Exact Mass: 528.1785202
Exact Mass Matches: 528.1785202
Found 500 metabolites which its exact mass value is equals to given mass value 528.1785202
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tremulacin
Tremulacin is a glycoside. Tremulacin is a natural product found in Populus tremula, Populus tomentosa, and other organisms with data available.
Mahuannin D
A proanthocyanidin isolated form Ephedra sinica.
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) is a natural human metabolite of 17beta-estradiol 3-sulfate generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) is a natural human metabolite of 17beta-estradiol 3-sulfate generated in the liver by UDP glucuonyltransferase.
Physalin O
Physalin O is a physalin. Physalin O is a natural product found in Alkekengi officinarum var. franchetii, Physalis lagascae, and Physalis minima with data available. Physalin O is found in fruits. Physalin O is a constituent of Physalis alkekengi (winter cherry). Constituent of Physalis alkekengi (winter cherry). Physalin O is found in fruits.
Physalin L
Physalin L is a natural product found in Alkekengi officinarum var. franchetii, Physalis lagascae, and Physalis minima with data available. Physalin L is found in fruits. Physalin L is a constituent of Physalis alkekengi (winter cherry)
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside is found in cereals and cereal products. 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside is a constituent of rice (Oryza sativa) flower anthers. Constituent of rice (Oryza sativa) flower anthers. 16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside is found in cereals and cereal products.
Dutasteride
Dutasteride belongs to a class of drugs called 5-alpha-reductase inhibitors, which block the action of the 5-alpha-reductase enzymes that convert testosterone into dihydrotestosterone (DHT). Finasteride also belongs to this group, but while dutasteride inhibits both isoforms of 5-alpha reductase, finasteride inhibits only one. Even so, a clinical study done by GlaxoSmithKline, the EPICS trial, did not find dutasteride to be more effective than finasteride in treating BPH. [Wikipedia] G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CB - Testosterone-5-alpha reductase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2-((5-Chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide
Methanone, 1,1'-(1,4-piperazinediyl)bis(1-(6-(1H-benzimidazol-2-yl)-2-pyridinyl)-
C308 - Immunotherapeutic Agent
Razaxaban
1H-Cyclohepta(ghi)perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D003879 - Dermatologic Agents
Hypocrellin C
Hypocrellin b is a natural product found in Shiraia bambusicola with data available. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3]. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3].
HypocrellinC
Hypocrellin b is a natural product found in Shiraia bambusicola with data available. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3]. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3].
2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-5,4-[4,6-dihydroxy-1,2-phenyleneoxy(4-hydroxyphenylmethylene)]tetrahydrofuran
Daphnodorin J
Cinnabarone
Glaucin B
[6-acetoxy-4-(4-acetoxy-3-methoxy-phenyl)-3-(acetoxymethyl)-7-methoxy-tetralin-2-yl]methyl acetate
7-oxo-3,8,9-trihydroxystaurosporine trifluoroacetate
Chrysoaphin-sl-1|Chrysoaphin-sl-2|chrysoaphin-Slambda-2
bistratamide G
A homodetic cyclic peptide that consists of L-valine as the amino acid residue. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.
(10S)-C-(5-O-acetyl-3-O-senecioyl)-beta-D-xylopyranosyl-1,8,10-trihydroxy-3-methyl-anthracen-9-one|alvaradoin J
2-methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-beta-D-glucopyranoside|2-Methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-??-D-glucopyranoside
Rutaevin 7-acetate
Rutaevin 7-acetate is a natural product found in Microula sikkimensis with data available.
beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-L-tryptophanyl]glucopyranoside
3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
D-threo-guaiacylglycerol 8-O-beta-D-(6-O-galloyl)glucopyranoside
4-((2,4-dihydroxy-4-(hydroxymethyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin I
(2S)-dihydrotricin 4-O-(erythro-beta-guaiacylglyceryl) ether|(2S)-dihydrotricin 4-O-(threo-beta-guaiacylglyceryl) ether|calquiquelignan A|calquiquelignan B
4-((3-((3,4-dihydroxyphenyl)ethynyl)-4-hydroxy-4-(hydroxymethyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin J
2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-4-(4-hydroxybenzoyl)-5-(2,4-dihydroxyphenyl)tetrahydrofuran
Asp Glu His Glu
Dutasteride
G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CB - Testosterone-5-alpha reductase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
C25H36O12_2,7-Octadienoic acid, 6-hydroxy-2,6-dimethyl-, (1aR,1bS,2S,5aS,6R,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a-hydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E,6S)
[(1aR,1bS,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
(2R,7S,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-11-yl acetate
N2-Aristololactam-II-deoxyguanosine
C26H20N6O7 (528.1393410000001)
[(1aR,1bS,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate_major
[(1aR,1bS,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate_35.8\\%
Ala Glu Phe Tyr
Ala Glu Tyr Phe
Ala Phe Glu Tyr
Ala Phe Tyr Glu
Ala Tyr Glu Phe
Ala Tyr Phe Glu
Cys Asp Glu Tyr
C21H28N4O10S (528.1526068000001)
Cys Asp Tyr Glu
C21H28N4O10S (528.1526068000001)
Cys Glu Asp Tyr
C21H28N4O10S (528.1526068000001)
Cys Glu Phe Met
Cys Glu Met Phe
Cys Glu Tyr Asp
C21H28N4O10S (528.1526068000001)
Cys Phe Glu Met
Cys Phe Met Glu
Cys Phe Pro Tyr
Cys Phe Tyr Pro
Cys His Asn Arg
Cys His Arg Asn
Cys Ile Met Tyr
Cys Ile Tyr Met
Cys Leu Met Tyr
Cys Leu Tyr Met
Cys Met Glu Phe
Cys Met Phe Glu
Cys Met Ile Tyr
Cys Met Leu Tyr
Cys Met Tyr Ile
Cys Met Tyr Leu
Cys Asn His Arg
Cys Asn Arg His
Cys Pro Phe Tyr
Cys Pro Tyr Phe
Cys Arg His Asn
Cys Arg Asn His
Cys Tyr Asp Glu
C21H28N4O10S (528.1526068000001)
Cys Tyr Glu Asp
C21H28N4O10S (528.1526068000001)
Cys Tyr Phe Pro
Cys Tyr Ile Met
Cys Tyr Leu Met
Cys Tyr Met Ile
Cys Tyr Met Leu
Cys Tyr Pro Phe
Asp Cys Glu Tyr
C21H28N4O10S (528.1526068000001)
Asp Cys Tyr Glu
C21H28N4O10S (528.1526068000001)
Asp Glu Cys Tyr
C21H28N4O10S (528.1526068000001)
Asp Glu Glu His
Asp Glu Tyr Cys
C21H28N4O10S (528.1526068000001)
Asp Phe Phe Thr
Asp Phe Thr Phe
Asp His Glu Glu
Asp Met Thr Tyr
Asp Met Tyr Thr
Asp Thr Phe Phe
Asp Thr Met Tyr
Asp Thr Tyr Met
Asp Tyr Cys Glu
C21H28N4O10S (528.1526068000001)
Asp Tyr Glu Cys
C21H28N4O10S (528.1526068000001)
Asp Tyr Met Thr
Asp Tyr Thr Met
Glu Ala Phe Tyr
Glu Ala Tyr Phe
Glu Cys Asp Tyr
C21H28N4O10S (528.1526068000001)
Glu Cys Phe Met
Glu Cys Met Phe
Glu Cys Tyr Asp
C21H28N4O10S (528.1526068000001)
Glu Asp Cys Tyr
C21H28N4O10S (528.1526068000001)
Glu Asp Glu His
Glu Asp His Glu
Glu Asp Tyr Cys
C21H28N4O10S (528.1526068000001)
Glu Glu Asp His
Glu Glu His Asp
Glu Phe Ala Tyr
Glu Phe Cys Met
Glu Phe Phe Ser
Glu Phe Met Cys
Glu Phe Ser Phe
Glu Phe Tyr Ala
Glu His Asp Glu
Glu His Glu Asp
Glu Met Cys Phe
Glu Met Phe Cys
Glu Met Ser Tyr
Glu Met Tyr Ser
Glu Ser Phe Phe
Glu Ser Met Tyr
Glu Ser Tyr Met
Glu Tyr Ala Phe
Glu Tyr Cys Asp
C21H28N4O10S (528.1526068000001)
Glu Tyr Asp Cys
C21H28N4O10S (528.1526068000001)
Glu Tyr Phe Ala
Glu Tyr Met Ser
Glu Tyr Ser Met
Phe Ala Glu Tyr
Phe Ala Tyr Glu
Phe Cys Glu Met
Phe Cys Met Glu
Phe Cys Pro Tyr
Phe Cys Tyr Pro
Phe Asp Phe Thr
Phe Asp Thr Phe
Phe Glu Ala Tyr
Phe Glu Cys Met
Phe Glu Phe Ser
Phe Glu Met Cys
Phe Glu Ser Phe
Phe Glu Tyr Ala
Phe Phe Asp Thr
Phe Phe Glu Ser
Phe Phe Ser Glu
Phe Phe Thr Asp
Phe Met Cys Glu
Phe Met Glu Cys
Phe Met Met Thr
Phe Met Thr Met
Phe Pro Cys Tyr
Phe Pro Tyr Cys
Phe Ser Glu Phe
Phe Ser Phe Glu
Phe Thr Asp Phe
Phe Thr Phe Asp
Phe Thr Met Met
Phe Tyr Ala Glu
Phe Tyr Cys Pro
Phe Tyr Glu Ala
Phe Tyr Pro Cys
His Cys Asn Arg
His Cys Arg Asn
His Asp Glu Glu
His Glu Asp Glu
His Glu Glu Asp
His Met Asn Gln
C20H32N8O7S (528.2114561999999)
His Met Gln Asn
C20H32N8O7S (528.2114561999999)
His Asn Cys Arg
His Asn Met Gln
C20H32N8O7S (528.2114561999999)
His Asn Gln Met
C20H32N8O7S (528.2114561999999)
His Asn Arg Cys
His Gln Met Asn
C20H32N8O7S (528.2114561999999)
His Gln Asn Met
C20H32N8O7S (528.2114561999999)
His Arg Cys Asn
His Arg Asn Cys
Ile Cys Met Tyr
Ile Cys Tyr Met
Ile Met Cys Tyr
Ile Met Tyr Cys
Ile Tyr Cys Met
Ile Tyr Met Cys
Leu Cys Met Tyr
Leu Cys Tyr Met
Leu Met Cys Tyr
Leu Met Tyr Cys
Leu Tyr Cys Met
Leu Tyr Met Cys
Met Cys Glu Phe
Met Cys Phe Glu
Met Cys Ile Tyr
Met Cys Leu Tyr
Met Cys Tyr Ile
Met Cys Tyr Leu
Met Asp Thr Tyr
Met Asp Tyr Thr
Met Glu Cys Phe
Met Glu Phe Cys
Met Glu Ser Tyr
Met Glu Tyr Ser
Met Phe Cys Glu
Met Phe Glu Cys
Met Phe Met Thr
Met Phe Thr Met
Met His Asn Gln
C20H32N8O7S (528.2114561999999)
Met His Gln Asn
C20H32N8O7S (528.2114561999999)
Met Ile Cys Tyr
Met Ile Tyr Cys
Met Leu Cys Tyr
Met Leu Tyr Cys
Met Met Phe Thr
Met Met Thr Phe
Met Asn His Gln
C20H32N8O7S (528.2114561999999)
Met Asn Gln His
C20H32N8O7S (528.2114561999999)
Met Gln His Asn
C20H32N8O7S (528.2114561999999)
Met Gln Asn His
C20H32N8O7S (528.2114561999999)
Met Ser Glu Tyr
Met Ser Tyr Glu
Met Thr Asp Tyr
Met Thr Phe Met
Met Thr Met Phe
Met Thr Tyr Asp
Met Tyr Cys Ile
Met Tyr Cys Leu
Met Tyr Asp Thr
Met Tyr Glu Ser
Met Tyr Ile Cys
Met Tyr Leu Cys
Met Tyr Ser Glu
Met Tyr Thr Asp
Asn Cys His Arg
Asn Cys Arg His
Asn His Cys Arg
Asn His Met Gln
C20H32N8O7S (528.2114561999999)
Asn His Gln Met
C20H32N8O7S (528.2114561999999)
Asn His Arg Cys
Asn Met His Gln
C20H32N8O7S (528.2114561999999)
Asn Met Gln His
C20H32N8O7S (528.2114561999999)
Asn Gln His Met
C20H32N8O7S (528.2114561999999)
Asn Gln Met His
C20H32N8O7S (528.2114561999999)
Asn Arg Cys His
Asn Arg His Cys
Pro Cys Phe Tyr
Pro Cys Tyr Phe
Pro Phe Cys Tyr
Pro Phe Tyr Cys
Pro Ser Tyr Tyr
Pro Tyr Cys Phe
Pro Tyr Phe Cys
Pro Tyr Ser Tyr
Pro Tyr Tyr Ser
Gln His Met Asn
C20H32N8O7S (528.2114561999999)
Gln His Asn Met
C20H32N8O7S (528.2114561999999)
Gln Met His Asn
C20H32N8O7S (528.2114561999999)
Gln Met Asn His
C20H32N8O7S (528.2114561999999)
Gln Asn His Met
C20H32N8O7S (528.2114561999999)
Gln Asn Met His
C20H32N8O7S (528.2114561999999)
Arg Cys His Asn
Ser Glu Phe Phe
Ser Glu Met Tyr
Ser Glu Tyr Met
Ser Phe Glu Phe
Ser Phe Phe Glu
Ser Met Glu Tyr
Ser Met Tyr Glu
Ser Pro Tyr Tyr
Ser Tyr Glu Met
Ser Tyr Met Glu
Ser Tyr Pro Tyr
Ser Tyr Tyr Pro
Thr Asp Phe Phe
Thr Asp Met Tyr
Thr Asp Tyr Met
Thr Phe Asp Phe
Thr Phe Phe Asp
Thr Phe Met Met
Thr Met Asp Tyr
Thr Met Phe Met
Thr Met Met Phe
Thr Met Tyr Asp
Thr Tyr Asp Met
Thr Tyr Met Asp
Tyr Ala Glu Phe
Tyr Ala Phe Glu
Tyr Cys Asp Glu
C21H28N4O10S (528.1526068000001)
Tyr Cys Glu Asp
C21H28N4O10S (528.1526068000001)
Tyr Cys Phe Pro
Tyr Cys Ile Met
Tyr Cys Leu Met
Tyr Cys Met Ile
Tyr Cys Met Leu
Tyr Cys Pro Phe
Tyr Asp Cys Glu
C21H28N4O10S (528.1526068000001)
Tyr Asp Glu Cys
C21H28N4O10S (528.1526068000001)
Tyr Asp Met Thr
Tyr Asp Thr Met
Tyr Glu Ala Phe
Tyr Glu Cys Asp
C21H28N4O10S (528.1526068000001)
Tyr Glu Asp Cys
C21H28N4O10S (528.1526068000001)
Tyr Glu Phe Ala
Tyr Glu Met Ser
Tyr Glu Ser Met
Tyr Phe Ala Glu
Tyr Phe Cys Pro
Tyr Phe Glu Ala
Tyr Phe Pro Cys
Tyr Ile Cys Met
Tyr Ile Met Cys
Tyr Leu Cys Met
Tyr Leu Met Cys
Tyr Met Cys Ile
Tyr Met Cys Leu
Tyr Met Asp Thr
Tyr Met Glu Ser
Tyr Met Ile Cys
Tyr Met Leu Cys
Tyr Met Ser Glu
Tyr Met Thr Asp
Tyr Pro Cys Phe
Tyr Pro Phe Cys
Tyr Pro Ser Tyr
Tyr Pro Tyr Ser
Tyr Ser Glu Met
Tyr Ser Met Glu
Tyr Ser Pro Tyr
Tyr Ser Tyr Pro
Tyr Thr Asp Met
Tyr Thr Met Asp
Tyr Tyr Pro Ser
Tyr Tyr Ser Pro
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)
Physalin L
Constituent of Physalis alkekengi (winter cherry). Physalin L is found in fruits.
Physalin O
16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside
Fmoc-O-tert-Butyl-L-serine 3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl ester
C29H28N4O6 (528.2008748000001)
Sivelestat Sodium
C20H29N2NaO11S (528.1389684000001)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
benzene-1,3-diol,formaldehyde,3-phenylbenzene-1,2-diol,4-phenylbenzene-1,2,3-triol
dexamethasone acefurate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
L-Alanine, N-[(2R)-2-deoxy-2-fluoro-2-methyl-P-phenyl-5-cytidylyl]-,1-methylethyl ester
6-methoxy-3,3-bis(4-methoxyphenyl)benzo[h]indeno[2,1-f]chromen-13(3H)-one
Piperazine, 1-acetyl-4-(2-((4-((6-chloro-1,3-dioxolo(4,5-b)pyridin-7-yl)amino)-5-(1-methylethoxy)-7-quinazolinyl)oxy)ethyl)-
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 D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Celesticetin A
C24H36N2O9S (528.2141406000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides
Razaxaban
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
Nizofenone fumarate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents
3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Rubidomycin
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors
[9-[2-Carboxy-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
7-Oxo-3,8,9-trihydroxy staurosporine
A indolocarbazole alkaloid that is staurosporine substituted by hydroxy groups at positions 3, 8 and 9 and an oxo group at position 7. Isolated from Cystodytes solitus, it exhibits cytotoxic activity.
Alvaradoin J
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Alvaradoin I
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
ent-apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin
3-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
(3R)-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-2-(1-oxopropyl)-N-(2-thiazolyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
alpha-Neup5Gc-(2->6)-D-GalpNAc
An amino disaccharide consisting of an N-glycoloylneuraminyl residue linked alpha(2->6) to an N-acetylglucosamine moiety.
alpha-Neup5Gc-(2->6)-alpha-D-GalpNAc
alpha-Neup5Gc-(2->6)-D-GalpNAc in which the anomeric configuration at the reducing end is alpha.
4-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
2,2,2-trifluoro-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-methylethanesulfonamide
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-methylthiophene-2-sulfonamide
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-methylthiophene-2-sulfonamide
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-methylthiophene-3-sulfonamide
4-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
2,2,2-trifluoro-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-methylethanesulfonamide
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-methylthiophene-2-sulfonamide
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-methylthiophene-3-sulfonamide
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-methylthiophene-3-sulfonamide
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-methylthiophene-2-sulfonamide
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-methylthiophene-3-sulfonamide
3-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2,2,2-trifluoro-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-methylethanesulfonamide
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-methylthiophene-2-sulfonamide
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-methylthiophene-3-sulfonamide
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-methylthiophene-2-sulfonamide
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-methylthiophene-2-sulfonamide
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(1-oxo-2-phenylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
3-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2,2,2-trifluoro-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-methylethanesulfonamide
2,2,2-trifluoro-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-methylethanesulfonamide
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-methylthiophene-2-sulfonamide
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-methylthiophene-3-sulfonamide
17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-D-galacto-hexopyranose
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid
(2R,7S,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0(2),.0(2),(1).0(1),(1).0(1),(2)]docosan-11-yl acetate
(1R,3aS,3bS,5aR,9aR,9bR,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
[2-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] propanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] butanoate
2-(1-(2,4-Dinitrophenylhydrazonomethyl)ethyl)-5-methylcyclopentanecarbaldehyde 2,4-dinitrophenylhydrazone
[(1S,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-11-yl] acetate
[7-(Acetyloxymethyl)-4,5-dihydroxy-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] deca-2,4,6,8-tetraynoate
Estradiol 17beta-glucuronide 3-sulfate
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
CID 10369659
C24H36N2O9S (528.2141406000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides
daunorubicin(1+)
An anthracycline cation that is the conjugate acid of daunorubicin, arising from protonation of the amino group.
LUT014
C27H19F3N8O (528.1633840000001)
LUT014 is a B-Raf inhibitor with an IC50 of 11.7 nM, and developed to reduce dose-limiting acneiform lesions associated EGFR Inhibitors treatment. Extracted from patent WO 2019026065A2 [1].
PSB-603
PSB-603 is a potent and highly selective A2B adenosine receptor antagonist exhibiting a Ki value of 0.553 nM and virtually no affinity for the human and rat A1 and A2A and the human A3 receptors up to a concentration of 10 μM[1].
Relenopride (hydrochloride)
C24H31Cl2FN4O4 (528.1706277999999)
Relenopride (YKP10811) hydrochloride is a specific and selective 5-HT4 receptor agonist (Ki=4.96 nM). Relenopride hydrochloride has 120-fold and 6-fold lower affinity, respectively, for 5-HT2A (Ki=600 nM) and 5-HT2B receptors (Ki=31 nM) than for 5-HT4. Relenopride hydrochloride increases gastrointestinal (GI) motility[1][2].
(3r,4s,5r)-3,4,5-tris[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate
[(2r,3s,4s,5r,6r)-6-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
6-hydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 6-hydroxy-2,6-dimethylocta-2,7-dienoate
(2s)-n-[(1r,2r)-2-methoxy-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-{[2-(2-hydroxybenzoyloxy)ethyl]sulfanyl}oxan-2-yl]propyl]-1-methylpyrrolidine-2-carboximidic acid
C24H36N2O9S (528.2141406000001)