-Lactone,tris-N-benzyloxycarbonyl-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
3-[4-[6-(beta-D-glucopyranosyloxyuronic acid)-1-methyl-1H-benzimidazol-2-ylmethoxy]phenyl]-2-methylthiopropionic amide
methyl (2S)-6-[(beta-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-1-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1H-indole-2-carboxylate|oleracein F
10-beta-glucopyranose-12-glutamyl-1-hydroxylethanyl-beta-carboline-3-carboxylate|tunicoidine A
Darunavir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2179 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3016
Cys Cys His Trp
Cys Cys Trp His
Cys His Cys Trp
Cys His Trp Cys
Cys Trp Cys His
Cys Trp His Cys
Asp Asp Ile Trp
Asp Asp Leu Trp
Asp Asp Trp Ile
Asp Asp Trp Leu
Asp Glu Glu Arg
Asp Glu Arg Glu
Asp Glu Val Trp
Asp Glu Trp Val
Asp His Asn Tyr
Asp His Tyr Asn
Asp Ile Asp Trp
Asp Ile Trp Asp
Asp Leu Asp Trp
Asp Leu Trp Asp
Asp Met Pro Trp
Asp Met Trp Pro
Asp Asn His Tyr
Asp Asn Asn Trp
Asp Asn Trp Asn
Asp Asn Tyr His
Asp Pro Met Trp
Asp Pro Trp Met
Asp Arg Glu Glu
Asp Val Glu Trp
Asp Val Trp Glu
Asp Trp Asp Ile
Asp Trp Asp Leu
Asp Trp Glu Val
Asp Trp Ile Asp
Asp Trp Leu Asp
Asp Trp Met Pro
Asp Trp Asn Asn
Asp Trp Pro Met
Asp Trp Val Glu
Asp Tyr His Asn
Asp Tyr Asn His
Glu Asp Glu Arg
Glu Asp Arg Glu
Glu Asp Val Trp
Glu Asp Trp Val
Glu Glu Asp Arg
Glu Glu Arg Asp
Glu Arg Asp Glu
Glu Arg Glu Asp
Glu Val Asp Trp
Glu Val Trp Asp
Glu Trp Asp Val
Glu Trp Val Asp
Phe His Met Asn
Phe His Asn Met
Phe Met His Asn
Phe Met Asn His
Phe Asn His Met
Phe Asn Met His
His Cys Cys Trp
His Cys Trp Cys
His Asp Asn Tyr
His Asp Tyr Asn
His Phe Met Asn
His Phe Asn Met
His Met Phe Asn
His Met Asn Phe
His Asn Asp Tyr
His Asn Phe Met
His Asn Met Phe
His Asn Tyr Asp
His Gln Thr Tyr
His Gln Tyr Thr
His Thr Gln Tyr
His Thr Tyr Gln
His Trp Cys Cys
His Tyr Asp Asn
His Tyr Asn Asp
His Tyr Gln Thr
His Tyr Thr Gln
Ile Asp Asp Trp
Ile Asp Trp Asp
Ile Trp Asp Asp
Leu Asp Asp Trp
Leu Asp Trp Asp
Leu Trp Asp Asp
Met Asp Pro Trp
Met Asp Trp Pro
Met Phe His Asn
Met Phe Asn His
Met His Phe Asn
Met His Asn Phe
Met Asn Phe His
Met Asn His Phe
Met Asn Gln Arg
Met Asn Arg Gln
Met Pro Asp Trp
Met Pro Trp Asp
Met Gln Asn Arg
Met Gln Arg Asn
Met Arg Asn Gln
Met Arg Gln Asn
Met Trp Asp Pro
Met Trp Pro Asp
Asn Asp His Tyr
Asn Asp Asn Trp
Asn Asp Trp Asn
Asn Asp Tyr His
Asn Phe His Met
Asn Phe Met His
Asn His Asp Tyr
Asn His Phe Met
Asn His Met Phe
Asn His Tyr Asp
Asn Met Phe His
Asn Met His Phe
Asn Met Gln Arg
Asn Met Arg Gln
Asn Asn Asp Trp
Asn Asn Trp Asp
Asn Gln Met Arg
Asn Gln Arg Met
Asn Gln Thr Trp
Asn Gln Trp Thr
Asn Arg Met Gln
Asn Arg Gln Met
Asn Thr Gln Trp
Asn Thr Trp Gln
Asn Trp Asp Asn
Asn Trp Asn Asp
Asn Trp Gln Thr
Asn Trp Thr Gln
Asn Tyr Asp His
Asn Tyr His Asp
Pro Asp Met Trp
Pro Asp Trp Met
Pro Met Asp Trp
Pro Met Trp Asp
Pro Trp Asp Met
Pro Trp Met Asp
Gln His Thr Tyr
Gln His Tyr Thr
Gln Met Asn Arg
Gln Met Arg Asn
Gln Asn Met Arg
Gln Asn Arg Met
Gln Asn Thr Trp
Gln Asn Trp Thr
Gln Gln Ser Trp
Gln Gln Trp Ser
Gln Arg Met Asn
Gln Arg Asn Met
Gln Ser Gln Trp
Gln Ser Trp Gln
Gln Thr His Tyr
Gln Thr Asn Trp
Gln Thr Trp Asn
Gln Thr Tyr His
Gln Trp Asn Thr
Gln Trp Gln Ser
Gln Trp Ser Gln
Gln Trp Thr Asn
Gln Tyr His Thr
Gln Tyr Thr His
Arg Asp Glu Glu
Arg Glu Asp Glu
Arg Glu Glu Asp
Arg Met Asn Gln
Arg Met Gln Asn
Arg Asn Met Gln
Arg Asn Gln Met
Arg Gln Met Asn
Arg Gln Asn Met
Ser Gln Gln Trp
Ser Gln Trp Gln
Ser Trp Gln Gln
Thr His Gln Tyr
Thr His Tyr Gln
Thr Asn Gln Trp
Thr Asn Trp Gln
Thr Gln His Tyr
Thr Gln Asn Trp
Thr Gln Trp Asn
Thr Gln Tyr His
Thr Trp Asn Gln
Thr Trp Gln Asn
Thr Tyr His Gln
Thr Tyr Gln His
Val Asp Glu Trp
Val Asp Trp Glu
Val Glu Asp Trp
Val Glu Trp Asp
Val Trp Asp Glu
Val Trp Glu Asp
Trp Cys Cys His
Trp Cys His Cys
Trp Asp Asp Ile
Trp Asp Asp Leu
Trp Asp Glu Val
Trp Asp Ile Asp
Trp Asp Leu Asp
Trp Asp Met Pro
Trp Asp Asn Asn
Trp Asp Pro Met
Trp Asp Val Glu
Trp Glu Asp Val
Trp Glu Val Asp
Trp His Cys Cys
Trp Ile Asp Asp
Trp Leu Asp Asp
Trp Met Asp Pro
Trp Met Pro Asp
Trp Asn Asp Asn
Trp Asn Asn Asp
Trp Asn Gln Thr
Trp Asn Thr Gln
Trp Pro Asp Met
Trp Pro Met Asp
Trp Gln Asn Thr
Trp Gln Gln Ser
Trp Gln Ser Gln
Trp Gln Thr Asn
Trp Ser Gln Gln
Trp Thr Asn Gln
Trp Thr Gln Asn
Trp Val Asp Glu
Trp Val Glu Asp
Tyr Asp His Asn
Tyr Asp Asn His
Tyr His Asp Asn
Tyr His Asn Asp
Tyr His Gln Thr
Tyr His Thr Gln
Tyr Asn Asp His
Tyr Asn His Asp
Tyr Gln His Thr
Tyr Gln Thr His
Tyr Thr His Gln
Tyr Thr Gln His
CAY10500
(2S,6R)-6-[[(1S)-2-[[(2R)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,tetrahydrate
edoxaban
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AF - Direct factor xa inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173067 - Direct Factor Xa Inhibitor C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C180619 - Direct Oral Anticoagulant D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
PROPANAMIDE, N-[(3S)-1-[(2R)-2-AMINO-3-(4-CHLOROPHENYL)-1-OXOPROPYL]-3-PYRROLIDINYL]-N-(CYCLOHEXYLMETHYL)-2-METHYL-, MONO(TRIFLUOROACETATE)
1-(3,6-bis(ethylaMino)-2,7-diMethyl-3- oxospiro[isoindoline-1,9-xanthene]-2-yl)-3- phenylurea
Bosutinib Monohydrate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
3-[(2E)-2-[(E)-4-(1,3-Dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D003879 - Dermatologic Agents
4-[(2,3-Dimethyl-5-{[(1s)-1-(4-Nitrophenyl)ethyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid
SR1664 is a PPARγ antagonist. SR1664 binds to PPARγ and potently inhibits Cdk5-mediated PPARγ phosphorylation (IC50=80 nM; Ki= 28.67 nM)[1][2].
N(epsilon)-GMP-N(alpha)-acetyl-L-lysine methyl ester
[(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate
N-(5-acetamido-6-methoxy-6-oxohexyl)-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphonamidic acid
2-(2,6-dimethyl-4-morpholinyl)-N-[5-[6-(4-morpholinyl)-4-oxo-2-pyranyl]-9H-thioxanthen-2-yl]acetamide
2-Naphthalenesulfonic acid propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester
N-carbobenzyloxy-glycylglycyl-L-arginine 2-naphthylamide
[4-(Diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)-D-galactitol
[(1R)-1-ethylsulfonyl-7-methoxy-2-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
2-[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine methanesulfonate
3-cyano-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
3-cyano-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-cyano-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-cyano-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-cyano-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-cyano-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(5S,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5S,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
2-cyano-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-cyano-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-cyano-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
(3S,6aS,8R,10aS)-8-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
3-cyano-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-cyano-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-cyano-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
N-[(5S,6R,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
3-cyano-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-cyano-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-cyano-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-cyano-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-cyano-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
4-cyano-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
[(1S)-1-ethylsulfonyl-7-methoxy-2-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-alpha-D-Manp-O[CH2]2NH2
beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp-O[CH2]2NH2
2-O-[4-O-(beta-D-Galactopyranosyl)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-D-mannitol
N-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-yl]acetamide
beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-glucitol
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-[(2S,3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
2-aminoethyl beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-galactopyranoside
N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]oxyoxan-3-yl]acetamide
N-[(2S,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
N-[(2R,3R,4R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-D-GlcNAc-OH
2-amino-3-[[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Goralatide (acetate)
Goralatide, a natural tetrapeptide, is a physiological regulator of hematopoiesis. Goralatide can inhibit primitive haematopoietic cell proliferation[1].
N-Acetyl-Ser-Asp-Lys-Pro (acetate)
N-Acetyl-Ser-Asp-Lys-Pro (Ac-SDKP) acetate is a specific substrate for the N-terminal active site of angiotensin-converting enzyme (ACE). N-Acetyl-Ser-Asp-Lys-Pro acetate is a natural inhibitor of pluripotent hematopoietic stem cell proliferation. Anti-inflammatory and antifibrotic properties[1][2].
(15e)-5,8,18,21-tetrahydroxy-20-[2-(methylsulfanyl)ethyl]-6-(sec-butyl)-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one
5,8,18,21-tetrahydroxy-20-[2-(methylsulfanyl)ethyl]-6-(sec-butyl)-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one
(2s,3s,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2r,3r)-2,3-dihydroxy-3-(3-hydroxy-3-methylbutyl)butanedioate
(2s,3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2r,3r)-2,3-dihydroxy-3-(3-hydroxy-3-methylbutyl)butanedioate
15-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-2,19,19-trimethyl-5,8,18-trioxa-2-azapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3,9,11,14,16,20-heptaen-13-one
(2s,3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2s,3r)-2,3-dihydroxy-3-(3-hydroxy-3-methylbutyl)butanedioate
acrignine a; (±)-form
{"Ingredient_id": "HBIN014609","Ingredient_name": "acrignine a; (±)-form","Alias": "NA","Ingredient_formula": "C30H29NO9","Ingredient_Smile": "NA","Ingredient_weight": "547.55","OB_score": "NA","CAS_id": "149155-25-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7177","PubChem_id": "NA","DrugBank_id": "NA"}