Exact Mass: 366.0456444
Exact Mass Matches: 366.0456444
Found 298 metabolites which its exact mass value is equals to given mass value 366.0456444,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phosphoribosyl formamidocarboxamide
This compound is an intermediate in purine metabolism, where it is the byproduct of phosphoribosylaminoimidazolecarboxamide formyltransferase (EC 2.1.2.3) and IMP cyclohydrolase (EC 3.5.4.10). It is also a byproduct of Ligases (EC 6.3.4.-). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pachyrrhizone
Theasaponin F1
Theasaponin f1, also known as tcm f1, is a member of the class of compounds known as naphthacenes. Naphthacenes are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings. Theasaponin f1 is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Theasaponin f1 can be found in tea, which makes theasaponin f1 a potential biomarker for the consumption of this food product.
Luteolin 7-sulfate
C15H10O9S (366.00455300000004)
Luteolin 7-sulfate is a member of flavones. Luteolin 7-sulfate is a natural product found in Fuchsia perscandens, Fuchsia colensoi, and other organisms with data available. Luteolin 7-sulfate is isolated from Bixa orellana (annatto).
Daphnoretin methyl ether
Daphnoretin methyl ether is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue)
Furocoumarinic acid glucoside
Furocoumarinic acid glucoside is found in fruits. Furocoumarinic acid glucoside is reported from Ficus carica (fig
Luteolin 4'-sulfate
C15H10O9S (366.00455300000004)
Isolated from Daucus carota (carrot). Luteolin 4-sulfate is found in wild carrot, root vegetables, and carrot. Luteolin 4-sulfate is found in carrot. Luteolin 4-sulfate is isolated from Daucus carota (carrot).
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) is considered to be slightly soluble (in water) and acidic
Kaempferol 3-sulfate
C15H10O9S (366.00455300000004)
2-(2-Chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
GKT136901 is a potent, selective and orally active inhibitor of NADPH oxidase (NOX1/4), with Kis of 160 and 165 nM, respectively. GKT136901 is also a selective and direct scavenger of peroxynitrite. GKT136901 can be used for the research of diabetic nephropathy, stroke, and neurodegeneration. GKT136901 also has anti-inflammatory activity[1][2][3].
Fructose citrate
Glucose citrate
Pirinixil
Pomaglumetad methionil
C12H18N2O7S2 (366.05553979999996)
Psoralenoside
2-(3,4-Dicarboxy-3-hydroxybutanoyl)oxypropane-1,2,3-tricarboxylic acid
2-(3,4-Dicarboxy-2-hydroxybutanoyl)oxypropane-1,2,3-tricarboxylic acid
Kaempferol 8-C-sulfate
C15H10O9S (366.00455300000004)
Neofolin
1-(4-fluorophenyl)-2-[(2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}ethyl)sulfanyl]ethan-1-one
C18H16F2O2S2 (366.05597399999994)
(rel. 1R,3S,4S,6R,7S,8S,10S)-4-bromo-3-chloro-7,8-epoxy-1,10-dihydroxy-1,7,11,11-tetramethylspiro<6.6>undecane|(rel. 1R,3S,4S,6R,7S,8S,10S)-4-bromo-3-chloro-7,8-epoxy-1,10-dihydroxy-1,7,11,11-tetramethylspiro[6.6]undecane
C15H24BrClO3 (366.05972440000005)
3,4,5,4,5-Pentahydroxy-2,3-oxy-di-benzoesaeure-dimethylester|3,4,5,4,5-pentahydroxy-2,3-oxy-di-benzoic acid dimethyl ester|dehydrodigallic acid dimethyl ester
C16H14O10 (366.05869440000004)
5,6,7,8,2,3,5-heptahydroxy-4-methoxyflavanone
C16H14O10 (366.05869440000004)
(-)-4beta-(2-hydroxyethylsulfanyl)epicatechin|(-)-epicatechin 4-(2-hydroxyethyl)thio ether|epicatechin 4-(2-hydroxyethylthio)ether
C17H18O7S (366.07731980000005)
2-Hydroxy-3,6-bis(4-hydroxyphenyl)-5-acetoxy-1,4-benzoquinone
5-(2-hydroxyethylthio)-(-)-epicatechin
C17H18O7S (366.07731980000005)
2-(2-hydroxyethylthio)-(-)-epicatecin
C17H18O7S (366.07731980000005)
(3Z,9Z)-13-bromo-7,12-dichloropentadeca-3,9-dien-1-yn-6-ol|Z-adrienyne
rel-(5R,6S,7S,8R)-8-chloro-5,6,7,8-tetrahydro-5,6,7-trihydroxy-2-[2-(4-methoxyphenyl)ethyl]-4H-1-benzopyran-4-one
10-bromo-5,12-dihydroindolo[2,3-g]carbazole-2,3-diol
C18H11BrN2O2 (366.00038459999996)
3,5-dihydroxy-2-methyl-1,4-naphthoquinone 5-O-beta-glucoside|droserone 5-O-beta-glucoside
2-oxo-2H-chromen-7-yl 6-O-acetyl-beta-D-glucopyranoside|7-O-(6-acetoxy-beta-D-glucopyranosyl)coumarin
3-Bromo-4-hydroxy-alpha-(hydroxyimino)-N-[2-(1H-imidazol-4-yl)ethyl]benzenepropanamide
cis-4-Decensaeure-p-bromphenacylester|cis-Dec-4-ensaeure-(4-brom-phenacylester)|decen-(4c)-oic acid-(1)-(4-bromo-phenacyl ester)|Decen-(4c)-saeure-(1)-(4-brom-phenacylester)
C18H23BrO3 (366.08304680000003)
2-(1,3-Benzodioxol-5-yl)-5,6-Dimethoxy-4H-furo[2,3-H]-1-benzopyran-4-one|3,4-methylenodioxy-5,6-dimethoxy-[2,3:7,8]-furanoflavone|methylenedioxy-(3,4)-5,6-dimethoxyfurano-(7,8,2,3)-flavone
Enidin
C17H15ClO7 (366.05062699999996)
Malvidin (chloride) is a bioactive compound isolated from grape. Malvidin shows cytotoxicity through the arrest of the G2/M phase of cell cycle and induction of apoptosis. Malvidin can be used for the research of cancer[1]. Malvidin (chloride) is a bioactive compound isolated from grape. Malvidin shows cytotoxicity through the arrest of the G2/M phase of cell cycle and induction of apoptosis. Malvidin can be used for the research of cancer[1].
dracorhodin
C17H15ClO7 (366.05062699999996)
Dracorhodin perchlorate (Dracohodin perochlorate) is a natural product extracted from a natural medicine Dragon's blood. Dracorhodin perchlorate inhibits cell proliferation and induces cell cycle arrest and apoptosis[1][2]. Dracorhodin perchlorate (Dracohodin perochlorate) is a natural product extracted from a natural medicine Dragon's blood. Dracorhodin perchlorate inhibits cell proliferation and induces cell cycle arrest and apoptosis[1][2].
Psoralenoside
Psoralenoside is a natural product found in Cullen corylifolium with data available. Psoralenoside is a benzofuran glycoside from Psoralea corylifolia[1]. Psoralenoside exhibits high binding affinities against histaminergic H1, calmodulin, and voltage-gated L-type calcium channels (E-value≥-6.5 Kcal/mol)[2]. Psoralenoside?shows estrogen-like activity, osteoblastic proliferation accelerating activity, antitumor effects and antibacterial activity[3]. Psoralenoside is a benzofuran glycoside from Psoralea corylifolia[1]. Psoralenoside exhibits high binding affinities against histaminergic H1, calmodulin, and voltage-gated L-type calcium channels (E-value≥-6.5 Kcal/mol)[2]. Psoralenoside?shows estrogen-like activity, osteoblastic proliferation accelerating activity, antitumor effects and antibacterial activity[3]. Psoralenoside is a benzofuran glycoside from Psoralea corylifolia[1]. Psoralenoside exhibits high binding affinities against histaminergic H1, calmodulin, and voltage-gated L-type calcium channels (E-value≥-6.5 Kcal/mol)[2]. Psoralenoside?shows estrogen-like activity, osteoblastic proliferation accelerating activity, antitumor effects and antibacterial activity[3].
Isopsoralenoside
Isopsoralenoside is a natural product found in Cullen corylifolium with data available. Isopsoralenoside is a benzofuran glycoside from Psoralea corylifolia. Isopsoralenoside can be quickly metabolized to Psoralen (HY-N0053) in digestive tract contents. Isopsoralenoside?show estrogen-like activity, osteoblastic proliferation accelerating activity, antitumor effects and antibacterial activity[1]. Isopsoralenoside is a benzofuran glycoside from Psoralea corylifolia. Isopsoralenoside can be quickly metabolized to Psoralen (HY-N0053) in digestive tract contents. Isopsoralenoside?show estrogen-like activity, osteoblastic proliferation accelerating activity, antitumor effects and antibacterial activity[1].
Rubinaphthin A
Rubinaphthin A is a natural product found in Rubia yunnanensis with data available.
3(2,4-Dichlorophenyl)-4-phenylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.418 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.422
1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
C16H14O10 (366.05869440000004)
C17H18O9_2-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)-5-benzofuranyl]-, (2E)
1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid
fluroxypyr-meptyl
C15H21Cl2FN2O3 (366.09131879999995)
CONFIDENCE standard compound; INTERNAL_ID 1295; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5185; ORIGINAL_PRECURSOR_SCAN_NO 5184 CONFIDENCE standard compound; INTERNAL_ID 1295; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5213; ORIGINAL_PRECURSOR_SCAN_NO 5211 CONFIDENCE standard compound; INTERNAL_ID 1295; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4609; ORIGINAL_PRECURSOR_SCAN_NO 4607 CONFIDENCE standard compound; INTERNAL_ID 1295; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5195 CONFIDENCE standard compound; INTERNAL_ID 1295; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5209; ORIGINAL_PRECURSOR_SCAN_NO 5208 CONFIDENCE standard compound; INTERNAL_ID 1295; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5216; ORIGINAL_PRECURSOR_SCAN_NO 5212
Furocoumarinic acid glucoside
4-(?-D-Glucopyranosyloxy)-1-hydroxy-2-naphthoic acid
2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
C15H12F6N2O2 (366.08029239999996)
Benzenesulfonic acid,4-hydroxy-3-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
C16H11N2NaO5S (366.02863560000003)
TERT-BUTYL 7-BROMOSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
4,4-(Phenylphosphoryl)dibenzoic acid
C20H15O5P (366.06570700000003)
Pirinixil
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
TERT-BUTYL 5-BROMOSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
TCS PIM-1 1
C18H11BrN2O2 (366.00038459999996)
4-[4-(dimethylamino)styryl]-N-methylpyridinium iodide
2-di-1-asp
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
(2R,3R,4S,5R,6S)-2-(ACETOXYMETHYL)-6-CHLOROTETRAHYDRO-2H-PYRAN-3,4,5-TRIYL TRIACETATE
C14H19ClO9 (366.07175540000003)
2-(2-BROMO-5-(TRIFLUOROMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Benzoic acid, 4,4-(1,4-phenylenedi-2,1-ethynediyl)bis-
4-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanamide
Magnesium 1,1,1-trifluoro-2,4-pentanedionate 2-hydrate
[methyl(pyridin-4-yl)carbamothioyl]sulfanyl N-methyl-N-pyridin-4-ylcarbamodithioate
1-Carbobenzoxy-3-MethyliMidazolium TrifluoroMethanesulfonate
C13H13F3N2O5S (366.04972440000006)
4-(4-Chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine
(3S)-3-[4-[(5-Bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-furan
6-BROMO-2-(4-FLUOROBENZYL)-9-HYDROXY-3,4-DIHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-1,8(2H)-DIONE
4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptane-1,3-dione
C13H7F9O2 (366.03023099999996)
Bis(4-chlorobenzyl) azodicarboxylate
C16H12Cl2N2O4 (366.01740920000003)
1,2,3,4,5,6-CYCLOHEXANEHEXACARBOXYLIC ACID MONOHYDRATE
Disodium 5-O-phosphonatothymidine
Thymidine-5'-monophosphate disodium salt is an endogenous metabolite. Thymidine-5'-monophosphate disodium salt is an endogenous metabolite.
Rhodamine 110
C20H15ClN2O3 (366.07711500000005)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
Pifithrin-α hydrobromide
Pifithrin-α hydrobromide is a p53 inhibitor which blocks its transcriptional activity and prevents cells from apoptosis. Pifithrin-α hydrobromide is also an aryl hydrocarbon receptor (AhR) agonist.
6β-[2-(4-hydroxy-phenoxy)-acetylamino]-penicillanic acid
(R)-4-bromo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene
(5aR,6S)-6-methoxy-6-[[(thiophen-2-yl)acetyl]amino]-5a,6-dihydro-3H,7Hazeto[ 2,1-b]furo[3,4-d][1,3]thiazine-1,7(4H)-dione (cefoxitin lactone)
DANSYL-L-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT
2-(4-CHLOROPHENOXY)-N-(4-ISONICOTINOYLPHENYL)ACETAMIDE
C20H15ClN2O3 (366.07711500000005)
(6R-trans)-7-[[(2-Amino-4-thiazolyl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
2,3,4,6-TETRA-O-ACETYL-α-D-GLUCOPYRANOSYL CHLORIDE
C14H19ClO9 (366.07175540000003)
[(2R,3R,4S,5S)-3,4,5-triacetyloxy-6-chloro-2-hydroxy-6-oxohexyl] acetate
C14H19ClO9 (366.07175540000003)
2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl Chloride
C14H19ClO9 (366.07175540000003)
4-[(4-Imidazo[1,2-A]pyridin-3-ylpyrimidin-2-YL)amino]benzenesulfonamide
Pomaglumetad methionil
C12H18N2O7S2 (366.05553979999996)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
1-(4-Chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
C17H19ClN2O3S (366.08048540000004)
N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanamide
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-methyl-2-thiazolyl)acetamide
2-Amino-4-(2,4-Dichlorophenyl)-N-Ethylthieno[2,3-D]pyrimidine-6-Carboxamide
(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
S-(indol-3-ylmethylisothiocyanyl)-L-cysteinylglycine
3,8,10,11,12-Pentahydroxy-1-methyltetracene-2-carboxylic acid
2-[[(2R)-2-amino-3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)propanoyl]amino]acetic acid
1,5,8,9,10-Pentahydroxy-7-(hydroxymethyl)-4,6,11,15-tetraoxatricyclo[7.3.3.05,10]pentadecane-3,12,14-trione
3,4,5,6,10-Pentahydroxy-3-(hydroxymethyl)-2,7,13,14-tetraoxatricyclo[8.3.2.01,6]pentadecane-8,12,15-trione
4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide
5-(3,4-Dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium iodide
6-chloro-N-(3,4-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
C16H15ClN2O4S (366.04410200000007)
3-(2,6-dichlorophenyl)-N-[imino(1-pyrrolidinyl)methyl]-5-methyl-4-isoxazolecarboxamide
C16H16Cl2N4O2 (366.06502559999996)
1-(3-Amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-2-(4-chlorophenyl)ethanone
2-[[2-(4-Morpholinyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester
6-(2,3-Dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
2-chloro-N-(2-{(2E)-2-[(5-nitrothien-2-yl)methylene]hydrazino}-2-oxoethyl)benzamide
C14H11ClN4O4S (366.01895160000004)
1-[2-[(3-Chloro-4-methoxyphenyl)methylthio]ethyl]-3-phenylthiourea
C17H19ClN2OS2 (366.06272739999997)
1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
C17H19ClN2O3S (366.08048540000004)
1-[3-(Dimethylsulfamoyl)phenyl]-3-[(5-methyl-2-furyl)methyleneamino]thiourea
4-(Dimethylsulfamoyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
N-[(2-chlorophenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide
N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
N-[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]-2-hydroxybenzamide
C20H15ClN2O3 (366.07711500000005)
2-chloro-N-[3-(2-thiazolo[5,4-b]pyridinyl)phenyl]-3-pyridinecarboxamide
N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-methyl-2-thiophenecarboxamide
5-(2-Benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
(E)-Adrienyne, [rel(threo)]-
A natural product found in Laurencia marilzae.
Phosphoric acid (1,1-dioxo-2,3-dihydrothiophen-3-yl) diphenyl ester
C16H15O6PS (366.03269400000005)
[6-hydroxy-3-[(Z)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] hydrogen sulate
3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-6-methoxychromen-4-one
[4-(7-Hydroxy-8-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate
1,1,3,3-Tetramethyl-1,3-bis(trimethylsilyl)digermoxane
C10H30Ge2OSi2 (366.02766899999995)
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
C16H14O10 (366.05869440000004)
FAICAR
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tetracenomycin F1
A tetracenomycin that is 1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12.
OSS_128167
OSS_128167 is a potent selective sirtuin 6 (SIRT6) inhibitor with IC50s of 89 μM, 1578 μM and 751 μM for SIRT6, SIRT1 and SIRT2, respectively. OSS_128167 has anti-HBV activity that inhibits HBV transcription and replication. OSS_128167 has anti-cancer, anti-inflammation and anti-viral effects[1][2].
SIRT6-IN-2
SIRT6-IN-2 (Compound 5) is a selective SIRT6 inhibitor (IC50: 34 μM). SIRT6-IN-2 increases acetylation of H3K9 and increases glucose uptake in cultured cells. SIRT6-IN-2 also reduces T cell proliferation. SIRT6-IN-2 has immunosuppressive and chemosensitizing effects[1].
(4r,6r,8r,11e)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),11,15,17-tetraene-2,13-dione
(4r,6s,8s,11e)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),11,15,17-tetraene-2,13-dione
5-bromo-3-(5-hydroxy-2-imino-1,3-dimethylimidazolidin-4-yl)-1h-indole-2-carboxylic acid
16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
7,15-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6,8,10(24),16(23),17,19-hexaen-5-one
8-hydroxy-2-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-1,4-dione
(11e)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-9,11,16,18-tetraene-2,13-dione
3-hydroxy-2-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-1,4-dione
2-{3,4-dihydroxy-2-[(2-hydroxyethyl)sulfanyl]phenyl}-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
C17H18O7S (366.07731980000005)
2,5,8,10'-tetrahydroxy-2,3-dihydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
(1ar,2s,7r,7ar)-7,7a-dihydro-1ah-2',4'-dioxaspiro[naphtho[2,3-b]oxirene-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-3,6,7,10'-tetrol
5-bromo-3-[(4s,5r)-5-hydroxy-2-imino-1,3-dimethylimidazolidin-4-yl]-1h-indole-2-carboxylic acid
(4s,6r,8r,11e)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),11,15,17-tetraene-2,13-dione
(1r,3r,5r,6s,7s,8s)-6,8-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9,9',11'-hexaen-11-one
(2s)-5,6,7,8-tetrahydroxy-2-(2,3,5-trihydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
C16H14O10 (366.05869440000004)
6-(4-bromo-3,3-dimethylcyclohexyl)-3-chloro-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-ol
C15H24BrClO3 (366.05972440000005)
(3r,5z,9z)-13-chloro-7,14,16-trihydroxy-3-methyl-4,7,8,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
(1r,4r,6r,8r,9z,11e,15s)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-9,11,16,18-tetraene-2,13-dione
1-(4-bromo-3,3-dimethylcyclohexyl)-5-chloro-2-oxabicyclo[2.2.2]octane-4,6-diol
C15H24BrClO3 (366.05972440000005)
14-(acetyloxy)-3-methyl-9-oxo-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl acetate
(7ar,8ar,8bs,8cr,9s)-1,6,8c,9-tetrahydroxy-7ah,8ah,8bh,9h,10h-peryleno[1,2-b]oxirene-7,11-dione
{3,4,5-trihydroxy-6-[(2-oxochromen-7-yl)oxy]oxan-2-yl}methyl acetate
4-bromo-2-{pyrido[3,4-b]indol-2-yl}benzoic acid
C18H11BrN2O2 (366.00038459999996)
(3s)-3-[(1s,3s,4s)-3-bromo-4-chloro-4-methylcyclohexyl]-4-[(2r)-3,3-dimethyloxiran-2-yl]-3-hydroxybutan-2-one
C15H24BrClO3 (366.05972440000005)
3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanamide
3-(3-bromo-4-chloro-4-methylcyclohexyl)-4-(3,3-dimethyloxiran-2-yl)-3-hydroxybutan-2-one
C15H24BrClO3 (366.05972440000005)
3-hydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-1,4-dione
5-(4-bromo-3,3-dimethylcyclohexyl)-5-chloro-2-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-ol
C15H24BrClO3 (366.05972440000005)
(1r,3ar,4s,9br)-7-bromo-4,6-dihydroxy-1-isopropyl-3a,8-dimethyl-1h,2h,3h,4h,9bh-cyclopenta[a]naphthalen-5-one
C18H23BrO3 (366.08304680000003)
2-hydroxy-16,18-dimethoxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione
(1s,11r,20r)-6,20-dihydroxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13,15,17(22)-hexaene-8,18-dione
2-{3,4-dihydroxy-5-[(2-hydroxyethyl)sulfanyl]phenyl}-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
C17H18O7S (366.07731980000005)
2-(2h-1,3-benzodioxol-5-yl)-5,6-dimethoxyfuro[2,3-h]chromen-4-one
(1s,2r)-2,5,8,10'-tetrahydroxy-2,3-dihydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
2-(4-bromophenyl)-2-oxoethyl (4z)-dec-4-enoate
C18H23BrO3 (366.08304680000003)
8-hydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-1,4-dione
(1r,2s,12ar,12bs)-1,2,4,9,12a-pentahydroxy-2,12b-dihydro-1h-perylene-3,10-dione
7,7a-dihydro-1ah-2',4'-dioxaspiro[naphtho[2,3-b]oxirene-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-3,6,7,10'-tetrol
3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,13,16(23),17,19-heptaene-5,7,15-triol
5'-bromo-4'-chloro-1,3,3,4'-tetramethyl-7-oxaspiro[bicyclo[4.1.0]heptane-2,1'-cyclohexane]-2',4-diol
C15H24BrClO3 (366.05972440000005)
13-chloro-5,14,16-trihydroxy-3-methyl-4,5,10,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
(3s,5e,9e)-13-chloro-7,14,16-trihydroxy-3-methyl-4,7,8,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
9-(2h-1,3-benzodioxol-5-yl)-4,7-dihydroxy-6-methoxy-3h-naphtho[2,3-c]furan-1-one
(2z)-3-(6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
(2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid
n-{5-carbamoyl-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}carboximidic acid
(1s,2r,4s,12r,15s)-7,15-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6,8,10(24),16(23),17,19-hexaen-5-one
(2z)-3-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
11-hydroxy-3,8-dimethoxy-1-methyl-5-oxatetracene-7,10,12-trione
(2r,3r)-2-{3,4-dihydroxy-5-[(2-hydroxyethyl)sulfanyl]phenyl}-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
C17H18O7S (366.07731980000005)
1-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acid
(3r,5e,7s,9e)-13-chloro-7,14,16-trihydroxy-3-methyl-4,7,8,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
2-(4-bromophenyl)-2-oxoethyl dec-4-enoate
C18H23BrO3 (366.08304680000003)
[4,5-dihydroxy-7-(hydroxymethyl)-9,10-dioxoanthracen-2-yl]oxidanesulfonic acid
C15H10O9S (366.00455300000004)
7-bromo-4,6-dihydroxy-1-isopropyl-3a,8-dimethyl-1h,2h,3h,4h,9bh-cyclopenta[a]naphthalen-5-one
C18H23BrO3 (366.08304680000003)
methyl 2-[2,3-dihydroxy-5-(methoxycarbonyl)phenoxy]-3,4,5-trihydroxybenzoate
C16H14O10 (366.05869440000004)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-oxochromen-7-yl)oxy]oxan-2-yl]methyl acetate
methyl 2-(3-chloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate
C17H15ClO7 (366.05062699999996)
(2e)-3-(6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
methyl 4-chloro-2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate
C17H15ClO7 (366.05062699999996)
6,8-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9,9',11'-hexaen-11-one
(6s,8s)-6,8-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9,9',11'-hexaen-11-one
2-amino-n-[3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-2-benzopyran-4-yl]propanimidic acid
1-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acid
(2r,3r)-2-{3,4-dihydroxy-2-[(2-hydroxyethyl)sulfanyl]phenyl}-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
C17H18O7S (366.07731980000005)
(3r,5r,6e,8z)-13-chloro-5,14,16-trihydroxy-3-methyl-4,5,10,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl acetate
(2s)-n-[(3s,4r,4ar,6s)-3-(dichloromethyl)-1,6-dihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4h-2-benzopyran-4-yl]-2-aminopropanimidic acid
16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),11,15,17-tetraene-2,13-dione
(3r,5r,6s,8s)-6,8-dihydroxy-2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9,9',11'-hexaen-11-one
13-chloro-7,14,16-trihydroxy-3-methyl-4,7,8,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
1,6,8c,9-tetrahydroxy-7ah,8ah,8bh,9h,10h-peryleno[1,2-b]oxirene-7,11-dione
6,20-dihydroxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13,15,17(22)-hexaene-8,18-dione
(1s,2r,4r,5r,12r,15s)-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,13,16(23),17,19-heptaene-5,7,15-triol
5,6,7,8-tetrahydroxy-2-(2,3,5-trihydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
C16H14O10 (366.05869440000004)
(1s,2s,2's,4s,4'r,5'r,6r)-5'-bromo-4'-chloro-1,3,3,4'-tetramethyl-7-oxaspiro[bicyclo[4.1.0]heptane-2,1'-cyclohexane]-2',4-diol
C15H24BrClO3 (366.05972440000005)