Exact Mass: 250.085
Exact Mass Matches: 250.085
Found 500 metabolites which its exact mass value is equals to given mass value 250.085,
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].
4,4'-Diphenylmethane diisocyanate
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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
5-Methoxycanthin-6-one
5-Methoxycanthin-6-one is an alkaloid and an organic heterotetracyclic compound. 5-Methoxycanthin-6-one is a natural product found in Zanthoxylum caribaeum, Fagaropsis angolensis, and other organisms with data available. 5-Methoxycanthin-6-one is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood
2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
(7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. (7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens
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.
2-Methoxycanthin-6-one
2-Methoxycanthin-6-one is an alkaloid from stem wood of Quassia amara (Surinam quassia).
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-
6-Anilino-5,8-quinolinedione
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
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
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
9-Methoxycanthin-6-one
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].
2-methoxycanthin-6-one
2-Mercapto-3-(3-methoxy-propyl)-3H-quinazolin-4-one
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
4,6-O-(1-carboxyethylidene)-D-galactose|4,6-O-(1-carboxyethylidene)galactose
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.
(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
2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
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-(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
Ozagrel sodium
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
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
4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride
3-[(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)METHYL]BENZONITRILE
N-Ethyl-4-(dimethylamino)benzylamine Dihydrochloride
(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
5-Mercapto-1-[3-(3-methylureido) phenyl]-1,2,3,4-tetrazole
2-chloro-4-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine
(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-(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
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-(4-Fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetic acid
CIS-2-(3-FLUOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
2-(Trimethylsilyl)benzo[b]thiophen-7-ylboronic acid
1-(2-Chlorophenyl)piperazine Monohydrochloride Monohydrate
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
SDZ EAA 494
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
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-
Midafotel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
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-Fluorophenyl)methylthio]pyrimidine-4,6-diamine
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
(4AR,6R,7S,8R,8AS)-Hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-D][1,3]dioxine-2-carboxylic acid
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].
(4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic 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
9-Methoxyeupolauridine 1-Oxide
A natural product found in Ambavia gerrardii.
(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-fluorophenyl)-6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
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
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
4,4-Diphenylmethane diisocyanate
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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.
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
(2s,4ar,6r,7r,8r,8ar)-6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
(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
(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,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene
(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
2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene
{"Ingredient_id": "HBIN004690","Ingredient_name": "2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene","Alias": "NA","Ingredient_formula": "C13H14O3S","Ingredient_Smile": "NA","Ingredient_weight": "250.31","OB_score": "NA","CAS_id": "124442-14-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9051","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
3-methyl-canthin-2,6-dione
{"Ingredient_id": "HBIN008923","Ingredient_name": "3-methyl-canthin-2,6-dione","Alias": "NA","Ingredient_formula": "C15H10N2O2","Ingredient_Smile": "CN1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14204","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"}
