Exact Mass: 250.0932
Exact Mass Matches: 250.0932
Found 500 metabolites which its exact mass value is equals to given mass value 250.0932,
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
Methoxybrassitin
Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. Methoxybrassitin is found in cauliflower, chinese cabbage, and brassicas. Methoxybrassitin is found in brassicas. Methoxybrassitin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii.
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).
(2R,4S)-6-Fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-
8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Dansylamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D004396 - Coloring Agents > D005456 - Fluorescent Dyes
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
2-Mercapto-3-(3-methoxy-propyl)-3H-quinazolin-4-one
[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
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-
Drymaritin
An indole alkaloid that is canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity.
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
1-Methoxycanthinone
An indole alkaloid that is the 1-methoxy derivative of canthinone. Isolated from Ailanthus altissima and Leitneria floridana, it exhibits anti-HIV activity.
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
8-Methoxycanthin-6-one
9-methoxycanthin-6-one is an indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. It has a role as a metabolite, an antineoplastic agent and an antiplasmodial drug. It is an indole alkaloid, an aromatic ether and an organic heterotetracyclic compound. It is functionally related to a canthin-6-one. 9-Methoxycanthin-6-one is a natural product found in Simarouba glauca, Eurycoma longifolia, and other organisms with data available. An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2]. 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2].
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)
13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one [IIN-based: Match]
3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
LY83583
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Met-THR
A dipeptide formed from L-methionine and L-threonine residues.
THR-Met
A dipeptide formed from L-threonine and L-methionine residues.
5-Methoxycanthin-6-one
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
Piperidin-4-yl-pyrimidin-2-yl-amine dihydrochloride
5-phenyl-3-propan-2-yl-1,3,5-thiadiazinane-2,4-dione
(3-(CYCLOPROPYLCARBAMOYL)-5-NITROPHENYL)BORONIC ACID
1-(2-AMINO-1-M-TOLYL-ETHYL)-PYRROLIDINE-3-CARBOXYLICACID
propan-2-yl 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
tert-butyl 3-(methanesulfonamido)azetidine-1-carboxylate
2,2,5,7-TETRAMETHYL-1-OXOINDANE-4-CARBONYL CHLORIDE
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)
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
1-METHYL-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE
2-(1-METHYL-1H-BENZIMIDAZOL-2-YL)-1-PHENYLETHANONE
3-[(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)METHYL]BENZONITRILE
N-Ethyl-4-(dimethylamino)benzylamine Dihydrochloride
TERT-BUTYL 6-FLUORO-3-METHYL-1H-INDAZOLE-1-CARBOXYLATE
(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
methyl 1-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylate
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
1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride
1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE
[4-(2-Aminoethyl)benzyl]dimethylamine dihydrochloride
2-N-(4-methoxyphenyl)benzene-1,2-diamine,hydrochloride
1-(4-METHYLBENZYL)-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
sodium,5-butan-2-yl-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate
methyl 1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylate
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
1-(Propyltrimethoxyl)-3-methylimidazolium chloride
[1-(4-Fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetic acid
CIS-2-(3-FLUOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole
1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
6-chloro-2,3,4,4a,9,9a-hexahydro-1h-carbazole-1-carboxamide
4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
Methyl 4-(2-aminoanilino)-2,5-dihydrothiophene-3-carboxylate
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
Spiro(4H-1-benzopyran-4,4-imidazolidine)-2,5-dione, 6-fluoro-2,3-dihydro-2-methyl-
D004791 - Enzyme Inhibitors
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
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
1-(4-Fluoro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester
(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
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
2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
4-Amino-5-(2-amino-3-hydroxypropanoyl)peroxy-5-oxopentanoic acid
(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
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
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.
2-(2-(2-Oxo-2-(trimethylsilyloxy)ethoxy)ethoxy)acetic acid
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
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
(2z)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]prop-2-enoic acid
(3,3-dimethyloxiran-2-yl)methyl 2h-1,3-benzodioxole-5-carboxylate
(7s,8s)-7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
(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
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"}
(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"}
