Exact Mass: 436.08577160000004
Exact Mass Matches: 436.08577160000004
Found 339 metabolites which its exact mass value is equals to given mass value 436.08577160000004
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Irisxanthone
A C-glycosyl compound that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6, a methoxy group at position 5 and a beta-D-glucopyranosyl residue at position 1 via a C-glycosyl linkage.
Swertianolin
Swertianolin, a xanthone isolated from Gentianella Acuta, inhibits acetylcholinesterase (AChE). Swertianolin also exhibits anti-HBV and anti-bacterial activity[1][2]. Swertianolin, a xanthone isolated from Gentianella Acuta, inhibits acetylcholinesterase (AChE). Swertianolin also exhibits anti-HBV and anti-bacterial activity[1][2].
Tianeptine
C21H25ClN2O4S (436.12234800000004)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants Tianeptine is a selective facilitator of 5-HT uptake. Tianeptine has no affinity for a wide range of receptors, including 5-HT and dopamine (IC50>10 μM) and has no effect on noradrenalin or dopamine uptake. Tianeptine has antidepressant, anxiolytic, analgesic and neuroprotective activities[1][2][3][4].
nafcillin sodium
C21H21N2NaO5S (436.10688160000007)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Tianeptine
C21H25ClN2O4S (436.12234800000004)
Tianeptine (INN) was discovered by The French Society of Medical Research in the 1960s. Under the trade-names (Stablon, Coaxil, Tatinol) it is a drug used for treating major depressive episodes (mild, moderate, or severe). It has structural similarities to the tricyclic antidepressants, but it has different pharmacological properties. Tianeptine is a selective serotonin reuptake enhancer (SSRE), opposite to the action of SSRIs. One review points to the cancellative effects of tianeptine and fluoxetine coadministration on serotonin reuptake. Another suggests that long-term administration of tianeptine has no effect on serotonin pathways. Tianeptine enhances the extracellular concentration of dopamine in the nucleus accumbens and modulates the D2 and D3 dopamine receptors, but this effect is modest and almost certainly indirect. There is also action on the NMDA and AMPA receptors. Recent reviews point to this pathway as a hypothesized mechanism of action, based on tianeptines effect of reversing impaired neuroplasticity associated with stress. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants Tianeptine is a selective facilitator of 5-HT uptake. Tianeptine has no affinity for a wide range of receptors, including 5-HT and dopamine (IC50>10 μM) and has no effect on noradrenalin or dopamine uptake. Tianeptine has antidepressant, anxiolytic, analgesic and neuroprotective activities[1][2][3][4].
Taxifolin 3-arabinoside
Taxifolin 3-arabinoside is found in fruits. Taxifolin 3-arabinoside is a constituent of the roots of Fragaria x ananassa (strawberry). Constituent of the roots of Fragaria x ananassa (strawberry). Taxifolin 3-arabinoside is found in strawberry and fruits.
Homomangiferin
Homomangiferin is found in fruits. Homomangiferin is a constituent of Mangifera indica (mango). Constituent of Mangifera indica (mango). Homomangiferin is found in fruits.
(-)-Epigallocatechin 3-cinnamate
(-)-Epigallocatechin 3-cinnamate is found in tea. (-)-Epigallocatechin 3-cinnamate is isolated from Assam tea (Camellia sinensis var. assamica). Isolated from Assam tea (Camellia sinensis variety assamica). Epigallocatechin 3-cinnamate is found in tea.
7-Chloro-3,3',4',5,6,8-hexamethoxyflavone
7-Chloro-3,3,4,5,6,8-hexamethoxyflavone is found in citrus. 7-Chloro-3,3,4,5,6,8-hexamethoxyflavone is a constituent of a Citrus sp. (Dancy tangerine)
C.I. Food Red 1
Colourant ormerly used in foodstuffs.
Isochinomin
Isochinomin is found in fruits. Isochinomin is a constituent of Mangifera indica (mango). Constituent of Mangifera indica (mango). Isochinomin is found in fruits.
Bis-(1,3-diethylthiobarbituric acid)trimethine oxonol
Ertugliflozin
phenylacetohydroximoyl-glutathione
C18H20N4O7S (436.10526500000003)
Phenylacetohydroximoyl-glutathione is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Phenylacetohydroximoyl-glutathione can be found in a number of food items such as peanut, sunflower, malus (crab apple), and chinese cinnamon, which makes phenylacetohydroximoyl-glutathione a potential biomarker for the consumption of these food products.
Cys-Cys-Asp-Pro
C15H24N4O7S2 (436.10863539999997)
Swertianolin
Swertianolin is a xanthone that is bellidifolin in which a beta-Dglucopyranosyl residue is attached at position O-8 via a glycosidic linkage. It is isolated particularly from Gentiana campestris and Gentiana germanica. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antioxidant and a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative, an aromatic ether and a xanthone glycoside. It is functionally related to a bellidifolin. Swertianolin is a natural product found in Gentianella amarella, Swertia japonica, and other organisms with data available. A xanthone that is bellidifolin in which a beta-Dglucopyranosyl residue is attached at position O-8 via a glycosidic linkage. It is isolated particularly from Gentiana campestris and Gentiana germanica. Swertianolin, a xanthone isolated from Gentianella Acuta, inhibits acetylcholinesterase (AChE). Swertianolin also exhibits anti-HBV and anti-bacterial activity[1][2]. Swertianolin, a xanthone isolated from Gentianella Acuta, inhibits acetylcholinesterase (AChE). Swertianolin also exhibits anti-HBV and anti-bacterial activity[1][2].
O-Methylmangiferin
7-O-Methylmangiferin is a natural product found in Iris germanica, Polygala tenuifolia, and other organisms with data available.
9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
3,4,5,6-tetrahydroxy-2-O-(3-O-acetyl-alpha-L-arabinosyl)benzophenone
3,5-dimethoxy-1-(E)-propenylphenol beta-D-glucopyranoside-4-O-sulfate|sulfatricalysine D
3,4,5,6-tetrahydroxy-2-O-(4-O-acetyl-beta-D-xylosyl)benzophenone
3,5-dihydroxy-8-methoxy-1-O-beta-D-glucopyranosyl xanthone
4-Hydroxy-thiocarbanilid-4-beta-D-glucopyranosiduronsaeure|N-<4-Hydroxy-phenyl->-N-<4-D-glucosidurono-phenyl>-thioharnstoff|N-[4-Hydroxy-phenyl->-N-(4-D-glucosidurono-phenyl)-thioharnstoff|N,N-Bis-<4-hydroxy-phenyl>-thioharnstoff-monoglucuronid|O1-{4-[N-(4-hydroxy-phenyl)-thioureido]-phenyl}-beta-D-glucopyranuronic acid|O1-{4-[N-(4-Hydroxy-phenyl)-thioureido]-phenyl}-beta-D-glucopyranuronsaeure
5-(3-O-beta-D-Glucopyranosyl)benzoyloxygentisic acid
2-(4-hydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-10-(3,4-dihydroxyphenyl)-(2R,3R,10R)-2H,8H-benzo [1,2-b:3,4-b]dipyran-8-one|2-(4-hydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-10-(3,4-dihydroxyphenyl)-(2R,3R,10R)-2H,8H-benzo[1,2-b:3,4-b]dipyran-8-one|corbulain Ia
3-(3-hydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2H-[1,4]dioxino[2,3-c]xanthen-7(3H)-one|hypericorin B
Me glycoside,6-phosphate-2-O-alpha-D-Mannopyranosyl-D-mannose
3-hydroxymethyl-2-(3-hydroxy-4-methoxyphenyl)-5,6:5,6-(7-methoxyxanthone)-1,4-dioxane|hyperielliptone HD
8-O-beta-D-glucosyl-1,3-dihydroxy-5-methoxyxanthone
4-beta-D-glucopyranosyl-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-one|4-C-??-D-Glucopyranosyl-1,3,6-trihydroxy-7-methoxyxanthone|7-O-methylisomangiferin
Me glycoside,6-phosphate-6-O-alpha-D-Mannopyranosyl-D-mannose
Homomangiferin
Homomangiferin is a natural product found in Mangifera indica with data available.
1,3,6-trihydroxy-5-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Ala Cys Asp Glu
Ala Cys Glu Asp
Ala Asp Cys Glu
Ala Asp Glu Cys
Ala Glu Cys Asp
Ala Glu Asp Cys
Cys Ala Asp Glu
Cys Ala Glu Asp
Cys Cys Asp Pro
C15H24N4O7S2 (436.10863539999997)
Cys Cys Pro Asp
C15H24N4O7S2 (436.10863539999997)
Cys Asp Ala Glu
Cys Asp Cys Pro
C15H24N4O7S2 (436.10863539999997)
Cys Asp Glu Ala
Cys Asp Pro Cys
C15H24N4O7S2 (436.10863539999997)
Cys Glu Ala Asp
Cys Glu Asp Ala
Cys Glu Glu Gly
Cys Glu Gly Glu
Cys Gly Glu Glu
Cys Pro Cys Asp
C15H24N4O7S2 (436.10863539999997)
Cys Pro Asp Cys
C15H24N4O7S2 (436.10863539999997)
Asp Ala Cys Glu
Asp Ala Glu Cys
Asp Cys Ala Glu
Asp Cys Cys Pro
C15H24N4O7S2 (436.10863539999997)
Asp Cys Glu Ala
Asp Cys Pro Cys
C15H24N4O7S2 (436.10863539999997)
Asp Asp Gly Met
Asp Asp Met Gly
Asp Glu Ala Cys
Asp Glu Cys Ala
Asp Gly Asp Met
Asp Gly Met Asp
Asp Met Asp Gly
Asp Met Gly Asp
Asp Pro Cys Cys
C15H24N4O7S2 (436.10863539999997)
Glu Ala Cys Asp
Glu Ala Asp Cys
Glu Cys Ala Asp
Glu Cys Asp Ala
Glu Cys Glu Gly
Glu Cys Gly Glu
Glu Asp Ala Cys
Glu Asp Cys Ala
Glu Glu Cys Gly
Glu Glu Gly Cys
Glu Gly Cys Glu
Glu Gly Glu Cys
Gly Cys Glu Glu
Gly Asp Asp Met
Gly Asp Met Asp
Gly Glu Cys Glu
Gly Glu Glu Cys
Gly Met Asp Asp
Met Asp Asp Gly
Met Asp Gly Asp
Met Gly Asp Asp
Pro Cys Cys Asp
C15H24N4O7S2 (436.10863539999997)
Pro Cys Asp Cys
C15H24N4O7S2 (436.10863539999997)
Pro Asp Cys Cys
C15H24N4O7S2 (436.10863539999997)
7-Chloro-3,3',4',5,6,8-hexamethoxyflavone
Isochinomin
Taxifolin 3-arabinoside
1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
C18H24N6O3S2 (436.13512339999994)
N-Desmethyl Diltiazem Hydrochloride
C21H25ClN2O4S (436.12234800000004)
O-Desmethyl Diltiazem Hydrochloride
C21H25ClN2O4S (436.12234800000004)
1-Butyl-1-Methylpiperidinium Bis(Trifluoromethylsulfonyl)Imide
Bis-(1,3-diethylthiobarbituric acid)trimethine oxonol
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
1-(4-chlorophenyl)-7,7-dimethyl-3-[(3-nitrophenyl)methyl]-6,8-dihydroquinoline-2,5-dione
C24H21ClN2O4 (436.11897760000005)
Carbonic acid,C,C-(sulfonyldi-2,1-ethanediyl) C,C-bis(2,5-dioxo-1-pyrrolidinyl) ester
2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]ethanol,dihydrochloride
2,4-diphenyl-5,6,7,8-tetrahydrochromenylium trifluoromethanesulphonate
C22H19F3O4S (436.0956090000001)
Sulfo-N-Succinimidyl 4-(Maleimidomethyl)cyclohexane-1-carboxylate, Sodium Salt
C16H17N2NaO9S (436.05524320000006)
sodium 2-[4-[(4-hydroxybiphenyl-3-yl)azo]phenoxy]ethyl sulphate
C20H17N2NaO6S (436.07049820000003)
Ertugliflozin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BK - Sodium-glucose co-transporter 2 (sglt2) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor
4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-Benzenesulfonic acid
[(5R)-3-{3-Fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
(1R,2S,3S,4R,5R)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(2-phenylethyl)-, 3,9-dioxide
1-(5-Chloro-6-(2-methylpropoxy)-3-pyridinyl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide
C19H21ClN4O4S (436.0971976000001)
3-(Benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d:3,4-f]pyrimidinone
C22H20N4O4S (436.12052000000006)
N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
3-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
4-[4-(2,4-dichlorobenzoyl)piperazino]-3-nitrobenzenecarbaldehyde O-methyloxime
C19H18Cl2N4O4 (436.07050480000004)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetamide
4-{[(E)-2-(5-Chlorothien-2-YL)vinyl]sulfonyl}-1-(1H-pyrrolo[3,2-C]pyridin-2-ylmethyl)piperazin-2-one
C18H17ClN4O3S2 (436.04305619999997)
Bis-1,2-{[(Z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane
2-({[3-(3,4-Dihydroisoquinolin-2(1h)-Ylsulfonyl)phenyl]carbonyl}amino)benzoic Acid
C23H20N2O5S (436.10928700000005)
3-Pyridin-4-YL-2,4-dihydro-indeno[1,2-.C.] pyrazole
1-[4,5,7,10-Tetrahydroxy-3-(3-oxobutanoyl)anthracen-2-yl]pentane-1,2,4-trione
(-)-taxifolin 3-O-beta-D-xylopyranoside
A flavanone glycoside that is (-)-taxifolin substituted by a beta-D-xylopyranosyl residue at position 3.
3,4-Difluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
3-[[[3-(1-Azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid
C20H21ClN2O5S (436.08596460000007)
5-(3-nitrophenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide
C22H20N4O4S (436.12052000000006)
1-S-[(1Z)-5-(methylsulfinyl)-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(3-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
2-{2-[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]vinyl}-8-quinolinyl acetate
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamide
C20H25ClN4O3S (436.13358100000005)
2,4-Difluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
4-(3-chlorophenyl)sulfonyl-N-cyclohexyl-N-methyl-3-nitrobenzamide
C20H21ClN2O5S (436.08596460000007)
Dimethyl 5-amino-3-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-thiazolecarboxamide
N-(3-chloro-4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-pyridinyl)butanediamide
(4R)-4-[(1S,2S)-3-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-1,2-dihydroxypropyl]-1,3,2-dioxaphospholan-2-olate 2-oxide
C17H17N4O8P-2 (436.07839720000004)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
(+)-taxifolin 3-O-beta-D-arabinopyranoside
A flavanone glycoside that is (+)-taxifolin substituted by a beta-D-arabinopyranosyl residue at position 3.
(+)-taxifolin 3-O-alpha-L-arabinofuranoside
A flavanone glycoside that is (+)-taxifolin substituted by an alpha-L-arabinofuranosyl residue at position 3.
(+)-taxifolin 3-O-alpha-D-arabinopyranoside
A flavanone glycoside that is (+)-taxifolin substituted by an alpha-D-arabinopyranosyl residue at position 3.
(+)-epitaxifolin 3-O-alpha-D-arabinopyranoside
A flavanone glycoside that is (+)-epitaxifolin substituted by an alpha-D-arabinopyranosyl residue at position 3.
(-)-epitaxifolin 3-O-alpha-D-arabinopyranoside
A flavanone glycoside that is (-)-epitaxifolin substituted by an alpha-D-arabinopyranosyl residue at position 3.
2-[(2R,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2S,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2S,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2R,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
(+)-taxifolin 3-O-alpha-L-arabinopyranoside
A flavanone glycoside that is (+)-taxifolin substituted by an alpha-L-arabinopyranosyl residue at position 3.
4-(7-Methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
methyl (5Z)-5-[[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylidene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylate
C19H17ClN2O6S (436.04958120000003)
(E)-N-(4-ethoxyphenyl)-3-hydroxy-3-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylprop-2-enethioamide
C23H22N3O4S+ (436.13309520000007)
4-[5-[(E)-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
2-[3-[(2S)-5-[(6-bromo-1H-indol-3-yl)-hydroxymethyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
2-[(2,4-Dimethyl-5-sulfophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
1,5-Bis[chloro(methyl)phenylsilyl]naphthalene
C24H22Cl2Si2 (436.06370319999996)
2,7-Bis[chloro(methyl)(phenyl)silyl]naphthalene
C24H22Cl2Si2 (436.06370319999996)
1,4-Bis[chloro(methyl)(phenyl)silyl]naphthalene
C24H22Cl2Si2 (436.06370319999996)
(+)-taxifolin 3-O-beta-D-xylopyranoside
A flavanone glycoside that is (+)-taxifolin substituted by a beta-D-xylopyranosyl residue at position 3.
riboflavin cyclic 4,5-phosphate(2-)
C17H17N4O8P (436.07839720000004)
An organophosphate oxoanion obtained by deprotonation of the phosphate and imido groups of riboflavin cyclic-4,5-phosphate; major species at pH 7.3.
7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid
C21H25ClN2O4S (436.12234800000004)
HSL-IN-1
C19H13BClF3N2O4 (436.06089540000005)
HSL-IN-1 (compound 24b) is a potent and orally active hormone sensitive lipase (HSL) inhibitor (IC50=2 nM) with a significantly reduced reactive metabolite liability[1].
5-(acetyloxy)-4-{[(2r)-3,3-dimethyloxiran-2-yl]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-14-yl acetate
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
4-(3,4-dihydroxyphenyl)-5,8-dihydroxy-14-(4-hydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
1,5-dihydroxy-3-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2-{7-bromo-6-hydroxy-1,4,4,8-tetramethyl-5-oxo-2h,3h,3ah,9bh-cyclopenta[a]naphthalen-1-yl}-2-oxoethyl acetate
(10r)-10-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-1,8,10-trihydroxy-3-methylanthracen-9-one
5-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetate
methyl (2e,6e)-3,5-dimethoxy-4-methyl-7-{2-[2-(2-methyloxiran-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}hepta-2,6-dienoate
(2s,3r)-3-{[(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1h-isochromen-7-yl 3-chloro-4-hydroxy-2-methoxy-6-methylbenzoate
(2s,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(4r,5r,14s)-14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(4-hydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
10-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-1,8,10-trihydroxy-3-methylanthracen-9-one
2-hydroxy-5-(3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)benzoic acid
(2r,3r)-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
20,28-dihydroxy-4,11,18,25-tetraazaheptacyclo[14.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-2(15),3,5,7,9,11,13,17,19,21,23,25-dodecaene-9-carboxylic acid
(4r,5r,14r)-4-(3,4-dihydroxyphenyl)-5,8-dihydroxy-14-(4-hydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
(3e,4r,5r)-5-(3,4-dihydroxyphenyl)-4-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
1-(2'-γ-pyranone)-6-caffeoyl-α-d-pyranoglucose
{"Ingredient_id": "HBIN000989","Ingredient_name": "1-(2'-\u03b3-pyranone)-6-caffeoyl-\u03b1-d-pyranoglucose","Alias": "NA","Ingredient_formula": "C20H20O11","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=COC=CC3=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "18240","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-c-β-d-glucopyranosyl-1,3,6-trihydroxy-7-methoxyxanthone
{"Ingredient_id": "HBIN010294","Ingredient_name": "4-c-\u03b2-d-glucopyranosyl-1,3,6-trihydroxy-7-methoxyxanthone","Alias": "NA","Ingredient_formula": "C20H20O11","Ingredient_Smile": "COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8742","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-caffeoylerigeroside
{"Ingredient_id": "HBIN012650","Ingredient_name": "6'-o-caffeoylerigeroside","Alias": "NA","Ingredient_formula": "C20H20O11","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=COC=CC3=O)O)O)O)O)O","Ingredient_weight": "436.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2900","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5315605","DrugBank_id": "NA"}
24-oxo-18-(prop-1-en-2-yl)-5,7,11,14,19-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-yl acetate
(2s,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1h-isochromen-7-yl 3-chloro-4-hydroxy-6-methoxy-2-methylbenzoate
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
[(2r,3s,4r,5r,6s)-6-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid
2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(4s,5r,6r)-4,5-dihydroxy-6-({4-phenyl-[1,1'-biphenyl]-2,6-diyl}oxy)-5,6-dihydro-4h-pyran-2-carboxylic acid
3-ethyl-7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid
2-[(1r,3as,9br)-7-bromo-6-hydroxy-1,4,4,8-tetramethyl-5-oxo-2h,3h,3ah,9bh-cyclopenta[a]naphthalen-1-yl]-2-oxoethyl acetate
1,6-dihydroxy-7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
5-methyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-9-en-14-yl 3-bromobenzoate
{6-[2,6-dimethoxy-4-(prop-1-en-1-yl)phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
5,8-dihydroxy-3-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(2-hydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid
(2s,3r,4s,5r,6r)-2,5-dihydroxy-4-[(3-nitropropanoyl)oxy]-6-{[(3-nitropropanoyl)oxy]methyl}oxan-3-yl prop-2-enoate
(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
2,8-dihydroxy-6-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
6-bromo-7,9-dihydroxy-5,12,15,15-tetramethyl-11-oxotetracyclo[7.5.1.0²,¹².0³,⁸]pentadeca-3,5,7-trien-10-yl acetate
(2r,3r)-3-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
1,3,8,11-tetrahydroxy-10-(4-hydroxy-2-oxopentyl)-2-methyltetracene-5,12-dione
3,5-dihydroxy-2-(hydroxymethyl)-6-[(4-oxopyran-3-yl)oxy]oxan-4-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
8-bromo-7-hydroxy-1-isopropyl-3a,9-dimethyl-5,6-dioxo-1h,2h,3h,4h,10bh-benzo[e]azulen-4-yl acetate
4-{[(2s,4s,5r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-14-methyl-2,9-dioxo-17-oxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11,13,15-heptaene-12-carbaldehyde
1,3,6-trihydroxy-7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
2-hydroxy-5-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)benzoic acid
(2r,3r,4s,5s,6s)-2-{3-chloro-12h-indolo[2,3-a]carbazol-11-yl}-6-methyloxane-3,4,5-triol
C24H21ClN2O4 (436.11897760000005)
(1r,5s,9e,11r,14s)-5-methyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-9-en-14-yl 3-bromobenzoate
(2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
10-(3-acetyl-4,6-dihydroxy-2-methoxyphenyl)-1,8,10-trihydroxy-3-methylanthracen-9-one
5-(3,4-dihydroxyphenyl)-4-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
(2s,3s)-3-{[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(3e,4s,5s)-5-(3,4-dihydroxyphenyl)-4-(3,5-dihydroxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
1,5-dihydroxy-3-methoxy-8-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
1,3-dihydroxy-5-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(2r,3z)-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[(3,4-dihydroxyphenyl)methylidene]-2-methoxy-2-methylfuro[3,2-c]pyran-4-one
(2r,3r,4s,5s,6r)-2-{3-chloro-12h-indolo[2,3-a]carbazol-11-yl}-6-methyloxane-3,4,5-triol
C24H21ClN2O4 (436.11897760000005)
{3,4,5-trihydroxy-6-[(4-oxopyran-3-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(4r,5r,14s)-4-(3,4-dihydroxyphenyl)-5,8-dihydroxy-14-(4-hydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
5,8-dihydroxy-3-methoxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1h-isochromen-7-yl 3-chloro-4-hydroxy-6-methoxy-2-methylbenzoate
(3r,4r,5r,6s)-6-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-4,5-dihydroxyoxan-3-yl acetate
4,5-dihydroxy-6-({4-phenyl-[1,1'-biphenyl]-2,6-diyl}oxy)-5,6-dihydro-4h-pyran-2-carboxylic acid
5-(acetyloxy)-4-[(3,3-dimethyloxiran-2-yl)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-14-yl acetate
1,3,6-trihydroxy-7-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
(2r,3r,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(4-oxopyran-3-yl)oxy]oxan-4-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1,3,6-trihydroxy-7-methoxy-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(1s,16s,28r)-20,28-dihydroxy-4,11,18,25-tetraazaheptacyclo[14.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-2(15),3,5,7,9,11,13,17,19,21,23,25-dodecaene-9-carboxylic acid
(4r,5r,14r)-14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(4-hydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
1,5-dihydroxy-3-methoxy-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(2s,3r,4r,5r)-5-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetate
6-[2-(3,4-dihydroxyphenyl)ethenyl]-3-[(3,4-dihydroxyphenyl)methylidene]-2-methoxy-2-methylfuro[3,2-c]pyran-4-one
(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-3,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
5-hydroxy-16-(4-hydroxyphenyl)-12-phenyl-9,14-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2,4,6,12,16-hexaene-11,15-dione
1,6-dihydroxy-7-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
1,6,7-trihydroxy-3-methoxy-2-[(2s,3s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
(2r,3r,4s,5s,6s)-2-{8-chloro-12h-indolo[2,3-a]carbazol-11-yl}-6-methyloxane-3,4,5-triol
C24H21ClN2O4 (436.11897760000005)
2-(4-hydroxy-3-methoxyphenyl)-3,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
1,3-dihydroxy-5-methoxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(2r,3r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(2r)-2,3-dihydroxypropyl 3-[2,4-dihydroxy-6-(methoxycarbonyl)benzoyl]-2,4-dihydroxy-6-methylbenzoate
(1r,13r,18s)-24-oxo-18-(prop-1-en-2-yl)-5,7,11,14,19-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-yl acetate
(2r,3r)-3-ethyl-7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
6-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-4,5-dihydroxyoxan-3-yl acetate
(1s,2r,9s,10r,12r)-6-bromo-7,9-dihydroxy-5,12,15,15-tetramethyl-11-oxotetracyclo[7.5.1.0²,¹².0³,⁸]pentadeca-3,5,7-trien-10-yl acetate
(1r,3ar,4r,10br)-8-bromo-7-hydroxy-1-isopropyl-3a,9-dimethyl-5,6-dioxo-1h,2h,3h,4h,10bh-benzo[e]azulen-4-yl acetate
5,8-dihydroxy-3-methoxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2,8-dihydroxy-6-methoxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(2r,3r,4s,5s,6r)-2-{8-chloro-12h-indolo[2,3-a]carbazol-11-yl}-6-methyloxane-3,4,5-triol
C24H21ClN2O4 (436.11897760000005)