Exact Mass: 342.152999
Exact Mass Matches: 342.152999
Found 500 metabolites which its exact mass value is equals to given mass value 342.152999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Magnoflorine
C20H24NO4+ (342.17052440000003)
(S)-magnoflorine is an aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group. It has a role as a plant metabolite. It is an aporphine alkaloid and a quaternary ammonium ion. It is functionally related to a (S)-corytuberine. Magnoflorine is a natural product found in Zanthoxylum myriacanthum, Fumaria capreolata, and other organisms with data available. See also: Caulophyllum thalictroides Root (part of).
Phellodendrine
C20H24NO4+ (342.17052440000003)
Phellodendrine is an alkaloid. Phellodendrine is a natural product found in Phellodendron chinense, Phellodendron chinense var. glabriusculum, and other organisms with data available.
Coniferin
Coniferin (CAS: 531-29-3), also known as abietin or coniferoside, belongs to the class of organic compounds known as phenolic glycosides. These 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. Coniferin is an extremely weak basic (essentially neutral) compound (based on its pKa). Coniferin is a monosaccharide derivative consisting of coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Coniferin is found in asparagus and has been isolated from Scorzonera hispanica (black salsify). Coniferin is a monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It has a role as a plant metabolite. It is a cinnamyl alcohol beta-D-glucoside, an aromatic ether and a monosaccharide derivative. It is functionally related to a coniferol. Coniferin is a natural product found in Salacia chinensis, Astragalus onobrychis, and other organisms with data available. A monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Scorzonera hispanica (scorzonera) Coniferin (Laricin) is a glucoside of coniferyl alcohol. Coniferin inhibits fungal growth and melanization[1]. Coniferin (Laricin) is a glucoside of coniferyl alcohol. Coniferin inhibits fungal growth and melanization[1].
Phaseollidin hydrate
A member of the class of pterocarpans that is phaseollidin in which the prenyl group is replaced by a 3-hydroxy-3-methylbutyl group.
Penicillin K
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-linalylflaviolin
A hydroxy-1,4-naphthoquinone that is flaviolin in which the hydrogen at position 3 is replaced by a linalyl group.
Clozapine N-oxide
Clozapine N-oxide is a metabolite of clozapine. Clozapine (sold as Clozaril, Gen-Clozapine in Canada, Azaleptin, Leponex, Fazaclo, Froidir; Denzapine, Zaponex in the UK; Klozapol in Poland, Clopine in Australia and New Zealand) is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also used off-label in the treatment of bipolar disorder. Wyatt. R and Chew. (Wikipedia) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Clozapine N-oxide is a major metabolite of Clozapine and a human muscarinic designer receptors (DREADDs) agonist. Clozapine N-oxide activates the DREADD receptor hM3Dq and hM4Di. Clozapine N-oxide can cross the blood-brain barrier[1][2][3][4]. Clozapine is a potent dopamine antagonist and also a potent and selective muscarinic M4 receptor (EC50=11 nM) agonist[5][6].
Citrusin D
Citrusin D is found in citrus. Citrusin D is isolated from Citrus limon (lemon), Citrus unshiu (Satsuma mandarin), Fortunella japonica (round kumquat) and Pinus sylvestris (Scotch pine). Isolated from Citrus limon (lemon), Citrus unshiu (Satsuma mandarin), Fortunella japonica (round kumquat) and Pinus sylvestris (Scotch pine). Citrusin D is found in citrus and fruits.
Sphalleroside A
Sphalleroside A is found in herbs and spices. Sphalleroside A is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). Sphalleroside A is found in herbs and spices.
7-Hydroxyaustrobailignan 5
Saururinol is found in herbs and spices. Saururinol is a constituent of Myristica fragrans (nutmeg).
Jasmolone glucoside
Jasmolone glucoside is found in herbs and spices. Jasmolone glucoside is a constituent of Mentha spicata var. crispa (spearmint). Constituent of Mentha spicata variety crispa (spearmint). Jasmolone glucoside is found in tea and herbs and spices.
Veranisatin A
Veranisatin A is found in fruits. Veranisatin A is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Veranisatin A is found in fruits.
1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol
1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol is found in fruits. 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol is isolated from the rhizomes of Musa acuminata (dwarf banana) infected with Fusarium oxysporum. Isolated from the rhizomes of Musa acuminata (dwarf banana) infected with Fusarium oxysporum. 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol is found in fruits.
Austrobailignan 7
Machilin F is found in herbs and spices. Machilin F is a constituent of mace (Myristica fragrans). Constituent of mace (Myristica fragrans). Machilin F is found in herbs and spices.
4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside
4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside is found in herbs and spices. 4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). 4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside is found in tea and herbs and spices.
Hydroxygaleon
Hydroxygaleon is found in herbs and spices. Hydroxygaleon is a constituent of Myrica gale (bog myrtle)
Myzodendrone
Myzodendrone is found in fruits. Myzodendrone is isolated from raspberries. Isolated from raspberries. Myzodendrone is found in fruits.
3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione
3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione is found in alcoholic beverages. 3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione is an autoxidation product of Humulone
Penicillin K
3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
Tame
C14H22N4O4S (342.13616920000004)
magnoflorine
C20H24NO4 (342.17052440000003)
Magnoflorine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Magnoflorine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Magnoflorine can be found in a number of food items such as carob, other cereal product, durian, and japanese chestnut, which makes magnoflorine a potential biomarker for the consumption of these food products. Magnoflorine is a chemical compound isolated from the rhizome of Sinomenium acutum and from Pachygone ovata. It is classified as an aporphine alkaloid .
Chicanin
4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol is a natural product found in Schisandra sphenanthera, Leucas aspera, and Piper kadsura with data available.
Wulignan A1
Wulignan A1 is a natural product found in Schisandra henryi, Schisandra sphenanthera, and Schisandra arisanensis with data available.
Brosimacutin C
4-[10-Hydroxy-oxo-7,9-dehydro-6,7-dihydrogeranyloxy]-5-methylcoumarin
2,3,9-Trimethyl-3-[2-(3,3-dimethyloxiranyl)-2-oxoethyl]-2,3-dihydro-4H-furo[3,2-c][1]benzopyran-4-one
Cyclanoline
C20H24NO4+ (342.17052440000003)
A charged berberine alkaloid obtained by N-methylation of (S)-scoulerine.
1-((1-(Benzoyloxy)propan-2-yl)oxy)propan-2-yl benzoate
(8Z,10S,12E)-5-oxocembra-4(18),8,12,16-tetraene-15,14;19,10-diolide|4(18)-methylene-5-oxovatodiolide
4-(3,4-dihydroxyphenyl)-butan-2-one-4-O-beta-D-glucoside
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,4,17beta-triol
1-(2,3-dihydro-6-hydroxy-2-phenyl-4-benzofuran yl)-3-phen yl-2-propen-1-one
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,16beta,17beta-triol
rel-(7R,8R,1S,3S)-Delta5,8-5-methoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-2,4-dioxo-7.3,8.1-neolignan
3-(5-allyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenoxy)propene|tulsinol G
5-Methoxy-8,8-dimethyl-10-(prenyloxy)-2H,8H-benzo[1,2-b:5,4-b]dipyran-2-one
4-Methyl-5,5-<(1-methyltrimethylen)di>(methylnicotinate)|4-Methyl-5,5-[(1-methyltrimethylen)di](methylnicotinate)|Alkaloid LA 4
(3S,8S)-3,8-dihydroxydec-9-en-4,6-diyne-1-yl-beta-D-glucopyranoside|3(?卢),8(?卢)-Dihydroxydec-9-en-4,6-yne-1-O-??-D-glucopyranoside
7beta,19-dihydroxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone
15,16-Epoxy-1,13(16),14-clerodatriene-17,12:18,19-diolide
2-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,11beta,17beta-triol
(4E)-1,5-bis(4-hydroxyphenyl)-1-ethoxy-2-(methoxymethyl)-4-pentene
3a-Allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3,3a,4,5-tetrahydro-1-benzofuran-6(2H)-one #
8beta-(beta-furoyloxy)-5beta-H,10alpha-methyleudesma-4(15),11-dien-cis-6,12-olide
3,5-bis-(3,3-dimethylallyl)-coumaric acid acetate|3,5-bis-<3,3-dimethylallyl>-coumaric acid acetate
dehydrodiooniferyl alcohol|dehydrodiooniferylalcohol|DHCA
2-methoxy-4-(1-propionyl)phenyl beta-D-glucopyranoside
6beta-angeloyloxy-2-oxoeremophil-1(10),7(11),8-trien-12,8-olide|virgaurenolide A
(E)-3-(4-beta-D-glucopyranosyloxy-3-methoxyphenyl)-2-propen-1-ol
1-O-(4-hydroxyphenethyl)-beta-D-glucopyranoside 6-acetate
(2S,7E)-7-hydroxy-2-phenyl-5-styrylchroman-4-one|communin B
(2S,3R)-5-allyl-7-methoxy-3-hydroxymethyl-2-(3-methoxy-4-hydroxyphenyl)-2,3-dihydrobenzofuran
(1S,4S)-1,3,4,6-tetrahydro-3,6-dioxo-1-(2-methylpropyl)-2H-pyrazino[2,1-b]quinazoline-4-propanamide|anacine|anacine A
2-oxo-8alpha-senecioyloxy-5betaH,6alphaH-guai-1(10),3,7(11)-trien-6,12-olide
7-(3,7-dimethyl-6-keto-octa-2,7-dienyloxy)-8-methoxycoumarin|schininallylole
(-)-2-methoxy-4-(1-propionyl)phenyl beta-D-glucopyranoside|2-methoxy-4-propionylphenyl beta-D-glucopyranoside|3-methoxy-4-beta-D-glucopyranosyloxypropiophenone|4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl-propanone|baihuaqianhuoside
(11beta)-6,11-dihydroxy-7,20-dioxo-ent-abieta-5,8(14),15(17)-trien-16-oic acid delta-lactone|(1S,5R,12aR,12bS)-1,3,4,5,7,9,10,11,12,12b-decahydro-8-hydroxy-9,9-dimethyl-4-methylene-3,7-dioxo-1,5-methano-12aH-naphth[1,2-c]oxocin-12a-carbaldehyde|xerophilusin R
16beta,17beta-epoxy-12beta-hydroxypregna-4,6-diene-3,20-dione
(8R,8S)-7-(3,4-methylenedioxyphenyl)-8-methyl-8-hydroxymethyl-7-(3,4-methylenedioxyphenyl)-butanol|2-Methyl-3-oxomethyl-1,4-bis-(3,4-methylendioxy-phenyl)-butan, Cubafuol
(1R,2R,4R)-1,2,4-trihydroxy-1,2,3,4-tetrahydronaphthalene-1-O-beta-D-glucopyranoside|cyclonoside A
12,16-epoxy-11,14,18-trihydroxy-18(4->3)-abeo-abieta-3,5,8,11,13-pentaen-7-one|ajudecumin C
(7R,8R)-Delta8-4-hydroxy-3,5-dimethoxy-7.O.3,8.O.4-neolignan
(7R,7R)-8(8)-ene-4,4-dihydroxy-3,3-dimethoxy-7,7-epoxylignan|ribesin B
dihydroconiferyl alcohol 4-O-beta-D-glucopyranoside
(7S,7S,8R)-8(9)-ene-4,4-dihydroxy-3,3-dimethoxy-7,7-epoxylignan|ribesin D
deca-9-en-4,6-diyne-1,8-diol-1-yl-beta-D-glucopyranoside
(3S,4R,16S)-3,4:12,16-diepoxy-11,14-dihydroxy-17(15?16),18(4?3)-diabeo-abieta-5,8,11,13-tetraene-7-one|trichotomone F
(?)-(6aR,11aR)-3,9-dihydroxy-8-(3-hydroxy-3-methylbutyl)-pterocarpan
triptobenzene K
A tetracyclic diterpenoid with formula C20H22O5, originally isolated from the dried root outer bark of Tripterygium hypoglaucum.
(2R)-3,4-epoxy-2-hydroxy-1-(4-hydroxyphenyl)-7-(3-methoxyphenyl)heptan-3-one
12-hydroxy-11,14-diketo-6,8,12-abietatrien-19,20-olide
L-2,5-Di-nicotinoylamino-valeriansaeure|N2,N5-Dinicotinoyl-ornithin|N2,N5-dinicotinoyl-ornithine
C17H18N4O4 (342.13279880000005)
8beta-(beta-furoyloxy)-5beta-H,10alpha-methyleudesma-3,11-dien-cis-6,12-olide
(11beta,20S)-11,20-Dihydroxy-3-oxopregna-1,4-dien-18-oic acid 18,20-lactone
15-carboxamido-3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine
all-trans-crocetin-monomethyl ester|alpha-Crocetinmonomethylester|crocetin monomethyl ester
12,16-epoxy-6,11,14-trihydroxy-17(15-16)abeo-5,8,11,13,15-abietapentaen-7-one
(2S,3R,4S,5R,Z)-3,4-dihydroxy-7-[(R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]hept-6-ene-2,5-diyl diacetate|Synrotolide
2-glucopyranosyl-4-(4-methoxyphenyl)butane|4-(4-methopxyphenyl)-butane-2-O-beta-D-glucopyranoside|[(Xi)-3-(4-Methoxy-phenyl)-1-methyl-propyl]-beta-D-glucopyranosid|[(Xi)-3-(4-methoxy-phenyl)-1-methyl-propyl]-beta-D-glucopyranoside
Neotriptophenolide
Neotriptophenolide is a tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum It has a role as a plant metabolite. It is a gamma-lactone, an aromatic ether, a member of phenols, an organic heterotetracyclic compound and a tetracyclic triterpenoid. Neotriptophenolide is a natural product found in Tripterygium hypoglaucum and Tripterygium wilfordii with data available. A tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum
3alpha-hydroxy-13alpha-(furan-3-yl)-11-keto-apian-8-en-(20,6)-olide|3alpha-hydroxy-13beta-furan-11-keto-apian-8-en-(20,6)-olide
15-O-acetyl-3-deoxy-11alpha-hydroxy-13-chloro-11,13-dihydroamphoricarpolide
C17H23ClO5 (342.12339380000003)
7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
(3R)-2,3-dihydro-7-hydroxy-5-methoxy-3-(4-methoxybenzyl)-6,8-dimethyl-4H-chromen-4-one|5-O,8-dimethylophiopogonanone B
3,5-Dimethyl-4-[(3-methylbutyryloxy)methyl]-9-methoxy-5,6-dihydronaphtho[2,3-b]furan
trans-coniferyl alcohol 3-O-beta-D-glucopyranoside
(Z)-5-hydroxyjasmone 5-O-beta-D-glucopyranoside|(Z)-5-Hydroxyjasmone 5-O-??-D-glucopyranoside
3-beta-glucopyranosyloxy-1-(4-hydroxyphenyl)-butanone
6-O-(5-Vinylnicotinoyl)tetrahydrocantleyine|O-(vinyl-5-nicotinoyl)-6-tetrahydrocantleyine
Lepidiline C
Lepidiline C shows cytotoxic activity against HL-60 cells with an IC50 of 27.7 μM.
Citrusin D
(E)-Isoconiferin is a natural product found in Codonopsis cordifolioidea, Picea abies, and other organisms with data available.
Praeroside
Praeroside is a natural product found in Iodes cirrhosa, Glehnia littoralis, and Baccharis dracunculifolia with data available.
Humantendine
beta-Crocetin
beta-Crocetin is a natural product found in Crocus sativus with data available.
11-Dehydroxygrevilloside B
[(E)-3-acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate
4-hydroxy-5-methyl-3-[2-methyl-1-(4-methyl-5-oxooxolan-2-yl)but-3-en-2-yl]chromen-2-one
9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
Magnoflorine
[C20H24NO4]+ (342.17052440000003)
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
C21H26O4_4-Allyl-1-{[1-(3,4-dimethoxyphenyl)-2-propanyl]oxy}-2-methoxybenzene
Abietin
Coniferin (Laricin) is a glucoside of coniferyl alcohol. Coniferin inhibits fungal growth and melanization[1]. Coniferin (Laricin) is a glucoside of coniferyl alcohol. Coniferin inhibits fungal growth and melanization[1].
(2R,3R,4S,5S,6R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
[(E)-3-acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate
Clozapine N-oxide
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Clozapine N-oxide is a major metabolite of Clozapine and a human muscarinic designer receptors (DREADDs) agonist. Clozapine N-oxide activates the DREADD receptor hM3Dq and hM4Di. Clozapine N-oxide can cross the blood-brain barrier[1][2][3][4]. Clozapine is a potent dopamine antagonist and also a potent and selective muscarinic M4 receptor (EC50=11 nM) agonist[5][6].
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based on: CCMSLIB00000848984]
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based: Match]
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based on: CCMSLIB00000848983]
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-pentylchroman-4-one
[(E)-3-acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate_major
(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione_major
3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione
Hydroxygaleon
Sphalleroside A
Jasmolone glucoside
4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside
Citrusin D
Veranisatin A
1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol
(E)-1,2-bis(6-methoxyquinolin-4-yl)ethene
C22H18N2O2 (342.13682079999995)
(3E)-1,2-Dihydroxy-1-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-3-heptene-5,6-diyl diacetate
Dracocephalumoid B
(2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
(R)-benzyl 1-(benzylamino)-3-Methoxy-1-oxopropan-2-ylcarbamate
4-CHLORO-N-(4-(4-METHYLPIPERAZIN-1-YL)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
4-CHLORO-N-(3-(4-METHYLPIPERAZIN-1-YL)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
1-(Methylamino)-4-p-toluidinoanthraquinone
C22H18N2O2 (342.13682079999995)
1,6-diisocyanatohexane,1,3-diisocyanato-2-methylbenzene
C17H18N4O4 (342.13279880000005)
N-(5-ETHYNYL-2-METHYLPHENYL)-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE
C22H18N2O2 (342.13682079999995)
7-METHOXY-4-(2-(PYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE
C21H18N4O (342.14805379999996)
Sodium dibunate
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
4-(3,4-dichlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine
C17H24Cl2N2O (342.12655939999996)
Benzyl 1-Benzyl-1H-indazole-3-carboxylate
C22H18N2O2 (342.13682079999995)
YM 298198 HYDROCHLORIDE
2-ANILINO-4,6-BIS(MORPHOLINO)-1,3,5-TRIAZINE
C17H22N6O2 (342.18041519999997)
1-BOC-5-FLUOROSPIRO[INDOLINE-3,4-PIPERIDINE] HYDROCHLORIDE
C17H24ClFN2O2 (342.15102459999997)
oxyphenbutazone hydrate
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
1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline
1H-Indole-1,5-dicarboxylic acid, 3-(1-cyano-1-methylethyl)-, 1-(1,1-dimethylethyl) 5-methyl ester
(1-Methyl-4-piperidinyl) {3[2-(3-chlorophenyl) ethyl ]2-pyridinyl} methanone
4-ANILINO-1-BENZOYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
LY 404187
LY-404187 is a potent, selective and centrally active positive allosteric modulator of AMPA receptors, with the EC50s of 5.65, 0.15, 1.44, 1.66 and 0.21 μM for GluR1i, GluR2i, GluR2o, GluR3i and GluR4i, respectively. LY-404187 has therapeutic potential in a number of psychiatric disorders and neurodegenerative diseases[1][2].
ETHYL 2-(4-(BENZYLOXY)-2-FORMYLPHENOXY)-2-METHYLPROPANOATE
benzyl 4-(3-nitropyridin-2-yl)piperazine-1-carboxylate
C17H18N4O4 (342.13279880000005)
4-Fluoro-2-methoxy-5-isopropyl-4-trifluoromethyl-1,1-biphenyl-2- methanol
(S)-3-(BENZYL(METHYL)AMINO)-2-(BENZYLOXYCARBONYLAMINO)PROPANOIC ACID
Tetrahydrodemethoxydiferuloylmethane
6-Benzyl-3-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[2.2.1]heptane
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-[(4-fluorophenyl)methyl]-N-methyl- (9CI)
3,4-DI(FURAN-2-YL)-1-(PYRIDIN-2-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE
C22H18N2O2 (342.13682079999995)
(6α,9β,11β)-9,11-Epoxy-6-fluoropregna-1,4,16-triene-3,20-dione
C21H23FO3 (342.16311399999995)
Tert-butyl 6-(benzyloxy)-4-fluoro-1H-indazole-1-carboxylate
C19H19FN2O3 (342.13796360000003)
ETHYL 5-[[AMINO(IMINO)METHYL]AMINO]-2-(BENZOYLAMINO)PENTANOATE HYDROCHLORIDE
C15H23ClN4O3 (342.14585980000004)
N,N-DIBOC-2-CHLORO-4-AMINOANILINE
C16H23ClN2O4 (342.13462680000004)
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide
C20H23FN2O2 (342.17434699999995)
[1,1:4,1-Terphenyl]-4-ol, 2,3,5-trifluoro-4-propyl-
1-(FURAN-2-YLMETHYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
C18H23BN2O4 (342.17507880000005)
Diethyl N-[5-methylamino-2-thenoyl]-L-glutamate
C15H22N2O5S (342.12493620000004)
2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium chloride
Sembragiline
C19H19FN2O3 (342.13796360000003)
C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
2-(4-benzyl-1-piperazinyl)-N-[(E)-2-thienylmethylidene]acetohydrazide
2-[[anilino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-3H-indene-1-carboxylic acid ethyl ester
Kadsurenin K
A neolignan with formula C20H22O5, originally isolated from Piper kadsura.
(E)-1-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
3-(4-Methoxyphenyl)-6-methyl-4-phenylchromen-2-one
5-[[(1-Cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole
C16H18N6OS (342.12627380000004)
(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
(4betaH)-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6alpha-olide
A guaiane sesquiterpenoid isolated from Elephantopus mollis and has been shown to exhibit cytotoxic activity.
Trimethylsilyl 3,5-dimethoxy-4-(trimethylsilyloxy)benzoate
C15H26O5Si2 (342.13187059999996)
6-Fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine
4-(4-Chlorobenzyl)-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidin-4-Aminium
C18H21ClN5+ (342.14853960000005)
[2-(1-Amino-2-Hydroxy-Propyl)-4-(1h-Indol-3-Ylmethylene)-5-Oxo-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehyde
C17H18N4O4 (342.13279880000005)
Lifibrol
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
magnoflorine
[C20H24NO4]+ (342.17052440000003)
Magnoflorine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Magnoflorine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Magnoflorine can be found in a number of food items such as carob, other cereal product, durian, and japanese chestnut, which makes magnoflorine a potential biomarker for the consumption of these food products. Magnoflorine is a chemical compound isolated from the rhizome of Sinomenium acutum and from Pachygone ovata. It is classified as an aporphine alkaloid . Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
1D-myo-inositol 2-ammonio-2-deoxy-alpha-D-glucopyranoside
Pavine(1+)
C20H24NO4+ (342.17052440000003)
An organic cation obtained by protonation of the amino function of pavine; major species at pH 7.3.
6-(alpha-D-glucosazaniumyl)-1D-myo-inositol
Conjugate acid of 6-(alpha-D-glucosaminyl)-1D-myo-inositol.
2,4-Diamino-5-[3-(2-trifluoromethylphenoxy)propoxy]-6-methylpyrimidine
C15H17F3N4O2 (342.13035379999997)
2,4-Diamino-6-methyl-5,3-(3-trifluoromethylphenoxy)prop-1-yloxypyrimidine
C15H17F3N4O2 (342.13035379999997)
(1R,9R)-4,5,12,13-tetramethoxy-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
C20H24NO4+ (342.17052440000003)
(1S,9S)-4,5,12,13-tetramethoxy-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
C20H24NO4+ (342.17052440000003)
[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
Arginine, N(2)-p-toluenesulfonyl-, methyl ester
C14H22N4O4S (342.13616920000004)
N-[(2S)-3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide
1-[4-(3-Chlorophenyl)piperazin-1-yl]-2-phenylbutan-1-one
N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
C17H18N4O4 (342.13279880000005)
5-(1-Acetyl-5-phenyl-3-pyrazolidinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
C17H18N4O4 (342.13279880000005)
1-(1,3-Benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea
(9-Chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-methyl-1-piperidinyl)methanone
8-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
C21H18N4O (342.14805379999996)
[3-(2-Hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
C22H18N2O2 (342.13682079999995)
10-[(2,4-Dimethoxyphenyl)methylidene]-9-anthracenone
2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbothioamide
1-(1-Piperidinyl)-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]ethanone
7-(2-Methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine
(E)-2-cyano-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-N-phenylprop-2-enamide
C21H18N4O (342.14805379999996)
2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile
C21H18N4O (342.14805379999996)
3-(4-Fluorophenyl)-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-7-triazolo[4,5-d]pyrimidinone
C16H15FN6O2 (342.12404619999995)
6-(1,2-Dihydroxy-5,6-diacetoxy-3-heptenyl)-5,6-dihydro-2H-pyran-2-one
(3bR,9bS)-6,9-dihydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methoxyphenyl)methylamino]propanamide
1-[[4-[(4-Fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
C16H15FN6O2 (342.12404619999995)
N-[4-methyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
2-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
1-[2-[3-(1-Propan-2-ylsulonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
C14H22N4O4S (342.13616920000004)
2-[hydroxy-[(2R)-3-hydroxy-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine
N-[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzamide
C22H18N2O2 (342.13682079999995)
1-(4-Hydroxy-3-methoxyphenyl)-7-(3-hydroxyphenyl)heptane-3,5-dione
3,4,5-Trihydroxy-6-[3-(4-methoxyphenyl)propoxy]oxane-2-carboxylic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-pentyl-3,4-dihydro-2H-1-benzopyran-4-one
2-[2,3-Diacetyloxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
4,10,16-Trimethyl-9,15-dihydroxy-1,5,11-trioxa-7,13-cyclohexadecadiene-2,6,12-trione
4-Hydroxy-5-methyl-3-[2-methyl-1-(4-methyl-5-oxooxolan-2-yl)but-3-en-2-yl]chromen-2-one
8,13,17-Trioxo-5,6,7,8,13,14,15,16-octahydro-6,15-methanobenzo(A)naphto(2,3-F)cyclodecene
9,12,17-Trioxo-5,6,7,9,12,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
2-[Hydroxy-(2-hydroxy-3-pentanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
tetrahydrodemethoxycurcumin
A beta-diketone that is tetrahydrocurcumin in which one the methoxy groups has been replaced by a hydrogen atom.
TMC-86A
An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-butanoyl-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces.
7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7, a methoxy group at position 5 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic and inhibitory activity against prostaglandin biosynthesis.
3,3-Neotrehalosadiamine(2+)
An organic cation obtained by protonation of the two amino groups of 3,3-neotrehalosadiamine.
(S)-magnoflorine
C20H24NO4 (342.17052440000003)
An aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group.
5'-O-TBDMS-dU
C15H26N2O5Si (342.16109059999997)
5'-O-TBDMS-dU can be used in the synthesis of oligoribonucleotides[1].
FMK
FMK is a an irreversible RSK2 kinase inhibitor, that covalently modifies the C-terminal kinase domain of RSK.
10-hydroxy-3-methoxy-7-[(2z)-4-methylhex-2-en-2-yl]-9h-pyrano[4,3-g]chromen-2-one
3-hydroxy-5-(4-hydroxy-4-methylpent-2-enoyl)-2-isopropyl-6-methylnaphthalene-1,4-dione
(1s,5r,6r,7r,8r)-7-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one
(1's,3s,11's)-6'-ethyl-11'-hydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
(4s,7e,9r,10s,16r)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadec-7-ene-2,6,12,15-tetrone
7-[(3,7-dimethyl-6-oxoocta-2,7-dien-1-yl)oxy]-8-methoxychromen-2-one
(2r,6r,11s,12r,13z)-12-hydroxy-6-[(1s)-1-hydroxyethyl]-2,11-dimethyl-1,5,10-trioxacyclopentadeca-7,13-diene-4,9,15-trione
(9r)-3,4-dihydroxy-15,16-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium
[C20H24NO4]+ (342.17052440000003)
9-hydroxy-7,7-dimethyl-14-methylidene-10,15-dioxo-16-oxatetracyclo[11.3.1.0²,¹¹.0³,⁸]heptadeca-8,11-diene-3-carbaldehyde
(2r,3r,4s,5s,6r)-2-{[(2z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(8r)-4,8-dihydroxy-18-methoxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-10-one
4-[(2s,3s,4s,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
(1s,5s,6s,11r,14r)-6-[2-(furan-3-yl)-2-oxoethyl]-1,7-dimethyl-10,12-dioxatetracyclo[7.4.1.0⁵,¹¹.0⁵,¹⁴]tetradec-7-en-13-one
5',7',11'-trihydroxy-7'-(methoxymethyl)-2'-methyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione
(6r,7as)-7a-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]-6-(prop-2-en-1-yl)-6,7-dihydro-2h-1,3-benzodioxol-5-one
(1s,4r,8s,12r)-9-[2-(furan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-9-ene-3,5,11-trione
(1'r,2'r,3r,5'r,7's,8's,11'r)-5',7',11'-trihydroxy-7'-(methoxymethyl)-2'-methyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione
7-(furan-3-yl)-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-ene-5,15-dione
(2s,3s,4r)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydro-2h-naphthalen-1-one
(1's,3r,5r,6'r,7'r)-5-(furan-3-yl)-6',7'-dimethyl-3'-methylidene-9'-oxaspiro[oxolane-3,2'-tricyclo[5.2.2.0¹,⁶]undecane]-2,8'-dione
(2r,3s)-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-6-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-3-ol
(1s,11s,12s)-5-hydroxy-6-isopropyl-12-methyl-16-oxatetracyclo[10.3.2.0¹,¹¹.0³,⁸]heptadeca-3(8),5,9-triene-4,7,17-trione
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(1z)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}oxane-3,4,5-triol
(2s)-7-hydroxy-2-phenyl-5-[(1z)-2-phenylethenyl]-2,3-dihydro-1-benzopyran-4-one
(5s)-5-[(3-hydroxy-4-methoxyphenyl)methyl]-6,6-dimethyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
[C20H24NO4]+ (342.17052440000003)
(2s,3s,3ar,5r)-2-(2h-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
4-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)butan-2-one
5-(furan-3-yl)-1',6'-dimethyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-8'(12')-ene-2,2'-dione
6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl furan-3-carboxylate
2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-3-methoxyphenoxy]oxane-3,4,5-triol
5-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
(1s,11r,12s)-11,16-dihydroxy-15-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-1-ium
[C19H20NO5]+ (342.13414100000006)