Exact Mass: 416.1471104
Exact Mass Matches: 416.1471104
Found 500 metabolites which its exact mass value is equals to given mass value 416.1471104
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Daidzin
Daidzein 7-O-beta-D-glucoside is a glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). It has a role as a plant metabolite. It is a hydroxyisoflavone, a monosaccharide derivative and a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It is functionally related to a daidzein. Daidzin is a natural product found in Thermopsis lanceolata, Thermopsis macrophylla, and other organisms with data available. See also: Astragalus propinquus root (part of). Daidzin is found in miso. Daidzin is isolated from soya bean (Glycine max) and soya bean meal, kudzu root (Pueraria lobata), alfalfa (Medicago sativa) and other Leguminosae.Daidzin is a cancer preventive and an alcohol dependency treatment (antidipsotropic) in animal models. Daidzin is a natural organic compound in the class of phytochemicals known as isoflavones. Daidzin can be found in Japanese plant Kudzu (Pueraria lobata, Fabaceae) and from soybean leaves A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). Isolated from soya bean (Glycine max) and soya bean meal, kudzu root (Pueraria lobata), alfalfa (Medicago sativa) and other Leguminosae D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents D004791 - Enzyme Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities. Daidzin is a potent and selective inhibitor of mitochondrial ALDH-2. Daidzin reduces ethanol consumption[1]. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities.
Puerarin
Puerarin is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4 and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a C-glycosyl compound and a hydroxyisoflavone. It is functionally related to an isoflavone. Puerarin has been investigated for the treatment of Alcohol Abuse. Puerarin is a natural product found in Neustanthus phaseoloides, Clematis hexapetala, and other organisms with data available. Puerarin, also known as Kakonein, is a member of the class of compounds known as isoflavonoid C-glycosides. These compounds are C-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Puerarin is considered a slightly soluble (in water), acidic compound. Puerarin can be synthesized into puerarin xyloside. Puerarin is found in a number of plants and herbs, such as the root of the kudzu plant. A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4 and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. A polyphenol metabolite detected in biological fluids [PhenolExplorer] D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Acquisition and generation of the data is financially supported in part by CREST/JST. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist.
Chrysophanein
Isolated from Rheum, Rumex subspecies Chrysophanein is found in green vegetables and garden rhubarb. Chrysophanein is found in garden rhubarb. Chrysophanein is isolated from Rheum, Rumex species. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1]. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1].
Franguloside
Franguloside is found in green vegetables. Franguloside is a glycoside present in rhubarb root and Cascara sagrada. Glycoside present in rhubarb root and Cascara sagrada. Franguloside is found in green vegetables.
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).
Tenitramine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates
Toringin
Occurs in Malus subspecies Chrysin 5-glucoside is found in malus (crab apple) and fruits. Toringin is found in fruits. Toringin occurs in Malus species. Toringin, a bioflavonoid, is isolated from the bark of Docyniopsis tschonoski. Toringin progressively decreases not only the cis-effect of the expanded CTG repeats but cytotoxicity as well. Exposure to isosakuranetin, Toringin rescues PC12 neuronal cells. Flavonoids are efficacious for ameliorating the RNA gain of function caused by expanded CTG repeats, and have various biological activities and beneficial actions against cancers, coronary heart disease, among other pathologies[1].
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.
Pulmatin
Constituent of Rheum palmatum (Turkey rhubarb). Pulmatin is found in green vegetables and garden rhubarb. Pulmatin is found in garden rhubarb. Pulmatin is a constituent of Rheum palmatum (Turkey rhubarb)
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]
C18H24O11 (416.13185539999995)
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] is found in alcoholic beverages. 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] is isolated from Filipendula ulmaria (meadowsweet). Isolated from Filipendula ulmaria (meadowsweet). 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] is found in tea and alcoholic beverages.
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.
(Z)-4',6-Dihydroxyaurone 6-glucoside
(Z)-4,6-Dihydroxyaurone 6-glucoside is found in pulses. (Z)-4,6-Dihydroxyaurone 6-glucoside is isolated from seedlings of Glycine max (soybean). Isolated from seedlings of Glycine max (soybean). (Z)-4,6-Dihydroxyaurone 6-glucoside is found in soy bean and pulses.
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one
Genistein 4'-rhamnoside
Genistein 4-rhamnoside is found in fruits. Genistein 4-rhamnoside is a constituent of Pithecellobium dulce (manila tamarino). Constituent of Pithecellobium dulce (manila tamarino). Genistein 4-rhamnoside is found in fruits.
Iophendylate
C19H29IO2 (416.12122039999997)
Iophendylate is a mixture of isomers used as contrast medium, mainly for brain and spinal cord visualization. Iophendylate is a myelographic oil-ester (U.S. Patent 2,348,231). Iophendylate, which was never shown to be safe, was initially introduced for use in small amounts (1-2cc) for locating spinal tumors. It next appeared on the world scene for high volume (12-15cc), routine use, in diagnosing disc herniations. A number of clinicians have published on the dangers of oil myelography. In 1942 Van Wagenen (a neurosurgical colleague of Warrens, at the University of Rochester) identified Iophendylate as causing chemical meningitis in 30 patients where space-displacing masses within the spinal canal were suspected.
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)
3-(4-Hydroxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(R)-3-[3-(4-Fluorophenylsulphonylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]propionic acid
C21H21FN2O4S (416.12059980000004)
Agelin
C24H29ClO4 (416.17542640000005)
4,5-Dihydro-4-((1-piperazinyl)acetyl)-7-(3-(trifluoromethyl)phenyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile
Doxorubicinolone
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].
1-(2-Chloro-4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-propylurea
C20H21ClN4O4 (416.12512560000005)
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.
Galangin 7-rhamnoside
Isolated from Artocarpus lakoocha (lakoocha). Galangin 7-rhamnoside is found in herbs and spices.
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.
Toringin
7-Hydroxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Malus doumeri and Capsicum annuum with data available. Toringin, a bioflavonoid, is isolated from the bark of Docyniopsis tschonoski. Toringin progressively decreases not only the cis-effect of the expanded CTG repeats but cytotoxicity as well. Exposure to isosakuranetin, Toringin rescues PC12 neuronal cells. Flavonoids are efficacious for ameliorating the RNA gain of function caused by expanded CTG repeats, and have various biological activities and beneficial actions against cancers, coronary heart disease, among other pathologies[1].
Pulmatin
Chrysophanol 8-O-beta-D-glucoside is a beta-D-glucoside in which the aglycone species is chrysophanol, the glycosidic linkage being to the hydroxy group at C-8. It is a beta-D-glucoside and a monohydroxyanthraquinone. It is functionally related to a chrysophanol. Pulmatin is a natural product found in Selaginella delicatula, Rheum palmatum, and other organisms with data available. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1]. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1].
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
Regaloside C
C18H24O11 (416.13185539999995)
Regaloside C is a natural product found in Lilium henryi, Lilium brownii, and other organisms with data available. Regaloside C is a glycerol glucoside isolated from the bulbs of?Lilium genus with anti-inflammatory activities. Regaloside C has cardiomyocyte protective activity by protecting the mitochondria in H2O2-induced heart H9C2 cells[1].
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)
(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
4-[O-alpha-apiofuranosyl-(1->2)-beta-D-glucopyranosyloxy]benzaldehyde
C18H24O11 (416.13185539999995)
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
4-O-(3,4-Dihydroxycinnamoyl)-beta-D-(2R)-1-O-Glucopyranosylglycerol
C18H24O11 (416.13185539999995)
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
5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol
1-O-beta-D-(3-caffeoyl)glucopyranosylglycerol
C18H24O11 (416.13185539999995)
5-methoxy-8,8-dimethyl-10-[(2E)-2-methylbut-2-enoyl]-4-phenyl-2H,8H-pyrano[3,2-g]chromen-2-one|Apetalolide|Apetatolide
Benzyl glycoside-4-O-beta-D-Galactopyranosyl-L-rhamnose
C19H28O10 (416.16823880000004)
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
1-O-beta-D-(6-caffeoyl)glycopyranosylglycerol
C18H24O11 (416.13185539999995)
beta-D-xylopyranosyl(1->2)-7-O-benzoyl-beta-D-glucopyranoside
C18H24O11 (416.13185539999995)
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)
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)
Regaloside K
C18H24O11 (416.13185539999995)
[(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a natural product found in Lilium mackliniae with data available.
(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)
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)
2-[[2-amino-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
(7R)-8-[1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]chrysin
(3Z)-6,7-dihydroxy-4-methoxy-3-(phenylmethylidene)-5-(3-phenylpropanoyl)-1-benzofuran-2(3H)-one|bractelactone
(2S,3S)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
(R)-3-[3-(4-Fluorophenylsulphonylamino)-1,2,3,4-tetrahydrocarbazol- 9-yl]propionic acid
C21H21FN2O4S (416.12059980000004)
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].
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)
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)
(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)
(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)
CAY10471
C21H21FN2O4S (416.12059980000004)
Ramatroban
C21H21FN2O4S (416.12059980000004)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Spiraein (filipendula)
C18H24O11 (416.13185539999995)
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
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
2-(Methylthio)-4-(tributylstannyl)pyrimidine
C17H32N2SSn (416.13080620000005)
2-Methylthio-5-(tributylstannyl)pyrimidine
C17H32N2SSn (416.13080620000005)
fenpiverinium bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
4-(1-(3-FLUOROBENZYL)-1H-INDAZOL-5-YLAMINO)-5-METHYLPYRROLO[1,2-F][1,2,4]TRIAZINE-6-CARBOXYLIC ACID
C22H17FN6O2 (416.13969539999994)
Amosulalol hydrochloride
C18H25ClN2O5S (416.11726300000004)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(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)
Phosphonicacid, [(phenylamino)-4-pyridinylmethyl]-, diphenyl ester (9CI)
C24H21N2O3P (416.12897260000005)
Duvelisib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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)
3-[3-[(4-Fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
C21H21FN2O4S (416.12059980000004)
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)
5-(Benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide
4-Amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methyl-1-piperidinyl)sulfonyl]benzamide
C19H20N4O5S (416.11543500000005)
[3-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl-]-phosphonic acid
9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
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.
N-(5-adenylyl)morpholine
An organic phosphoramidate obtained by formal condensation of the phosphate group of AMP with the amino group of L-morpholine.
[(4S,5R,6S,8S,10R)-10-[(S)-(2,4-dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] hydrogen sulfate
C15H22N5O7S+ (416.12398820000004)
[(4S,5R,6S,8S,10R)-10-[(R)-(2,4-dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] hydrogen sulfate
C15H22N5O7S+ (416.12398820000004)
Chaetoviridin G
An azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum.
4-Epichaetoviridin F
An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbutanoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum.
Phenethyl 2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside
C19H28O10 (416.16823880000004)
4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-one
N-(1-isoquinolinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
C21H19F3N4S (416.12824500000005)
[(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-[[4-(2-Benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone
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
12-oxo-N-(4-phenyl-2-thiazolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylpent-3-yl ester
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
C20H24N4O2S2 (416.13406039999995)
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)
2-[(3S,6aR,8S,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
2-[(3S,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(3R,6aR,8S,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
2-[(3S,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
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)
2-[(1R,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(3R,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C19H26Cl2N2O4 (416.12695360000004)
(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)
4-(3-Methoxybenzoyl)-5-(4-methoxyphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
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)
[(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]beta-D-glucopyranoside
C18H24O11 (416.13185539999995)
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)
ethyl 10-(2-iodophenyl)undecanoate
C19H29IO2 (416.12122039999997)
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]
C18H24O11 (416.13185539999995)
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-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
(8r,9r)-8-benzyl-5,8,9-trihydroxy-6-methyl-4-phenyl-9h-furo[2,3-h]chromen-2-one
methyl 4-(3-formyl-4,6-dihydroxy-2,5-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate
(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
(2r)-1-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C18H24O11 (416.13185539999995)
(2s,3r,4s,5r,6s)-6-{[(2s,3s,4s,5s,6s,7r)-1,3,4,5,6,7-hexahydroxy-8-oxooctan-2-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
1-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
C18H24O11 (416.13185539999995)
(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)
(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
3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
C18H24O11 (416.13185539999995)
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
(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
(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)-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
2-[(2e)-but-2-en-2-yl]-4-hydroxy-5-methylphenyl 2-[(2e)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylbenzoate
(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)
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
5-[(2e)-but-2-en-2-yl]-3-hydroxy-2-methylphenyl 2-[(2e)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylbenzoate
(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)