Exact Mass: 250.10051719999998
Exact Mass Matches: 250.10051719999998
Found 500 metabolites which its exact mass value is equals to given mass value 250.10051719999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
flidersiachromone
2-(2-phenylethyl)chromone is a member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. It has a role as a plant metabolite. It is a member of chromones and a member of benzenes. It is functionally related to a chromone. 2-(2-Phenylethyl)chromone is a natural product found in Aquilaria sinensis, Aquilaria malaccensis, and Imperata cylindrica with data available. A member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. 2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1]. 2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1].
Citrinin
Citrinin is a mycotoxin originally isolated from Penicillium citrinum. It has since been found to be produced by a variety of other fungi which are found or used in the production of human foods, such as grain, cheese, sake and red pigments. Citrinin has also been found in commercial red yeast rice supplements, and also in Aspergillus niveus and Aspergillus terreus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
METHAQUALONE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Arborine
Arborine is a member of quinazolines. Arborine is a natural product found in Glycosmis pentaphylla with data available. Arborine is found in herbs and spices. Arborine is a major alkaloid from Ruta graveolens (rue Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1]. Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1]. Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1].
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile
Olprinone
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Methaqualone
Methaqualone, also known as optimil or ortonal, belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Methaqualone is a drug which is used for the treatment of insomnia, and as a sedative and muscle relaxant. Methaqualone exists as a solid and is considered to be practically insoluble (in water) and relatively neutral. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Pterosin H
C15H19ClO (250.11243539999998)
Isolated from Pteridium aquilinum (bracken fern). Pterosin H is found in green vegetables and root vegetables. Pterosin H is found in green vegetables. Pterosin H is isolated from Pteridium aquilinum (bracken fern).
Threonylmethionine
Threonylmethionine is a dipeptide composed of threonine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methionyl-Threonine
Methionyl-Threonine is a dipeptide composed of methionine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Samin
Samin is found in fats and oils. Samin is isolated from sesame seed oil (Sesamum sp.) Samin [ samin] is a village in the administrative district of Gmina Bartniczka, within Brodnica County, Kuyavian-Pomeranian Voivodeship, in north-central Poland. Isolated from sesame seed oil (Sesamum species)
N-Acetylkynurenine
N-Acetylkynurenine (CAS: 2044-53-3) belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. N-Acetylkynurenine has been identified in urine (PMID: 6051633).
2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
C11H14N4OS (250.08882739999999)
Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-
8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Dechlorodiazepam
Dechlorodiazepam, also known as bda 250, is a member of the class of compounds known as 1,4-benzodiazepines. 1,4-benzodiazepines are organic compounds containing a benzene ring fused to a 1,4-azepine. Dechlorodiazepam is practically insoluble (in water) and a strong basic compound (based on its pKa). Dechlorodiazepam can be found in common wheat, which makes dechlorodiazepam a potential biomarker for the consumption of this food product.
dehydroeffusol
5-Ethenyl-1-methylphenanthrene-2,7-diol is a natural product found in Juncus setchuensis, Juncus effusus, and Juncus acutus with data available. Dehydroeffusol is a phenanthrene from medicinal herb Juncus effuses. Dehydroeffusol inhibits gastric cancer cell growth and tumorigenicity by selectively inducing tumor-suppressive endoplasmic reticulum stress and a moderate apoptosis. It shows very low toxicity[1][2]. Dehydroeffusol is a phenanthrene from medicinal herb Juncus effuses. Dehydroeffusol inhibits gastric cancer cell growth and tumorigenicity by selectively inducing tumor-suppressive endoplasmic reticulum stress and a moderate apoptosis. It shows very low toxicity[1][2].
4,6-dihydroxy-3-methylidene-10-prop-1-enyl-2-oxaspiro[4.5]dec-8-ene-1,7-dione
Ethyl 4-(diethoxyphosphoryl)-2-butenoate
C10H19O5P (250.09700539999997)
[5-methoxy-1-(4-methoxy-6-methyl-pyrimidin-2-yl)-1H-pyrazol-3-yl]-methanol
1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-
(E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-propenal|4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde|4-Acetoxy-3,5-dimethoxy-trans-zimtaldehyd
2-(3,5-Dihydroxy-6-acetyl-2,3-dihydrobenzofuran-3-yl)allyl alcohol
5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione
Di-Me ester-3-(4-Hydroxyphenyl)-2-pentenediolic acid
(E)-2-(4-hydroxyphenyl)-5-(1-propenyl)benzofuran|2-(4-hydroxyphenyl)-5-((E)-prop-2-en-1-yl)benzofuran|2-(4-Hydroxyphenyl)-5-(1-propenyl)-benzofuran|2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one
5-hydroxymethyl-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid
4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3H-furo[3,4-c]furan-1-one
globosumone A
A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3E)-1-hydroxypent-3-en-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.
3-acetyl-2-methyl-1,4,5-trihydroxy-2,5-epoxynaphthoquinol
8-hydroxy-7-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|isoarmenin
(E)-6-(2,4-dihydroxyl-5-methylphenyl)-6-oxo-2-hexenoic acid
3,4-dihydro-6,8-dimethoxy-4-hydroxy-4-methyl-3-methyleneisochromen-1-one
2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
(Z)-4,4-dihydroxy-1,5-diphenylpent-3-en-1-yne|lawsochylin A
7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one|monaspurpurone
4-methoxy-2-(5-methoxy-3-methyl-pyrazol-1-yl)-6-methyl-pyrimidin-5-ol
5-methoxy-1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-1H-pyrazol-4-ol
(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(2S)-7-Hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl) chromone|(2S)-7-hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl)chromone
Citrinin
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 11 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
3,6-Dimethylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.386 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.383
Citrinin_120248
Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
8-hydroxy-3-(2-hydroxypropyl)-6-methoxychromen-2-one
2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one
C17H14O2_2(5H)-Furanone, 4-phenyl-3-(phenylmethyl)
2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one [IIN-based: Match]
Met-THR
A dipeptide formed from L-methionine and L-threonine residues.
THR-Met
A dipeptide formed from L-threonine and L-methionine residues.
Pterosin H
C15H19ClO (250.11243539999998)
8,13-dihydroxy-1-methyl-9-methylene-2-oxo-1,2,5b,6,7,8,9,10,11,11a-decahydro-4H-1,4:8,10a-dimethanoazuleno[1,2-d]oxepine-11-carboxylic acid
4-(3-PHENYL-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZALDEHYDE
4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
5-(1-Chloro-2-methylpropan-2-yl)-3-(p-tolyl)-1,2,4-oxadiazole
C13H15ClN2O (250.08728499999998)
1-(2-AMINO-1-M-TOLYL-ETHYL)-PYRROLIDINE-3-CARBOXYLICACID
4-Benzyloxyphenylhydrazine hydrochloride
C13H15ClN2O (250.08728499999998)
propan-2-yl 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
tert-butyl 3-(methanesulfonamido)azetidine-1-carboxylate
Acetic acid,2-(9H-fluoren-9-ylidene)-, ethyl ester
ethyl 2-(3-nitro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetate
POLY(EPICHLOROHYDRIN-CO-ETHYLENE OXIDE-CO-ALLYL GLYCIDYL ETHER)
C11H19ClO4 (250.09718039999998)
2-NITRO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE
C13H16BFO3 (250.11764680000002)
2-Methylthiophenylboronic acid pinacol ester
C13H19BO2S (250.11987440000001)
4 4 5 5-TETRAMETHYL-2-PHENYLSULFANYLMET&
C13H19BO2S (250.11987440000001)
N1-BENZYL-N1-METHYLPROPANE-1,3-DIAMINE DIHYDROCHLORIDE
4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
8,9-DIHYDRO-3-PHENYL-1,2,5-OXADIAZOLO[3,4-F]CINNOLINE
N-2-Naphthylalaninamide hydrochloride (1:1)
C13H15ClN2O (250.08728499999998)
1-METHYL-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE
2-chloro-3-methyl-4-piperidin-4-yloxybenzonitrile
C13H15ClN2O (250.08728499999998)
2-(1-METHYL-1H-BENZIMIDAZOL-2-YL)-1-PHENYLETHANONE
N-t-BOC-4,4-Difluoro-L-prolinamide
C10H16F2N2O3 (250.11289299999999)
1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole
C13H15ClN2O (250.08728499999998)
N-Ethyl-4-(dimethylamino)benzylamine Dihydrochloride
TERT-BUTYL 6-FLUORO-3-METHYL-1H-INDAZOLE-1-CARBOXYLATE
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C13H16BFO3 (250.11764680000002)
(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
C14H15FO3 (250.10051719999998)
methyl 1-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylate
C14H15FO3 (250.10051719999998)
3-isobutyl-6-methyl-4-oxo-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylic acid
Methyl (7-nitro-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate
(2-BENZO[1,3]DIOXOL-5-YL-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
C13H15ClN2O (250.08728499999998)
4-(4-Methylphenoxy)phenylhydrazine hydrochloride
C13H15ClN2O (250.08728499999998)
[4-(2-Aminoethyl)benzyl]dimethylamine dihydrochloride
2-N-(4-methoxyphenyl)benzene-1,2-diamine,hydrochloride
C13H15ClN2O (250.08728499999998)
1-(4-METHYLBENZYL)-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
4-Methylthiophenylboronic acid, pinacol ester
C13H19BO2S (250.11987440000001)
1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
C13H15ClN2O (250.08728499999998)
(3-(BENZYLOXY)PHENYL)HYDRAZINE HYDROCHLORIDE
C13H15ClN2O (250.08728499999998)
methyl 1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylate
C14H15FO3 (250.10051719999998)
1-(1-PHENYL-ETHYL)-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE
2-(3-(METHOXYCARBONYL)-5,6-DIHYDRO-1,7-NAPHTHYRIDIN-7(8H)-YL)ACETICACID
3-[4-(TERT-BUTYL)PHENYL]-5-(CHLOROMETHYL)-1,2,4-OXADIAZOLE
C13H15ClN2O (250.08728499999998)
5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarbonyl chloride
C15H19ClO (250.11243539999998)
(2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methanol
C15H19ClO (250.11243539999998)
2-fluoro-4-formylphenylboronic acidpinacol ester
C13H16BFO3 (250.11764680000002)
4-Fluoro-2-formylbenzeneboronic acid pinacol ester
C13H16BFO3 (250.11764680000002)
1-(Propyltrimethoxyl)-3-methylimidazolium chloride
(4-(3-(2-Acetylhydrazinyl)-3-oxopropyl)phenyl)boronic acid
CIS-2-(3-FLUOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
C14H15FO3 (250.10051719999998)
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole
C13H15ClN2O (250.08728499999998)
1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
4-Fluoro-3-formylbenzeneboronic acid pinacol ester
C13H16BFO3 (250.11764680000002)
triethyl 4-phosphonocrotonatedisc 6/01
C10H19O5P (250.09700539999997)
6-chloro-2,3,4,4a,9,9a-hexahydro-1h-carbazole-1-carboxamide
C13H15ClN2O (250.08728499999998)
4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
4-((4-METHOXYBENZYL)OXY)-2-METHYLENE-4-OXOBUTANOIC ACID
4-(2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl)benzoic acid
3-AMINO-1-METHYL-5-PHENYL-1H-AZEPIN-2(3H)-ONE HYDROCHLORIDE
C13H15ClN2O (250.08728499999998)
(3-benzyloxy-phenyl)-hydrazine hydrochloride
C13H15ClN2O (250.08728499999998)
1H,3H-Furo[3,4-c]furan-1-ol, 4-(1,3-benzodioxol-5-yl)tetrahydro-
7-Methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
(3S,4R)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
3-([1,2,4]Triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
2-(3,4-dimethyl-6-oxo-2H-pyrano[2,3-c]pyrazol-5-yl)acetic acid ethyl ester
m-(n,n,n-Trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene
C11H15F3NO2+ (250.10548260000002)
61828-53-3
2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1]. 2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1].
1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethenyl-methoxyphosphinic acid
C9H19N2O4P (250.10823839999998)
2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
C11H14N4OS (250.08882739999999)
(r)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one
A natural product found in Leptosphaeria species and Halorosellinia oceanica.
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
A natural product found in Leptosphaeria species and Halorosellinia oceanica.
(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione
1-[4-(2-Chlorophenoxy)butyl]imidazole
C13H15ClN2O (250.08728499999998)
(4-Methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione
2-Amino-1-methyl-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene
N,N-dihydroxypentahomomethioninate
Conjugate base of N,N-dihydroxypentahomomethionine.
3-aminopropyl beta-D-galactopyranosiduronate
C9H16NO7- (250.09267260000001)
Cyclohexyl trimethylsilyl methylphosphonate
C10H23O3PSi (250.11540179999997)
2-(2-(2-Oxo-2-(trimethylsilyloxy)ethoxy)ethoxy)acetic acid
C9H18O6Si (250.08726080000002)
4-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-3-oxo-2-butenic acid
2-(Trimethylsilylthio)propionic acid trimethylsilyl ester
salicifoliol
A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one carrying a 4-hydroxy-3-methoxyphenyl substituent at position 4.
azanigerone E
An azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and hydroxy substituents at position 7.
7-Deaza-2',3'-dideoxyguanosine
7-Deaza-2',3'-dideoxyguanosine (7-Deaza-ddG) is a 2′,3′-dideoxynucleoside 5′-triphosphate, which can inhibit HIV-1 reverse transcriptase with a Ki of 25 nM[1].
AA38-3
AA38-3 is a serine hydrolase (SH) inhibitor. AA38-3 can inhibit three SHs, ABHD6, ABHD11, and FAAH[1].
SIRT1-IN-2
C13H15ClN2O (250.08728499999998)
SIRT1-IN-2 (compound 3h) is a potent and selective SIRT1 (silent information regulator 1) inhibitor, with an IC50 of 1.6 μM[1].
6,8-dihydroxy-3-[(2s)-2-hydroxypropyl]-7-methylisochromen-1-one
5-hydroxy-7-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid
(4s)-8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one
(1s,4s,6s,8s,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
2,6-dimethoxy-4-[(1e)-3-oxoprop-1-en-1-yl]phenyl acetate
(3s,5s,6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
methyl (2s)-2-(carbamoylformamido)-3-phenylpropanoate
6-(1-hydroxypropyl)-1,3-dimethylpteridine-2,4-dione
(2r,3s)-7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one
(1r,4r,6s,8r,10s,11z,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-3-hydroxy-2,5,7-trimethyl-2,3-dihydroinden-1-one
(2s,4z)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
1-{2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}propan-1-one
(2z)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]prop-2-enoic acid
(3,3-dimethyloxiran-2-yl)methyl 2h-1,3-benzodioxole-5-carboxylate
(1e,3s,4s,5e)-1-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-1,5-diene-3,4-diol
(7s,8s)-7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
2-hydroxy-3-methoxy-4-methyl-5-(3-methylbut-2-en-1-yl)benzoic acid
4-hydroxy-9,13-dimethyl-6,14-dioxatetracyclo[8.4.0.0¹,¹³.0³,⁷]tetradec-3-en-5-one
[(2r)-2-(2-hydroxy-4-methylphenyl)oxiran-2-yl]methyl 2-methylpropanoate
(3ar,5r,6s,6ar)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
(6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
methyl 3-[(3r)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate
6-hydroxy-3-[(2s)-2-hydroxypropyl]-8-methoxychromen-2-one
8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
(2s,4z,7s,8s)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
2,3-dimethoxy-6-(2-methylprop-1-en-1-yl)phenyl acetate
2,7-diethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one
7,8-dihydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
(1r,2s,3r,5s)-3-(6-hydroxypurin-9-yl)-5-methylcyclopentane-1,2-diol
2,7-dihydroxy-1-methyl-5-vinylphenanthrene
{"Ingredient_id": "HBIN005007","Ingredient_name": "2,7-dihydroxy-1-methyl-5-vinylphenanthrene","Alias": "NA","Ingredient_formula": "C17H14O2","Ingredient_Smile": "CC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6045","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,3S)- pterosin Q
{"Ingredient_id": "HBIN006502","Ingredient_name": "(2R,3S)- pterosin Q","Alias": "NA","Ingredient_formula": "C14H18O4","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)C(CO)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,3S)- pterosin S
{"Ingredient_id": "HBIN006503","Ingredient_name": "(2R,3S)- pterosin S","Alias": "NA","Ingredient_formula": "C14H18O4","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCO)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41786","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone
{"Ingredient_id": "HBIN006790","Ingredient_name": "(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "CC(CC1=CC(=O)C2=C(O1)C=C(C=C2CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5s,6r,7r,8r)-goniotriol
{"Ingredient_id": "HBIN011935","Ingredient_name": "(5s,6r,7r,8r)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "125950","DrugBank_id": "NA"}
(5s,6r,7s,8s)-goniotriol
{"Ingredient_id": "HBIN011941","Ingredient_name": "(5s,6r,7s,8s)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "26496963","DrugBank_id": "NA"}
(3r,4r,5r,6s)-2-(4-ethenylphenyl)-6-methyloxane-3,4,5-triol
(3s,4s)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
4-hydroxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(3z,5z)-8-chloro-2-ethyl-9-[(2e)-pent-2-en-4-yn-1-yl]-2,7,8,9-tetrahydrooxonine
C15H19ClO (250.11243539999998)
5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one
(2r,3r,3as,7s,7as)-3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one
(2r,4z,7r,8r)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
2,3-dihydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3h-inden-1-one
4,6-dihydroxy-3-methylidene-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,7-dione
3-chloro-2-(pent-2-en-4-yn-1-yl)-8-(prop-1-en-1-yl)-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(2s)-2-hydroxy-2-[5-(methylsulfanyl)pentyl]butanedioic acid
(3as,9r,9as)-5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one
(3s,4r)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid
7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
8-hydroxy-3-[(2s)-2-hydroxypropyl]-6-methoxychromen-2-one
6-hydroxy-3-(2-hydroxypropyl)-8-methoxychromen-2-one
(2r,3r,4z,8r)-3-chloro-2-[(2e)-pent-2-en-4-yn-1-yl]-8-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
1-[3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone
(1r,4r,6r,8r,10r,11e,14r)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(5s,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-5-hydroxy-5,6-dihydropyran-2-one
4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione
(2s,4z,7s,8s)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
6-hydroxy-2-methyl-5-(5-oxofuran-2-ylidene)hex-3-yn-1-yl acetate
2-hydroxy-5-methoxy-5-(4-methoxyphenyl)-3-methylimidazol-4-one
methyl (2s)-2-[(1r)-1-hydroxy-2-phenylethyl]-4-oxooxetane-2-carboxylate
2-oxopent-3-en-1-yl 2,4-dihydroxy-6-methylbenzoate
3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one
(3z,5z,8s)-8-chloro-2-ethyl-9-[(2z)-pent-2-en-4-yn-1-yl]-2,7,8,9-tetrahydrooxonine
C15H19ClO (250.11243539999998)
6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid
5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(19),2(10),3,8,11,15,17-heptaen-12-ylium
n-(3-aminopropyl)-4-hydroxy-2-imino-1h,7h-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid
2,6-dimethoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate
7-hydroxy-5-(hydroxymethyl)-2-(2-hydroxypropyl)chromen-4-one
(4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(1s,4s,6s,8s,10s,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(4r)-4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one
4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one
(2s,3s,8s)-3-chloro-2-[(2z)-pent-2-en-4-yn-1-yl]-8-[(1e)-prop-1-en-1-yl]-3,4,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(2s,3r)-2-{[(2s)-2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-hydroxybutanoic acid
(2z,4z,7s,8s)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-propyl-7,8-dihydro-6h-oxocine
C15H19ClO (250.11243539999998)
4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one
(2r,4e,7r,8r)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(2e)-6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid
3-chloro-2-(pent-2-en-4-yn-1-yl)-8-propyl-3,4-dihydro-2h-oxocine
C15H19ClO (250.11243539999998)
(4r)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
(2r,3r,8r)-3-chloro-2-(pent-2-en-4-yn-1-yl)-8-(prop-1-en-1-yl)-3,4,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
(3r)-6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one
6-[(1s)-1-hydroxypropyl]-1,3-dimethylpteridine-2,4-dione
1-[(1as,2s,7r,7ar)-2,3,7-trihydroxy-7a-methyl-2h,7h-naphtho[2,3-b]oxiren-1a-yl]ethanone
methyl 3-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate
(2e,7e)-8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid
1-[(3s)-3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone
(4s)-4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one
4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(3ar,5r,6s,6ar)-6-hydroxy-5-[hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
6,8-dihydroxy-3-(2-hydroxypropyl)-7-methylisochromen-1-one
(2s,3s)-4-[6-(furan-2-yl)pyrazin-2-yl]butane-1,2,3-triol
methyl 2-(1-hydroxy-2-phenylethyl)-4-oxooxetane-2-carboxylate
(3s)-3-chloro-9-ethyl-2-(pent-2-en-4-yn-1-yl)-2,3,4,9-tetrahydrooxonine
C15H19ClO (250.11243539999998)
6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one
6-hydroxy-1,8-dimethoxy-3-methyl-1h-isochromene-7-carbaldehyde
(1r,5s,7s,8r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
5,7-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
3-[(2e)-3-carboxy-3-methylprop-2-en-1-yl]-4-methoxybenzoic acid
8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one
[(2s)-3,3-dimethyloxiran-2-yl]methyl 2h-1,3-benzodioxole-5-carboxylate
(11z)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(6r)-6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one
(3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-3,4-dimethyloxolan-2-one
7-hydroxy-5-(hydroxymethyl)-2-[(2s)-2-hydroxypropyl]chromen-4-one
(1r,4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(3ar,5r,6r,6as)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
(3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
6,8-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
(2s,3s,4r,5r,6s)-2-[(2-hydroxybut-3-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(4s)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
(1s,5r,7r,8s,9r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
(4s,5r,6s,10s)-4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione
methyl 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoate
6-hydroxy-3-methyl-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
8-hydroxy-3-(2-hydroxypropyl)-6-methoxyisochromen-1-one
(5r)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one
3-chloro-2-(pent-2-en-4-yn-1-yl)-8-(prop-1-en-1-yl)-3,4,7,8-tetrahydro-2h-oxocine
C15H19ClO (250.11243539999998)
7-hydroxy-3-(2-hydroxypropyl)-7-methylisochromene-6,8-dione
methyl 5,7-dihydroxy-2,2-dimethylchromene-6-carboxylate
(3r,4s)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid
(6-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-8-yl)acetic acid
8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid
(1s,5s,7s,8r,9s)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
(2z,4z,7r,8r)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-propyl-7,8-dihydro-6h-oxocine
C15H19ClO (250.11243539999998)