Exact Mass: 316.0946836
Exact Mass Matches: 316.0946836
Found 500 metabolites which its exact mass value is equals to given mass value 316.0946836,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Byakangelicol
Byakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Byakangelicol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Byakangelicol can be found in lemon, which makes byakangelicol a potential biomarker for the consumption of this food product. Byakangelicol is a member of psoralens. Byakangelicol is a natural product found in Murraya koenigii, Ostericum grosseserratum, and other organisms with data available. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1]. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1].
Neobyakangelicol
Neobyakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Neobyakangelicol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Neobyakangelicol can be found in lemon, which makes neobyakangelicol a potential biomarker for the consumption of this food product. Neobyakangelicol is a member of psoralens. Neobyakangelicol is a natural product found in Murraya koenigii, Angelica japonica, and other organisms with data available.
Isobyakangelicol
Isobyakangelicol is a member of psoralens. Isobyakangelicol is a natural product found in Murraya koenigii and Angelica dahurica var. formosana with data available.
Cajanol
Isolated from fungus-infected stems of Cajanus cajan (pigeon pea). Cajanol is found in pigeon pea and pulses. Cajanol is found in pigeon pea. Cajanol is isolated from fungus-infected stems of Cajanus cajan (pigeon pea
Homoferreirin
Homoferreirin is found in chickpea. Homoferreirin is isolated from Cicer arietinum (chickpea Isolated from Cicer arietinum (chickpea). Homoferreirin is found in chickpea and pulses.
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
C20H13ClN2 (316.07672080000003)
4,6-Dihydroxy-5,7-dimethoxyflavanone
3',5-Dihydroxy-4',7-dimethoxyflavanone
3,5-Dihydroxy-4,7-dimethoxyflavanone is an ether and a member of flavonoids. Persicogenin is a natural product found in Chromolaena odorata, Vitex trifolia, and other organisms with data available. 3,5-Dihydroxy-4,7-dimethoxyflavanone is found in peach. 3,5-Dihydroxy-4,7-dimethoxyflavanone is isolated from Persica vulgaris (peach). Isolated from Persica vulgaris (peach). Persicogenin is found in peach. Persicogenin, isolated from Rhus retinorrhoea, possesses anti-cancer activity[1]. Persicogenin, isolated from Rhus retinorrhoea, possesses anti-cancer activity[1].
Melilotocarpan E
Melilotocarpan E is found in herbs and spices. Melilotocarpan E is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan E is found in herbs and spices and pulses.
2-S-cysteinyl-DOPA
2-S-cysteinyl-DOPA, also known as 2-S-Cysteinyl-3,4-dihydroxyphenylalanine or 2-S-Cysteinyldopa, is classified as a tyrosine or a Tyrosine derivative. Tyrosines are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-S-cysteinyl-DOPA is considered to be slightly soluble (in water) and acidic
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is found in herbs and spices. 5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is from Muscari comosum (tassel hyacinth). From Muscari comosum (tassel hyacinth). 5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is found in herbs and spices.
Hydroxytyrosol 1-O-glucoside
Hydroxytyrosol 1-O-glucoside is found in fruits. Hydroxytyrosol 1-O-glucoside is a constituent of Prunus sp. Constituent of Prunus species Hydroxytyrosol 1-O-glucoside is found in fruits.
Olivin
Olivin is found in olive. Claimed to be isolated from olive leaves Olea europaea, along with a glucoside, but this could not be substantiated. Claimed to be isolated from olive leaves Olea europaea, along with a glucoside, but this could not be substantiated. Olivin is found in olive.
Vanilloloside
Vanilloloside is found in herbs and spices. Vanilloloside is isolated from unripe vanilla pod. Isolated from unripe vanilla pods. Vanilloloside is found in herbs and spices.
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is found in herbs and spices. 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is isolated from Muscari comosum (tassel hyacinth). Isolated from Muscari comosum (tassel hyacinth). 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is found in herbs and spices.
3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone
3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is found in herbs and spices. 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is a constituent of Muscari species. Constituent of Muscari subspecies 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is found in herbs and spices.
Artocarpanone A
Artocarpanone A is found in fruits. Artocarpanone A is a constituent of the roots of Artocarpus heterophyllus (jackfruit). Constituent of the roots of Artocarpus heterophyllus (jackfruit). Artocarpanone A is found in fruits.
5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Melilotocarpan D
Melilotocarpan D is found in herbs and spices. Melilotocarpan D is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan D is found in herbs and spices and pulses.
4',7-Dihydroxy-2',5-dimethoxyisoflavanone
4,7-Dihydroxy-2,5-dimethoxyisoflavanone is found in pulses. 4,7-Dihydroxy-2,5-dimethoxyisoflavanone is isolated from Phaseolus coccineus (scarlet runner bean). Isolated from Phaseolus coccineus (scarlet runner bean). 4,7-Dihydroxy-2,5-dimethoxyisoflavanone is found in pulses and scarlet bean.
Violanone
Violanone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4'-Hydroxyclobazam
C16H13ClN2O3 (316.06146580000006)
4-Hydroxyclobazam is a metabolite of clobazam. Clobazam (marketed under the brand names Frisium, Urbanol and Onfi), is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. (Wikipedia)
5-S-Cysteinyl-D-dopa
N,N'-Bis(salicylidene)-1,2-phenylenediamine
C20H16N2O2 (316.12117159999997)
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2,7-Difluoro-4-methoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
C16H10F2N2O3 (316.06594540000003)
(E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea
C17H17FN2O3 (316.12231440000005)
4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione
Febuxostat
C16H16N2O3S (316.08815860000004)
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor C26170 - Protective Agent > C921 - Uricosuric Agent
(6-Aminoquinolin-2-yl) N-(2,5-dihydroxypyrrol-1-yl)-N-hydroxycarbamate
C14H12N4O5 (316.08076619999997)
Cornoside
Cornoside 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. Cornoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Cornoside can be found in olive, which makes cornoside a potential biomarker for the consumption of this food product.
Hydroxytyrosol 4'-O-glucoside
Hydroxytyrosol 4-o-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Hydroxytyrosol 4-o-glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Hydroxytyrosol 4-o-glucoside can be found in olive, which makes hydroxytyrosol 4-o-glucoside a potential biomarker for the consumption of this food product.
Protocatechuic acid 4-glucoside
Protocatechuic acid 4-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Protocatechuic acid 4-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Protocatechuic acid 4-glucoside can be found in a number of food items such as rosemary, jostaberry, rubus (blackberry, raspberry), and highbush blueberry, which makes protocatechuic acid 4-glucoside a potential biomarker for the consumption of these food products.
1?2?3?7-tetramethoxyxanthone
1,2,3,7-Tetramethoxyxanthone is a natural product found in Polygala tenuifolia and Bupleurum scorzonerifolium with data available.
3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Pendulone
Pendulone is an isoflavonoid. Pendulone is a natural product found in Astragalus mongholicus, Wisteria brachybotrys, and other organisms with data available.
5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene
C17H16O4S (316.07692560000004)
Cornoside
Cornoside is a natural product found in Abeliophyllum distichum, Forsythia suspensa, and other organisms with data available.
7,4-Dihydroxy-8,3-dimethoxyflavanone
A dihydroxyflavanone having the two hydroxy groups located at the C-4 and -7 positions and two additional methoxy substituent at the C-3 and 8-positions.
2-(2-Hydroxy-3-methoxy-5-methylbenzoyl)-4-hydroxy-6-methoxybenzaldehyde
Xanthocillin X dimethyl ether
C20H16N2O2 (316.12117159999997)
Xanthocillin X permethyl ether is a natural compound isolated from fungal extracts, with Aβ-42 lowering activity[1].
7-Methoxy-8-(2-acetoxy-3-methyl-1-oxobut-2-enyl) coumarin
2,4-dihydroxy-6-methoxy-3,4-methylenedioxydihydrochalcone
Cajanol
A hydroxyisoflavanone that is (3S)-isoflavanone substituted by hydroxy groups at positions 5 and 4 and methoxy groups at positions 7 and 2 respectively. It has been isolated from Crotalaria lachnophora.
Violanone
Violanone is an isoflavonoid. Violanone is a natural product found in Dalbergia odorifera with data available.
Homoferreirin
A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and methoxy groups at positions 2 and 4 respectively.
N2-(2-Thienylcarbonyl)-5-(1-hexynyl)-2-furancarbohydrazide
C16H16N2O3S (316.08815860000004)
Nanaomycin A methyl ester
(Z)-5-methoxytrichoclin|5-methoxy-8-(3-hydroxymethyl-but-2-enyloxy)psoralen|Methoxy-8-(3-hydroxymethyl-but-2-enyloxy)-psoralen
3-methoxy-6-methyl-5,7,4-trihydroxyflavanone|6-methyl homoeriodictyol
1-O-(2,5-Dihydroxy-benzoyl)-beta-D-glucopyranose|O1-Gentisoyl-beta-D-glucopyranose
2-Phenethyl-4-[(E)-(1H-indole-3-yl)methylene]-2-oxazoline-5-one
C20H16N2O2 (316.12117159999997)
4-beta-D-glucosyl-3-hydroxyphenylethanol|hydroxytyrosol 4-beta-D-glucoside
1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-1,3-propanedione
(3R,4S,6S,10R)-10-bromo-3,11,11-trimethyl-7-methylidenespiro[5.5]undecane-3,4-diol
C15H25BrO2 (316.10378099999997)
4-Hydroxy-gammar-snyderol|8-Hydroxy-gamma-snyderol
C15H25BrO2 (316.10378099999997)
6-methyl-2,4-dihydroxyphenyl-4-O-methyl-1-beta-D-glucopyranoside
7-Methoxy-8-(1-acetoxy-3-methyl-2-oxo-3-butenyl)-2H-1-benzopyran-2-one
2-O-(3,4,5-Trihydroxybenzoyl)-scyllo-Quercitol|2-O-galloyl-scyllo-quercitol
4,6-Di-Me ether-1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione|4,6-dimethoxy-beta,4,2-trihydroxy-(Z)-chalcone
4-Hydroxy-beta-snyderol|8-Hydroxy-beta-snyderol
C15H25BrO2 (316.10378099999997)
Emerin|Xanthocillin X dimethyl ether
C20H16N2O2 (316.12117159999997)
(5R*,8S*,9S*)-9-(3,4-dihydroxyphenyl)-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulene-2,3,9-triol|sinensigenin A
3-methoxy-1,4-hydroquinone 1-(4-O-methyl-beta-glucopyranoside)|4-hydroxy-3-methoxyphenyl 4-O-methyl-beta-glucopyranoside
protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid-3-glucoside
O-??-D-Glucopyranoside-4-Hydroxy-2-isopropylidene-5-methyl-3(2H)-furanone
5,6-Dimethoxy-7-phenyl-phenalenon|5,6-Dimethoxy-7-phenylalenon|Lachnanthocarpondimethylether
4,4-dihydroxy-2-methyl-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin L
(2R,3R)-3,7-dihydroxy-5,6-dimethoxyflavanone|pisonivanol
9-methoxy-4-(3-methyl-2-oxo-butoxy)-furo[3.2g]chromane-7-one
(3R)-5,7,8-trihydroxy-3-(4-hydroxybenzyl)-6-methylchroman-4-one|odoratumone B
eleuthinone A|[8-methoxy-1,4-dioxo-3-(2-oxopropyl)-1,4-dihydronaphthalen-2-yl]acetic acid methyl ester
(2E)-1-(3,4-dihydroxyphenyl)-3-(4-hydroxy-2,6-dimethoxyphenyl)prop-2-en-1-one|3,4,4-trihydroxy-2,6-dimethoxychalcone
2-(beta-D-glucopyranosyloxy)-3-hydroxybenzoic acid|2-(beta-D-glucopyranosyloxy)-6-hydroxy benzoic acid
4-O-beta-D-Glucopyranoside-3,4,5-Trihydroxybenzaldehyde
2,4-dimethoxyphenol 1-O-beta-D-glucoside|2,4-dimethoxyphenyl-1-beta-D-glucoside
1-Hydroxy-3,8-dimethoxy-4-(2-hydroxyethyl)-9H-xanthene-9-one
4-(3,3-Dimethylglycidyloxy)-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
4-hydroxy-3-methoxy benzyl-beta-D-glucoside|vanillyl alcohol-7-O-beta-D-glucopyranoside
3-hydroxy-5-methoxy-4-methylphenyl-beta-D-glucopyranoside
(R)-5,6-dihydroxy-7-methoxy-3-(4-hydroxybenzyl)chroman-4-one
3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-(3,4-dihydroxy-phenyl)-ethyl ester
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
2,7-Anhydro,4,5-O-isopropylidene,1,3-di-Ac-beta-D-Pyranose-altro-2-Heptulose
6-Methoxy-5-(3-hydroxy-2-oxo-3-methyl-butyl)-angelicin
(6aR,11aR)-3,8-dihydroxy-9,10-dimethoxypterocarpan
5,7-Dihydroxy-6-methoxy-3-(alpha-hydroxybenzyl)chroman-4-one
2-Acetyl-6-methyl-6-methoxy-6H-dibenzo[b,d]pyran-1,7,10-triol
8-[(acetyloxy)methyl]-6,9-dihydro-5-hydroxy-2-methyl-4H-pyrano[3,2-h][1]benzoxepin-4-one|prenyletin|Ptaeroxylinolacetat
(1R*,5R*,6R*,8S*,9S*)-8-bromo-1,6-epoxy-5-isopropyl-3,3,9-trimethylbicyclo[4.3.0]nonan-9-ol
C15H25BrO2 (316.10378099999997)
3-methoxy-1,4-hydroquinone 4-(4-O-methyl-beta-glucopyranoside)|4-hydroxy-2-methoxyphenyl 4-O-methyl-beta-glucopyranoside
1,2-Dihydro,6,8-di-Me ether-1,3,6,8-Tetrahydroxy-2-methylanthraquinone|1,2-dihydro-1,3-dihydroxy-6,8-dimethoxy-2-methyl-anthraquinone|1,2-dihydro-1,3-dihydroxy-6,8-dimethoxy-2-methylanthraquinone
7-Methoxy-8-(2-acetoxy-3-methyl-2-butenoyl)-2H-1-benzopyran-2-one
methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4-(2-hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one
SPA-5DC (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from HAL_N: mz315_05_rt4_87_HCD60_SPA-5DC; CONFIDENCE Tentative identification: isomers possible (Level 3)
C14H20O8_2-Hydroxy-4-(2-hydroxyethyl)phenyl beta-D-glucopyranoside
C14H20O8_beta-D-Glucopyranoside, 4-(hydroxymethyl)-2-methoxyphenyl
methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate_major
Vanilloloside
A natural product found in Acer saccharum.
3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone
8-O-Demethyl-7-O-methyl-3,9-dihydropunctatin
3-Hydroxy-3,9-dihydroeucomin
(2S,3S)-3,7,4-trihydroxy-5-methoxy-6-methylflavanone
1-(1,2-difluoro-2-naphthalen-1-ylethenyl)naphthalene
1,1,2,2-Ethenetetracarboxylicacid, 1,1,2,2-tetraethyl ester
1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-O-(2-Methoxyethyl)-5-methyluridine
2'-O-MOE-5-Me-rU is an active compound. 2'-O-MOE-5-Me-rU can be used for oligonucleotide synthesis[1].
methyl (E)-3-methoxy-2-[2-(6-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enoate
(2,5-diamino-4-benzoylphenyl)-phenylmethanone
C20H16N2O2 (316.12117159999997)
1-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
C18H17FO4 (316.11108140000005)
4-AMINO-1-N-BOC-5,7-DICHLORO-1,2,3,4-TETRAHYDROQUINOLINE
(4-Furan-2-yl-[4,5]bipyrimidinyl-2-yl)-pyridin-3-yl-amine
tert-butyl 4-[5-(chloromethyl)thiazol-2-yl]piperidine-1-carboxyla te
C14H21ClN2O2S (316.10121960000004)
2-benzofuran-1,3-dione,ethane-1,2-diol,2-(2-hydroxyethoxy)ethanol
[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate
1,6-Anhydro-4-O-p-toluenesulfonyl-β-D-glucopyranose
6-amino-2-(2,4-dimethylphenyl)-1H-benz[de]isoquinoline-1,3(2H)-dione
C20H16N2O2 (316.12117159999997)
Ticarbodine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Bis(Tetramethylene)Fluoroformamidinium Hexafluorophosphate
Methyl 2-(4’-Acetoxy-2-fluoro-biphenyl-4-yl)-propionate
C18H17FO4 (316.11108140000005)
3,5-bis-benzyloxy-pyridine-2-carbonitrile
C20H16N2O2 (316.12117159999997)
Ethyl 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidi necarboxylate
2-Chloro-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
C13H17ClN2O3S (316.06483620000006)
1-hexyl-3-methylimidazolium trifluoromethanesulfonate
C11H19F3N2O3S (316.10684200000003)
4-Chloro-6-methoxy-7-(4-methyl-1-piperazinyl)-3-quinolinecarbonit rile
5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
C17H16O4S (316.07692560000004)
(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
C14H13BN2O4S (316.06890480000004)
1-anilinonaphthalene-8-sulfonic acid ammonium salt
C16H16N2O3S (316.08815860000004)
Methyl-2-C-(trifluoromethyl)-alpha-D-ribofuranoside-3,5-diacetate
3-(N-2-fluorobenzoylcarbamimidoyl)-benzoic acid methyl ester
JNJ 63533054
JNJ-63533054 is a potent, selective and orally active GPR139 agonist with an EC50 of 16 nM for human GPR139 (hGPR139). JNJ-63533054 shows selective for GPR139 over other GPCRs, ion channels, and transporters. JNJ-63533054 can cross the blood-brain barrier (BBB)[1][2].
2-Chloro-4-(naphthalen-1-yl)-6-phenyl-pyrimidine
C20H13ClN2 (316.07672080000003)
methyl 4-(4-ethoxyphenoxycarbonyl)phenyl carbonate
3-[(2-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
tert-butyl N-[2-[(2-chloro-3-nitropyridin-4-yl)amino]ethyl]carbamate
2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate
C17H16O4S (316.07692560000004)
[(2S)-2-[(2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate
3-(BENZYLOXYCARBONYLAMINO)-5-NITROPHENYL]BORONIC ACID
Tinoridine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid
C13H20N2O5S (316.10928700000005)
5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid
2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea
C17H17FN2O3 (316.12231440000005)
Spiro(9H-fluorene-9,4-imidazolidine)-2,5-dione, 2,7-difluoro-4-methoxy-
C16H10F2N2O3 (316.06594540000003)
1-Fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
C18H17FO2S (316.09332340000003)
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
C16H16N2O3S (316.08815860000004)
Pisonivanol
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3 and 7 and methoxy groups at positions 5 and 6. It has been isolated from Pisonia aculeata.
2-[[Anilino(oxo)methyl]amino]-4,5-dimethoxybenzoic acid
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
(4aR,5S,8R)-9-(pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
C16H16N2OS2 (316.07040059999997)
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
C16H13ClN2O3 (316.06146580000006)
1-(2-Chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol
2-Chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
C16H13ClN2O3 (316.06146580000006)
Trisilane, 1,1,1,3,3,3-hexamethyl-2-(trifluoromethyl)-2-(trimethylsilyl)-
(2R,3R,4R)-1-[(2R)-2,4-dihydroxy-3-(trioxido-lambda4-sulfanyl)oxybutyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
Febuxostat
C16H16N2O3S (316.08815860000004)
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor C26170 - Protective Agent > C921 - Uricosuric Agent
Byakangelicol
Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1]. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1].
2-(3,4-Dimethyloxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
9-(Chloromethyl)-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
2-(3,4-dihydroxyphenyl)-ethyl-O-beta-D-glucopyranoside
A beta-D-glucoside having hydroxytyrosol as the anomeric substituent. Isolated from Zantedeschia aethiopica and Picrorhiza scrophulariiflora, it exhibits antioxidant activity.
(3R)-3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
(2S)-2-azaniumyl-3-[2-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-3,4-dihydroxyphenyl]propanoate
S-(hercyn-2-yl)-L-cysteine thio-ether
C12H20N4O4S (316.12052000000006)
(2E,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile
C20H16N2O2 (316.12117159999997)
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
C16H16N2O3S (316.08815860000004)
(3S)-5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
(2S,3R,4S,5S,6R)-2-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1-Deoxy-1-({2,6-Dioxo-5-[(E)-(2-Oxoethylidene)amino]-1,2,3,6-Tetrahydropyrimidin-4-Yl}amino)-D-Ribitol
N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
C13H17ClN2O3S (316.06483620000006)
2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid
variecolorquinone B
An aromatic ester that is methyl 2-hydroxy-4-methylbenzoate attached to a (6-methoxy-1,4-benzoquinon-2-yl)methyl group at position 6. Isolated from Aspergillus variecolor, it exhibits cytotoxic activity.
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
C20H16N2O2 (316.12117159999997)
1-(4-Acetylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
C17H17FN2OS (316.10455640000004)
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide
N-(3-fluorophenyl)-2-pyridin-4-yl-4-quinazolinamine
(4-Methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone
C16H16N2OS2 (316.07040059999997)
3-Oxo-2-[(6-oxo-1-phenyl-3-pyridazinyl)oxy]butanoic acid ethyl ester
N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
C16H16N2O3S (316.08815860000004)
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide
C16H13ClN2O3 (316.06146580000006)
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
C16H16N2O3S (316.08815860000004)
N-[2-(2-furyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-thiophenecarboxamide
C16H16N2O3S (316.08815860000004)
Furane-2-carbohydrazide, 5-(1-hexynyl)-N2-(2-thenoyl)-
C16H16N2O3S (316.08815860000004)
2-Amino-7-methyl-4-phenyl-thieno[2,3-b;4,5-b]dipyridine-3-carbonitrile
C18H12N4S (316.07826320000004)
3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one
C16H16N2OS2 (316.07040059999997)
1-[2-[(2-Methylphenyl)methylthio]ethyl]-3-phenylthiourea
4-[[(4-Oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester
C16H16N2O3S (316.08815860000004)
N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide
C20H16N2O2 (316.12117159999997)
N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide
3-(1,3-Benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
C16H16N2O3S (316.08815860000004)
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
4-[(3-Fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid
C17H17FN2O3 (316.12231440000005)
4-[1-[(3-Chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone
C16H13ClN2O3 (316.06146580000006)
5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester
C14H15F3N2O3 (316.10347160000003)
2-Furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanone
C14H15F3N2O3 (316.10347160000003)
(3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one
N-(6-butyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
C16H16N2OS2 (316.07040059999997)
5-hydroxy-N-[2-[[(5-hydroxy-3-pyridinyl)-oxomethyl]amino]propyl]-3-pyridinecarboxamide
3,4,5-Trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] butanoate
C10H21O9P (316.09231460000007)
4-(N-(N,N-Dimethylcarbamoyl)amino)phenoxymethyl 3-methylphenyl sulfide
Biacangelicol
Byakangelicol is a member of psoralens. Byakangelicol is a natural product found in Murraya koenigii, Ostericum grosseserratum, and other organisms with data available. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1]. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1].
Neobyakangelicol
Neobyakangelicol is a member of psoralens. Neobyakangelicol is a natural product found in Murraya koenigii, Angelica japonica, and other organisms with data available.
2,5-dihydroxybenzoic acid 5-O-beta-D-glucoside
A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.
2-S-cysteinyl-DOPA
An L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma.
2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside
A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 2 has been replaced by a beta-D-glucosyl residue.
2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid
ACA-28
ACA-28 (compound 2a) is a potent ERK MAPK signaling modulator. ACA-28 selectively inhibits cancer cell growth by inducing apoptosis with ERK hyperactivation ACA-28 inhibits cell growth of melanoma cells (SK-MEL-28) and normal melanocytes (NHEM), with IC50 values of 5.3 and 10.1 μM, respectively[1].
H4 Receptor antagonist 1
H4 Receptor antagonist 1 is a potent and selective histamine H4 receptor inverse agonist, with an IC50 of 19 nM.
McN-A-343
McN-A-343 is a selective M1 muscarinic agonist that stimulates muscarinic transmission in sympathetic ganglia. McN-A-343 reduces inflammation and oxidative stress in an experimental model of ulcerative colitis[1][2]. McN-A-343 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
NSC 146109 (hydrochloride)
NSC 146109 hydrochloride is a small-molecule p53 activator that target MDMX and can be used for breast cancer research. NSC 146109 hydrochloride is a pseudourea derivative, promotes breast cancer cells to undergo apoptosis through activating p53 and inducing expression of proapoptotic genes[1].