Exact Mass: 416.1623654
Exact Mass Matches: 416.1623654
Found 500 metabolites which its exact mass value is equals to given mass value 416.1623654
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Acetoxypinoresinol
Constituent of Olea europaea (olive). 8-Acetoxypinoresinol is found in many foods, some of which are herbs and spices, pomes, fats and oils, and olive. 8-Acetoxypinoresinol is found in fats and oils. 8-Acetoxypinoresinol is a constituent of Olea europaea (olive).
Phenylethyl primeveroside
C19H28O10 (416.16823880000004)
Phenylethyl primeveroside is found in herbs and spices. Phenylethyl primeveroside is a constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Phenylethyl primeveroside is found in tea and herbs and spices.
10-Hydroxymelleolide
10-Hydroxymelleolide is found in mushrooms. 10-Hydroxymelleolide is a metabolite of Armillariella mellea (honey mushroom). Metabolite of Armillariella mellea (honey mushroom). 10-Hydroxymelleolide is found in mushrooms.
4'-Methylliquiritigenin 7-rhamnoside
4-Methylliquiritigenin 7-rhamnoside is found in fruits. 4-Methylliquiritigenin 7-rhamnoside is a constituent of Prunus cerasoides (wild Himalayan cherry). Constituent of Prunus cerasoides (wild Himalayan cherry). 4-Methylliquiritigenin 7-rhamnoside is found in fruits.
Armillaric acid
Armillaric acid is found in mushrooms. Armillaric acid is isolated from Armillaria mellea (honey mushroom). Isolated from Armillaria mellea (honey mushroom). Armillaric acid is found in mushrooms.
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot)
1-Deoxo-1,10-dehydrosalvinorin A
Agelin
C24H29ClO4 (416.17542640000005)
4,5-Dihydro-4-((1-piperazinyl)acetyl)-7-(3-(trifluoromethyl)phenyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile
Gomisin A
Halopemide
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2]. Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2].
Thiafentanil
C22H28N2O4S (416.17696880000005)
Benzyl alcohol beta-D-rutinoside
C19H28O10 (416.16823880000004)
Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product.
Icariside D1
C19H28O10 (416.16823880000004)
Icariside d1 is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Icariside d1 is soluble (in water) and a very weakly acidic compound (based on its pKa). Icariside d1 can be found in anise and pomegranate, which makes icariside d1 a potential biomarker for the consumption of these food products.
Schisandrol B
A polyphenol metabolite detected in biological fluids [PhenolExplorer] Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3]. Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3].
Gomisin_A
Besigomsin is a tannin. Gomisin A is a natural product found in Schisandra sphenanthera and Schisandra chinensis with data available. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3]. Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3].
Epimagnolin B
Magnolin
Magnolin is a natural product found in Geranium platyanthum, Licaria armeniaca, and other organisms with data available. See also: Centipeda minima flowering top (part of). 3-(3,4-Dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is a natural product found in Hernandia nymphaeifolia, Hernandia sonora, and Magnolia biondii with data available. Magnolin, a major component of Magnolia liliiflora, inhibits the Ras/ERKs/RSK2 signaling axis by targeting the active pocket of ERK1 and ERK2 with IC50s of 87 nM and 16.5 nM, respectively. Magnolin, a major component of Magnolia liliiflora, inhibits the Ras/ERKs/RSK2 signaling axis by targeting the active pocket of ERK1 and ERK2 with IC50s of 87 nM and 16.5 nM, respectively. Magnolin, a major component of Magnolia liliiflora, inhibits the Ras/ERKs/RSK2 signaling axis by targeting the active pocket of ERK1 and ERK2 with IC50s of 87 nM and 16.5 nM, respectively.
GomisinO
Gomisin O is a natural product found in Schisandra rubriflora, Schisandra bicolor, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin O is isolated from the fruits of Schizandra chinensis[1]. Gomisin O is isolated from the fruits of Schizandra chinensis[1].
Leonubiastrin
3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin
Apetalolide
munetone
2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
13:4+4O fatty acyl hexoside
C19H28O10 (416.16823880000004)
Annotation level-3
rel-(7R,8R,7R,8R)-3,4-methylenedioxy-3,4,5,5-tetramethoxy-7,7-epoxylignan
A natural product found in Beilschmiedia tsangii.
(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-10-formyloxy-4b,5,6,7,8,8a,9,10-octahydro-9-hydroxy-2,4b,7-trimethyl-8-methylidenspiro(cyclopropan-1,2(1H)-phenanthren)-1,4(3H)-dion|(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-10-formyloxy-4b,5,6,7,8,8a,9,10-octahydro-9-hydroxy-2,4b,7-trimethyl-8-methylidenspiro-1,4(3H)-dion
2,3,6-Tri-Me ether,di-Ac-(S)-2,3,4,6,7-Pentahydroxyisoflavan
Phenylethyl O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
1-Methylethyl 3,4-dihydro-7,8-dihydroxy-5-methoxy-3,10-dimethyl-4-oxo-4H-naphtho<2.3-b>pyran-3-butanoate
4-(1-Acetoxypropyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-butyryl-2H-1-benzopyran-2-one
(7S,8R,1S,2S,3R)-Delta8-2-acetoxy-3,5-dimethoxy-4-hydroxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan
14alpha-hydroxy-7alpha-acetyl-11,16-diketoapian-8-en-(20,6)-olied|yantuine III
(2xi,3aR,10bR)-8-(2-Acetoxy-1-methylethyl)-3,3a-dihydro-7,9,10-trihydroxy-3a,10b-dimethyl-1H-5-oxaacephenanthrilen-4(2H),6(10bH)-dion
8beta-(5-acetoxytiglinoyloxy)-atripliciolide|8beta-<5-acetoxytiglinoyloxy>-atripliciolide
3,4-trans-3-methyl-4-[(5-hydroxy-3,4-methylenedioxyphenyl)(3,4,5-trimethoxyphenyl)methyl]butyrolactone
rel-(7S,8R,1R,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxy-3,5-dimethoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan
2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Isopropyl ester-3,4-Dihydro-7,8-dihydroxy-5-methoxy-3,10-dimethyl-4-oxo-2H-naphtho[2,3-b]pyran-3-butanoic acid
(7S, 8R, 1S, 2S, 3R)-Delta8-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan
14alpha-hydroxy-7alpha-methylformate-11,16-diketoapian-8-en-(20,6)-olied|yantuine II
2-phenylethyl 6-O-alpha-L-arabinofuranosy-beta-D-glucopyranoside|2-phenylethyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside|2-phenylethyl O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
benzyl-O-alpha-L-rhamnopyranosyl (1->6)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
(beta,beta-Dihydroxy-isopropyl)-(O3-alpha-D-mannopyranosyl-alpha-D-galactopyranosid)|(beta,beta-dihydroxy-isopropyl)-(O3-alpha-D-mannopyranosyl-alpha-D-galactopyranoside)
(aS)-(5S,6S,6aS,7S,12bS)-5,6,6a,7-tetrahydro-5,7-dihydroxy-2,3,12-trimethoxy-6,6a-dimethyl-1H-indeno[1,7a:2,3]indeno-[5,6-d]dioxol-1-one|kadsuphilin M
2,3,4-trihydroxy-3-methylbutyl 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]-2-propenoate|evolvoid A
C19H28O10 (416.16823880000004)
(6S,7S)-6,7-dihydro-1,7-dihydroxy-2,3,13-trimethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8(5H)-one|kadoblongifolin A
O-alpha-D-Galactopyranosyl-(1鈥樏傗垎2)-O-alpha-D-Glucopyranosyl-(1鈥樏傗垎1)-D-glycerol
(1S,2R,5S,6R)-2-(5-methoxy-3,4-methylenedioxyphenyl)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
5-methoxy-8,8-dimethyl-10-[(2E)-2-methylbut-2-enoyl]-4-phenyl-2H,8H-pyrano[3,2-g]chromen-2-one|Apetalolide|Apetatolide
rel-(1R,4S,5R,7S,8R)-Delta2,8-4-acetoxy-4-hydroxy-3,3,5-trimethoxy-6-oxo-8.1,7.5-neolignan
Benzyl glycoside-4-O-beta-D-Galactopyranosyl-L-rhamnose
C19H28O10 (416.16823880000004)
(8R,8R,9S)-9-ab-methoxy-3,4,5-trimethoxy-3,4-methylenedioxy-8.8-9.oO.9-lignan-Delta:1,3,5,1,3,5|alpha-methylclusin
4alpha,18-epoxytafricanin A|tafricanin A epoxide|tafricanine A epoxide
(6S,7S)-6,7-dihydro-3,7-dihydroxy-1,2,13-trimethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzo-dioxol-8(5H)-one|kadoblongifolin B
(+)-dictyosphaeric acid A|(2E,4E,6E)-7-((2aS,2a(1)S,5aS,6R,10S)-5a,6-dihydroxy-10-methyl-5,12-dioxo-2a,2a(1),5,5a,6,7,8,9,10,12-decahydrobenzofuro[3,4-cd]oxecin-1-yl)hepta-2,4,6-trienoic acid|dictyophaeric acid A
(2RS)-2-(3-benzoylphenyl)propionyl beta-D-glucopyranoside
4-(1-acetoxypropyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(2-methyl-1-oxopropyl)-2 h -1-benzopyran-2-one
(5beta,6beta,7beta,8alpha,11alpha)-11-(angeloyloxy)-2-oxo-8-(propanoyloxy)-guaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone C|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxo-4-(1-oxopropoxy)-azuleno[4,5-b]furan-3-yl (2Z)-2-methylbut-2-enoate
comazaphilone E
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6. Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities.
comazaphilone C
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. Isolated from Penicillium commune, it exhibits antibacterial activity.
2,6-dimethoxy-4-[(1E)-3,3-dimethoxy-1-propenyl]phenyl beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diyl diacetate
2,3-trans-2-methyl-3-{(3-hydroxy-4,5-dimethoxyphenyl)[5-methoxy-3,4-(methylenedioxy)phenyl]methyl}butyrolactone
(1S,7S,8S,9S)-10-chloro-11-hydroxy-1,7-diisovaleroxyvaltrate chlorohydrin|chlorovaltrate O
(+)-3,5,7-trihydroxy-3-[3-hydroxy-2,4-dimethoxy-5-(3-methyl-2-butenyl)]-phenyl-4H-1-benzopyran-4-one|sophoranone
benzyl-O-alpha-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside
C19H28O10 (416.16823880000004)
9beta-hydroxy-8beta-(5-acetoxytiglinoyloxy)-2-oxo-lasiolaenin|9beta-hydroxy-8beta-<5-acetoxytiglinoyloxy>-2-oxo-lasiolaenin
icariside DC|phenylethyl 1-O-beta-D-apiofuranosyl-(1->4)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
3-hydroxy-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propyl beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
(2S,4S,5R,6R,7S,8R)-6-O-(3,9-dideoxy-D-threo-D-altro-nononic acid-2--yl)-D-glucopyranose
8alpha-senecioyloxy-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate
Benzyl glycoside-alpha-Pyranose-3-O-beta-D-Glucopyranosyl-L-rhamnose
C19H28O10 (416.16823880000004)
5-acetoxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one
3-(3,4-Dimethoxybenzyl)-4-(3,4,5-trimethoxybenzyl)-dihydrofuran-2(5H)-one
Diacetic acid 1,3-dioxane-4,5-diylbis(3-methoxy-p-phenylene) ester
((R)-2,3-Dihydroxy-propyl)-(O6-alpha-D-galactopyranosyl-beta-D-galactopyranosid)|((R)-2,3-dihydroxy-propyl)-(O6-alpha-D-galactopyranosyl-beta-D-galactopyranoside)|(2R)-1-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl] glycerol|(2R)-3-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]-sn-glycerol|(2R)-3-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]glycerol|1-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]glycerol|3-O-alpha-D-galactopyranosyl(1<*>6)-O-beta-D-galactopyranosyl-sn-glycerol
3-(Hydroxymethyl)-3,4-dihydro-4-(3,5-dimethoxy-4-hydroxyphenyl)-5,7-dimethoxy-6-hydroxynaphthalene-2-carbaldehyde
2-(3,4,5-trimethoxyphenyl)-3,7-dihydroxy-6-((Z)-2-carboxyvinyl)-8-methyl-2,3-dihydro-1-benzopyran|malloapeltic acid
deoxypicropodophyllinic acid|Desoxypicropodophyllinsaeure
Benzyl glycoside-alphaalpha-Pyranose-2-O-beta-D-Glucopyranosyl-L-rhamnose
C19H28O10 (416.16823880000004)
(2S,3S)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
Halopemide
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2]. Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2].
EpigomisinO
Epigomisin O is a natural product found in Schisandra propinqua, Schisandra rubriflora, and other organisms with data available. See also: Schisandra chinensis fruit (part of).
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diyldiacetate
MLS000859908-01!Cyproterone acetate
C24H29ClO4 (416.17542640000005)
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 2-O-beta-D-xylopyranosyl
C19H28O10 (416.16823880000004)
C19H28O10_2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl
C19H28O10 (416.16823880000004)
C22H24O8_(2E)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradeca-1(13),2-dien-9-yl (2E)-4-acetoxy-2-methyl-2-butenoate
C22H24O8_Benzoic acid, 3,6-dihydroxy-4-methoxy-2-methyl-, (6R,7R)-5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester
C19H28O10_Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl ester
C19H28O10 (416.16823880000004)
C23H28O7_1,3-Benzodioxole, 4-methoxy-6-[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]
C19H28O10_2-Phenylethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
C23H28O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,4a,9,10,10a-hexahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-2-oxo-, methyl ester, (1R,4aS,9S,10S)
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol
C19H28O10 (416.16823880000004)
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol
C19H28O10 (416.16823880000004)
methyl (1R,4aS,9S,10S)-10-acetyloxy-5,9-dihydroxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-1-carboxylate
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol
C19H28O10 (416.16823880000004)
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848266]
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]
Cyproterone acetate
C24H29ClO4 (416.17542640000005)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9521; ORIGINAL_PRECURSOR_SCAN_NO 9516 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9556; ORIGINAL_PRECURSOR_SCAN_NO 9553 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9587; ORIGINAL_PRECURSOR_SCAN_NO 9585 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9594; ORIGINAL_PRECURSOR_SCAN_NO 9592 ORIGINAL_PRECURSOR_SCAN_NO 9592; CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9594 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9566; ORIGINAL_PRECURSOR_SCAN_NO 9564 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9608; ORIGINAL_PRECURSOR_SCAN_NO 9606
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_major
C19H28O10 (416.16823880000004)
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol_major
C19H28O10 (416.16823880000004)
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_major
C19H28O10 (416.16823880000004)
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate_major
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_14.0\\%
C19H28O10 (416.16823880000004)
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_64.2\\%
C19H28O10 (416.16823880000004)
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_minor
C19H28O10 (416.16823880000004)
Ala Cys His Ser
Ala Cys Ser His
Ala Asp Asp Pro
C16H24N4O9 (416.15432139999996)
Ala Asp Pro Asp
C16H24N4O9 (416.15432139999996)
Ala His Cys Ser
Ala His Ser Cys
Ala Pro Asp Asp
C16H24N4O9 (416.15432139999996)
Ala Ser Cys His
Ala Ser His Cys
Cys Ala His Ser
Cys Ala Ser His
Cys Gly His Thr
Cys Gly Thr His
Cys His Ala Ser
Cys His Gly Thr
Cys His Ser Ala
Cys His Thr Gly
Cys Pro Pro Thr
C17H28N4O6S (416.17294680000003)
Cys Pro Thr Pro
C17H28N4O6S (416.17294680000003)
Cys Ser Ala His
Cys Ser His Ala
Cys Thr Gly His
Cys Thr His Gly
Cys Thr Pro Pro
C17H28N4O6S (416.17294680000003)
Asp Ala Asp Pro
C16H24N4O9 (416.15432139999996)
Asp Ala Pro Asp
C16H24N4O9 (416.15432139999996)
Asp Asp Ala Pro
C16H24N4O9 (416.15432139999996)
Asp Asp Pro Ala
C16H24N4O9 (416.15432139999996)
Asp Glu Gly Pro
C16H24N4O9 (416.15432139999996)
Asp Glu Pro Gly
C16H24N4O9 (416.15432139999996)
Asp Gly Glu Pro
C16H24N4O9 (416.15432139999996)
Asp Gly Pro Glu
C16H24N4O9 (416.15432139999996)
Asp Pro Ala Asp
C16H24N4O9 (416.15432139999996)
Asp Pro Asp Ala
C16H24N4O9 (416.15432139999996)
Asp Pro Glu Gly
C16H24N4O9 (416.15432139999996)
Asp Pro Gly Glu
C16H24N4O9 (416.15432139999996)
Glu Asp Gly Pro
C16H24N4O9 (416.15432139999996)
Glu Asp Pro Gly
C16H24N4O9 (416.15432139999996)
Glu Gly Asp Pro
C16H24N4O9 (416.15432139999996)
Glu Gly Pro Asp
C16H24N4O9 (416.15432139999996)
Glu Pro Asp Gly
C16H24N4O9 (416.15432139999996)
Glu Pro Gly Asp
C16H24N4O9 (416.15432139999996)
Phe Gly Gly His
Phe Gly His Gly
Phe His Gly Gly
Gly Cys His Thr
Gly Cys Thr His
Gly Asp Glu Pro
C16H24N4O9 (416.15432139999996)
Gly Asp Pro Glu
C16H24N4O9 (416.15432139999996)
Gly Glu Asp Pro
C16H24N4O9 (416.15432139999996)
Gly Glu Pro Asp
C16H24N4O9 (416.15432139999996)
Gly Phe Gly His
Gly Phe His Gly
Gly Gly Phe His
Gly Gly His Phe
Gly His Cys Thr
Gly His Phe Gly
Gly His Gly Phe
Gly His Thr Cys
Gly Pro Asp Glu
C16H24N4O9 (416.15432139999996)
Gly Pro Glu Asp
C16H24N4O9 (416.15432139999996)
Gly Thr Cys His
Gly Thr His Cys
His Ala Cys Ser
His Ala Ser Cys
His Cys Ala Ser
His Cys Gly Thr
His Cys Ser Ala
His Cys Thr Gly
His Phe Gly Gly
His Gly Cys Thr
His Gly Phe Gly
His Gly Gly Phe
His Gly Thr Cys
His Ser Ala Cys
His Ser Cys Ala
His Ser Ser Ser
C15H24N6O8 (416.16555439999996)
His Thr Cys Gly
His Thr Gly Cys
Pro Ala Asp Asp
C16H24N4O9 (416.15432139999996)
Pro Cys Pro Thr
C17H28N4O6S (416.17294680000003)
Pro Cys Thr Pro
C17H28N4O6S (416.17294680000003)
Pro Asp Ala Asp
C16H24N4O9 (416.15432139999996)
Pro Asp Asp Ala
C16H24N4O9 (416.15432139999996)
Pro Asp Glu Gly
C16H24N4O9 (416.15432139999996)
Pro Asp Gly Glu
C16H24N4O9 (416.15432139999996)
Pro Glu Asp Gly
C16H24N4O9 (416.15432139999996)
Pro Glu Gly Asp
C16H24N4O9 (416.15432139999996)
Pro Gly Asp Glu
C16H24N4O9 (416.15432139999996)
Pro Gly Glu Asp
C16H24N4O9 (416.15432139999996)
Pro Pro Cys Thr
C17H28N4O6S (416.17294680000003)
Pro Pro Thr Cys
C17H28N4O6S (416.17294680000003)
Pro Thr Cys Pro
C17H28N4O6S (416.17294680000003)
Pro Thr Pro Cys
C17H28N4O6S (416.17294680000003)
Ser Ala Cys His
Ser Ala His Cys
Ser Cys Ala His
Ser Cys His Ala
Ser His Ala Cys
Ser His Cys Ala
Ser His Ser Ser
C15H24N6O8 (416.16555439999996)
Ser Ser His Ser
C15H24N6O8 (416.16555439999996)
Ser Ser Ser His
C15H24N6O8 (416.16555439999996)
Thr Cys Gly His
Thr Cys His Gly
Thr Cys Pro Pro
C17H28N4O6S (416.17294680000003)
Thr Gly Cys His
Thr Gly His Cys
Thr His Cys Gly
Thr His Gly Cys
Thr Pro Cys Pro
C17H28N4O6S (416.17294680000003)
Thr Pro Pro Cys
C17H28N4O6S (416.17294680000003)
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
Armillaric acid
10-Hydroxymelleolide
4'-Methylliquiritigenin 7-rhamnoside
Paxgp
C19H28O10 (416.16823880000004)
2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
C19H28O10 (416.16823880000004)
Benzyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside
C19H28O10 (416.16823880000004)
2-Phenylethyl 2-O-?-D-xylopyranosyl-?-D-glucopyranoside
C19H28O10 (416.16823880000004)
3-Hydroxy-1-[(4-methoxy-7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy]-3-methyl-2-butanyl (2E)-2-methyl-2-butenoate
4-(1,3-Benzodioxol-5-ylmethyl)-3-[hydroxy(3,4,5-trimethoxyphenyl) methyl]dihydro-2(3H)-furanone
dipotassium hexadec-2-enylsuccinate
C20H34K2O4 (416.17311240000004)
3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol
C23H29ClN2OS (416.16890140000004)
Pyrinoline
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
3H-Indolium, 2-(2-(4-((2-chloroethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)
Decamethonium Bromide
C16H38Br2N2 (416.14015479999995)
Decamethonium Bromide is a nicotinic AChR partial agonist and neuromuscular blocking agent. Target: nAChR Decamethonium (Syncurine) is a depolarizing muscle relaxant or neuromuscular blocking agent, and is used in anesthesia to induce paralysis. Decamethonium, which has a short action time, is similar to acetylcholine and acts as a partial agonist of the nicotinic acetylcholine receptor. In the motor endplate, it causes depolarization, preventing further effects to the normal release of acetylcholine from the presynaptic terminal, and therefore preventing the neural stimulus from affecting the muscle. In the process of binding, decamethonium actually activates (depolarizes) the motor endplate, but since the decamethonium itself is not degraded, the membrane remains depolarized and unresponsive to normal acetylcholine release [1].
7,7-dimethyl-1-(4-methylphenyl)-3-[(3-nitrophenyl)methyl]-6,8-dihydroquinoline-2,5-dione
3-O-methyl 5-O-(oxolan-2-ylmethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
fenpiverinium bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
(S)-3-(1-Cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine
L-741,742 hydrochloride,5-(4-Chlorophenyl)-4-methyl-3-(1-(2-phenylethyl)piperidin-4-yl)isoxazolehydrochloride
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,hexanedioic acid
C19H28O10 (416.16823880000004)
methyl 3-((2-(N-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylate
C23H20N4O4 (416.14844800000003)
Licogliflozin
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
1H-1,2,4-Triazole-1-propanamide, 3-((2,2-difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)-
C19H18F2N6O3 (416.14083819999996)
1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoroindolin-1-yl)-2-(6-methylpyridin-2-yl)ethanone
C23H21FN6O (416.17607879999997)
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
[3-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl-]-phosphonic acid
gomisin A
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3]. Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3].
N-[[5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophen-2-yl]methyl]pyridin-3-amine
Benzyl alcohol beta-D-rutinoside
C19H28O10 (416.16823880000004)
Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product.
2-Phenylethyl beta-primeveroside
C19H28O10 (416.16823880000004)
A 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside in which the anomeric substituent is specified as 2-phenylethyl.
Methyl 9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,7,8,9-octahydrobenzo[f]isochromene-7-carboxylate
Phenethyl 2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,6-dihydroxy-4-methoxy-2-methylbenzoate
4-(beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate
C19H28O10 (416.16823880000004)
evolvoid A
C19H28O10 (416.16823880000004)
A cinnamate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with 2-methylbutane-1,2,3-triol and in which the hydroxy group at position 4 is replaced by a 2,3,4-trihydroxy-2-methylbutyl]oxy group. Isolated from the whole plants of Evolvulus alsinoides, it exhibits characteristics of an Ayurvedic crude drug.
methyl 2-[3-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetate
C23H20N4O4 (416.14844800000003)
3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
ethyl 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
2,3-Dihydro-1,4-benzodioxin-3-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone
4-[4-Diethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolyl]morpholine
4-[[3-[(2-methoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
WURCS=2.0/3,3,2/[hxh][a2122h-1b_1-5][a2112h-1b_1-5]/1-2-3/a3-b1_b4-c1
(1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
3-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione
(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
1,3-benzodioxol-5-yl-[(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
(6R,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
(6S,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
(6S,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
(6R,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
(6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
(6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H28N2O4S (416.17696880000005)
WURCS=2.0/3,3,2/[hxh][a2122h-1a_1-5][a2112h-1a_1-5]/1-2-3/a3-b1_b2-c1
(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C19H28O10 (416.16823880000004)
2,3-dihydroxypropyl 2-O-alpha-D-glucopyranosyl-beta-D-galactofuranoside
1-O-(4-O-alpha-D-glucoopyranosyl-beta-D-galactopyranosyl)-glycerol
2-(D-glucopyranosyloxy)-3-hydroxypropyl D-galactopyranoside
1-(D-glucopyranosyloxy)-3-hydroxypropan-2-yl D-galactopyranoside
(E,6R)-6-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxyhept-2-enoate
C22H26NO7- (416.17091860000005)
3-(7,12-Dihydroxy-10-methoxy-4,5,5,14-tetramethyl-9-oxo-3-oxatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),7,11,13-pentaen-10-yl)-2-hydroxypropanoic acid
2-[2-[(E)-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]-3-oxocyclopenten-1-yl]acetic acid
C19H28O10 (416.16823880000004)
EN4
EN4 is a covalent ligand that targets cysteine 171 (C171) of MYC. EN4 is selective for c-MYC over N-MYC and L-MYC. EN4 inhibits MYC transcriptional activity, downregulates MYC targets, and impairs tumorigenesis[1].
3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-10-ol
(1s)-1-[8-butanoyl-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-oxochromen-4-yl]propyl acetate
(1s,10s,12r,13r,14r,17r)-12-hydroxy-5-[(1e,3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
3-hydroxy-1-{4-methyl-9h-pyrido[3,4-b]indol-1-yl}-2-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-1-one
(3s,4s)-4-[(s)-(4-hydroxy-3,5-dimethoxyphenyl)(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
(2r,4'as,5'r,5''s,6'r,8'as)-5''-(furan-3-yl)-6'-methyl-2',2'',8'-trioxo-tetrahydro-3'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(6r,7r)-6-hydroxy-7-methyl-8-oxo-3-(prop-1-en-1-yl)-5,6-dihydro-1h-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate
5,7-dihydroxy-2-{4-hydroxy-3-[(3s)-4-hydroxy-3-methylbutyl]phenyl}-3,6-dimethoxychromen-4-one
(1s,11s,12s,13s,14s)-11,14-dihydroxy-3,17,18-trimethoxy-12,13-dimethyl-5,7-dioxapentacyclo[10.7.0.0¹,¹⁵.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,15,17-pentaen-19-one
(3s,4s)-4-[(r)-(7-hydroxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
1,4a,5-trimethyl 1-[2-(furan-3-yl)ethyl]-2-methyl-2,3,4,8a-tetrahydronaphthalene-1,4a,5-tricarboxylate
6-[(2s,3s,4s,5r)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole
5-{[(3r,4r,5s)-5-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl}-2h-1,3-benzodioxole
(9r,10r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-9-ol
methyl 4-(3-formyl-4,6-dihydroxy-2,5-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate
(1r,15r,18r)-4,5,6,10,11-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-9-ol
(1s,2r,6s,7s,10r,12r,14s)-14-methyl-5,9-dimethylidene-4,8-dioxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-2-[(acetyloxy)methyl]but-2-enoate
methyl (1s,3s,4s,5r,12r,13s,14r)-7-formyl-5-hydroxy-5,10-dimethyl-2,6-dioxo-13-pentyl-11-oxatetracyclo[6.5.1.0⁴,¹⁴.0¹²,¹⁴]tetradeca-7,9-diene-3-carboxylate
6-[(2r,3r,4s,5r)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole
(1r)-10-hydroxy-3-methyl-1-propyl-8-[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]-1h-cyclohexa[g]isochromene-6,9-dione
(2z,4s,8s,9r,11r)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2e)-2-[(acetyloxy)methyl]but-2-enoate
(2s,3r,4s,5s,6r)-2-{4-[(1e)-3,3-dimethoxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C19H28O10 (416.16823880000004)
[(3s,4r)-4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-5,6,7-trimethoxy-3,4-dihydronaphthalen-2-yl]methanol
(3s,3ar,4s,9ar,9bs)-3,6,9-trimethyl-2,7-dioxo-4-(propanoyloxy)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl (2z)-2-methylbut-2-enoate
(3as,4r,5r,9as,9br)-5-(acetyloxy)-6,9-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
(1s,8r,9r,10r)-3,4,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.0¹,⁶.0¹¹,¹⁶]heptadeca-3,5,11,13,15-pentaen-2-one
7-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate
isopropyl 4-{7,8-dihydroxy-6-methoxy-3,10-dimethyl-4-oxo-2h-naphtho[2,3-b]pyran-3-yl}butanoate
(2e)-4-[(1s,2s,6s)-4-[chloro(methoxy)methyl]-2-hydroxy-3-(2-hydroxyheptyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
(1r,2r,4s,5r,6s,9s,10r,11s,13s)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylbutanoate
(2r,3r,4s)-4-[bis(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-ol
(9s,10s,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-ol
(1s)-2-[(1r,2s,4s,9r,12s,13r)-4,13-dihydroxy-11-methylidene-7-oxo-8,14-dioxatetracyclo[7.6.0.0¹,⁶.0²,¹²]pentadec-5-en-12-yl]-1-(furan-3-yl)ethyl acetate
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)-2-(2-phenylethoxy)oxane-3,4-diol
C19H28O10 (416.16823880000004)
(1r,3as,4r,6as)-1-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan
(9s,10s,11r)-3,4,11,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-5-ol
(1r)-8-[(2r,3r,4s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-1h-cyclohexa[g]isochromene-6,9-dione
9-acetyl-3-(3,4-dihydroxy-3,5-dimethylhept-1-en-1-yl)-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
(1r)-1-[5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-2-oxochromen-4-yl]propyl acetate
5-{[(3r,4r,5r)-5-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl}-2h-1,3-benzodioxole
(2s,3s,4r,5r,6s)-4-(benzyloxy)-2-{[(3r,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,5-diol
C19H28O10 (416.16823880000004)
3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-9-ol
6-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(1s,2s,11s,18s)-7,9,13,15-tetramethoxy-4,19-dioxapentacyclo[9.9.0.0²,¹⁸.0⁵,¹⁰.0¹²,¹⁷]icosa-5(10),6,8,12(17),13,15-hexaene-8,14-diol
(2r,3s,4s,5r,6r)-2-({[(2r,3s,4s)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
C19H28O10 (416.16823880000004)