Exact Mass: 449.1231618
Exact Mass Matches: 449.1231618
Found 339 metabolites which its exact mass value is equals to given mass value 449.1231618,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-(Methylthio)hexyl glucosinolate
6-(Methylthio)hexyl glucosinolate is found in horseradish. 6-(Methylthio)hexyl glucosinolate is present in Arabidopsis thaliana and other crucifers. Present in Arabidopsis thaliana and other crucifers. 6-(Methylthio)hexyl glucosinolate is found in horseradish.
Cyanidin 3-glucoside
[C21H21O11]+ (449.10838160000003)
Cyanidin 3-glucoside, also known as chrysanthenin or cyanidin 3-glucoside chloride (CAS: 7084-24-4), belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Cyanidin 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3-glucoside is found, on average, in the highest concentration within a few different foods, such as black elderberries, rubus (blackberry, raspberry), and bilberries and in a lower concentration in redcurrants, strawberries, and sweet oranges. Cyanidin 3-glucoside has also been detected, but not quantified in, several different foods, such as common pea, peaches, Tartary buckwheats, soft-necked garlic, and fats and oils. This could make cyanidin 3-glucoside a potential biomarker for the consumption of these foods. Cyanidin (and its glycosides) is the most commonly occurring of the anthocyanins, a widespread group of pigments responsible for the red-blue colour of many fruits and vegetables (PMID: 14711454). BioTransformer predicts that cyanidin 3-glucoside is a product of cyanidin 3-sophoroside metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by the EC.3.2.1.X enzyme (PMID: 30612223). Acquisition and generation of the data is financially supported in part by CREST/JST. Found in many plants and fruits, e.g. cherries, olives and grapes
Cyhalothrin
C23H19ClF3NO3 (449.1005490000001)
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07762
Cyanidin 3-galactoside
[C21H21O11]+ (449.10838160000003)
Isolated from numerous plants including cranberry (Vaccinium vitis-idaea), red pears and pistachio (Pistacia vera). Cyanidin 3-galactoside is found in many foods, some of which are corn, blackcurrant, strawberry, and pomes. Cyanidin 3-galactoside is found in american cranberry. Cyanidin 3-galactoside is isolated from numerous plants including cranberry (Vaccinium vitis-idaea), red pears and pistachio (Pistacia vera). Acquisition and generation of the data is financially supported in part by CREST/JST.
Cyanidin 4'-glucoside
C21H21O11+ (449.10838160000003)
Isolated from okra petals (Hibiscus esculentus). Cyanidin 4-glucoside is found in garden onion, green vegetables, and okra. Cyanidin 4-glucoside is found in garden onion. Cyanidin 4-glucoside is isolated from okra petals (Hibiscus esculentus).
Cyanidin 7-glucoside
C21H21O11+ (449.10838160000003)
Cyanidin 7-glucoside is found in fruits. Cyanidin 7-glucoside is isolated from blackberry (Rubus fruticosus). Isolated from blackberry (Rubus fruticosus). Cyanidin 7-glucoside is found in fruits.
Carnocin CP 5
C23H19N3O5S (449.1045364000001)
Carnocin CP 5 is found in fishes. Carnocin CP 5 is produced by Carnobacterium piscicola CP5. Production by Carnobacterium piscicola CP5. Carnocin CP 5 is found in fishes.
Bictegravir
Commodore
C23H19ClF3NO3 (449.1005490000001)
Crizotinib
Cyhalothrin
C23H19ClF3NO3 (449.1005490000001)
N-[(5-{2-[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-D]pyrimidin-6-YL]ethyl}-2-thienyl)carbonyl]-L-glutamic acid
C19H23N5O6S (449.13689780000004)
Cyanidin 3-O-alpha-L-galactoside
C21H21O11 (449.10838160000003)
Cyanidin 3-o-alpha-l-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-o-alpha-l-galactoside can be found in highbush blueberry, which makes cyanidin 3-o-alpha-l-galactoside a potential biomarker for the consumption of this food product.
Delphinidin 3-rhamnoside
C21H21O11+ (449.10838160000003)
Delphinidin 3-rhamnoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Delphinidin 3-rhamnoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delphinidin 3-rhamnoside can be found in blackcurrant, which makes delphinidin 3-rhamnoside a potential biomarker for the consumption of this food product.
Cyanidin 3-O-arabinoside
C21H21O11 (449.10838160000003)
Petunidin 3-arabinoside
C21H21O11 (449.10838160000003)
Petunidin 3-o-alpha-L-arabinopyranoside
C21H21O11 (449.10838160000003)
Asterin
C21H21O11+ (449.10838160000003)
4-(tert-Butyl)-N-({[2-methyl-5-(morpholinosulfonyl)-3-furyl]carbonyl}oxy)benzenecarboximidamide
C21H27N3O6S (449.1620482000001)
4-[[4-[Hydroxy(4-methoxyphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]-1-methyl-1H-imidazol-2-yl]amino]-1-methyl-1H-imidazole-2,5-dione
6-(o-hydroxybenzylamino)-2-methylthio-9-beta-glucofuranosilpurine
C19H23N5O6S (449.13689780000004)
3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
Glucolesquerellin
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 3
cyanidin-3-o-galactoside
[C21H21O11]+ (449.10838160000003)
Annotation level-1
Ala Cys Glu Gln
Ala Cys Gln Glu
Ala Asp Met Asn
Ala Asp Asn Met
Ala Glu Cys Gln
Ala Glu Gln Cys
Ala Met Asp Asn
Ala Met Asn Asp
Ala Asn Asp Met
Ala Asn Met Asp
Ala Gln Cys Glu
Ala Gln Glu Cys
Cys Ala Glu Gln
Cys Ala Gln Glu
Cys Cys Pro Gln
Cys Cys Gln Pro
Cys Asp Gly Arg
Cys Asp Asn Val
Cys Asp Arg Gly
Cys Asp Val Asn
Cys Glu Ala Gln
Cys Glu Gln Ala
Cys Gly Asp Arg
Cys Gly Arg Asp
Cys Asn Asp Val
Cys Asn Val Asp
Cys Pro Cys Gln
Cys Pro Gln Cys
Cys Gln Ala Glu
Cys Gln Cys Pro
Cys Gln Glu Ala
Cys Gln Pro Cys
Cys Arg Asp Gly
Cys Arg Gly Asp
Cys Val Asp Asn
Cys Val Asn Asp
Asp Ala Met Asn
Asp Ala Asn Met
Asp Cys Gly Arg
Asp Cys Asn Val
Asp Cys Arg Gly
Asp Cys Val Asn
Asp Asp Asn Ser
Asp Asp Ser Asn
Asp Gly Cys Arg
Asp Gly Met Gln
Asp Gly Gln Met
Asp Gly Arg Cys
Asp Met Ala Asn
Asp Met Gly Gln
Asp Met Asn Ala
Asp Met Gln Gly
Asp Asn Ala Met
Asp Asn Cys Val
Asp Asn Asp Ser
Asp Asn Met Ala
Asp Asn Ser Asp
Asp Asn Val Cys
Asp Gln Gly Met
Asp Gln Met Gly
Asp Arg Cys Gly
Asp Arg Gly Cys
Asp Ser Asp Asn
Asp Ser Asn Asp
Asp Val Cys Asn
Asp Val Asn Cys
Glu Ala Cys Gln
Glu Ala Gln Cys
Glu Cys Ala Gln
Glu Cys Gln Ala
Glu Gly Met Asn
Glu Gly Asn Met
Glu Met Gly Asn
Glu Met Asn Gly
Glu Asn Gly Met
Glu Asn Met Gly
Glu Gln Ala Cys
Glu Gln Cys Ala
Gly Cys Asp Arg
Gly Cys Arg Asp
Gly Asp Cys Arg
Gly Asp Met Gln
Gly Asp Gln Met
Gly Asp Arg Cys
Gly Glu Met Asn
Gly Glu Asn Met
Gly Met Asp Gln
Gly Met Glu Asn
Gly Met Asn Glu
Gly Met Gln Asp
Gly Asn Glu Met
Gly Asn Met Glu
Gly Gln Asp Met
Gly Gln Met Asp
Gly Arg Cys Asp
Gly Arg Asp Cys
Met Ala Asp Asn
Met Ala Asn Asp
Met Asp Ala Asn
Met Asp Gly Gln
Met Asp Asn Ala
Met Asp Gln Gly
Met Glu Gly Asn
Met Glu Asn Gly
Met Gly Asp Gln
Met Gly Glu Asn
Met Gly Asn Glu
Met Gly Gln Asp
Met Asn Ala Asp
Met Asn Asp Ala
Met Asn Glu Gly
Met Asn Gly Glu
Met Gln Asp Gly
Met Gln Gly Asp
Asn Ala Asp Met
Asn Ala Met Asp
Asn Cys Asp Val
Asn Cys Val Asp
Asn Asp Ala Met
Asn Asp Cys Val
Asn Asp Asp Ser
Asn Asp Met Ala
Asn Asp Ser Asp
Asn Asp Val Cys
Asn Glu Gly Met
Asn Glu Met Gly
Asn Gly Glu Met
Asn Gly Met Glu
Asn Met Ala Asp
Asn Met Asp Ala
Asn Met Glu Gly
Asn Met Gly Glu
Asn Ser Asp Asp
Asn Val Cys Asp
Asn Val Asp Cys
Pro Cys Cys Gln
Pro Cys Gln Cys
Pro Gln Cys Cys
Gln Ala Cys Glu
Gln Ala Glu Cys
Gln Cys Ala Glu
Gln Cys Cys Pro
Gln Cys Glu Ala
Gln Cys Pro Cys
Gln Asp Gly Met
Gln Asp Met Gly
Gln Glu Ala Cys
Gln Glu Cys Ala
Gln Gly Asp Met
Gln Gly Met Asp
Gln Met Asp Gly
Gln Met Gly Asp
Gln Pro Cys Cys
Arg Cys Asp Gly
Arg Cys Gly Asp
Arg Asp Cys Gly
Arg Asp Gly Cys
Arg Gly Cys Asp
Arg Gly Asp Cys
Ser Asp Asp Asn
Ser Asp Asn Asp
Ser Asn Asp Asp
Val Cys Asp Asn
Val Cys Asn Asp
Val Asp Cys Asn
Val Asp Asn Cys
Val Asn Cys Asp
Val Asn Asp Cys
Crizotinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01ED - Anaplastic lymphoma kinase (alk) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Crizotinib (PF-02341066) is an orally bioavailable, ATP-competitive ALK and c-Met inhibitor with IC50s of 20 and 8 nM, respectively. Crizotinib inhibits tyrosine phosphorylation of NPM-ALK and tyrosine phosphorylation of c-Met with IC50s of 24 and 11 nM in cell-based assays, respectively. Crizotinib is also a ROS1 inhibitor. Crizotinib has effective tumor growth inhibition[1][2][3].
Idein
C21H21O11+ (449.10838160000003)
Cyclen
C21H21O11 (449.10838160000003)
Cyanidin 4'-glucoside
C21H21O11 (449.10838160000003)
Carnocin CP 5
C23H19N3O5S (449.1045364000001)
(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester
C21H21F2N3O4S (449.12207700000005)
Sarmoxicillin
C21H27N3O6S (449.1620482000001)
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
Methyl3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranoside
benzyl (2R)-3-(4-methylphenyl)sulfonyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
C22H27NO7S (449.15081520000007)
Pyrrolo[1,2-a]pyrazine-3-acetic acid, 7-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]octahydro-1,4-dioxo-, (3S,7S,8aS)- (9CI)
sodium 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate
C24H16N3NaO3S (449.08100260000003)
1-(2-aminoethyl)-3-(3,6-dihydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-5-yl)thiourea
C23H19N3O5S (449.1045364000001)
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol
C21H21F2N3O4S (449.12207700000005)
Bictegravir
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
Asciminib
C20H18ClF2N5O3 (449.1066172000001)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
B-spiro[9H-fluorene-9,8-indolo[3,2,1-de]acridin]-2-yl-Boronic acid
B-spiro[9H-Fluorene-9,8-indolo[3,2,1-de]acridin]-3-ylboronic acid
B-spiro[9H-Fluorene-9,8-indolo[3,2,1-de]acridin]-4-ylboronic acid
M2698 free base
C21H19ClF3N5O (449.12301500000007)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor M2698 (MSC2363318A) is an orally active, ATP competitive, selective p70S6K and Akt dual-inhibitor with IC50s of 1 nM for p70S6K, Akt1 and Akt3. M2698 can cross the blood-brain barrier and has anti-cancer activity[1].
Brilaroxazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Brilaroxazine (RP5603) is a potent and orally active multimodal dopamine (DA)/serotonin (5-HT) modulator. Brilaroxazine is a partial agonist of dopamine (DA) D2, D3, and D4?receptors, 5-HT1A (Ki=1.5 nM)?and 5-HT2A (Ki=2.5 nM), and has antagonist activity at 5-HT2B (Ki=0.19 nM), and 5-HT7 (Ki=2.7 nM) receptors[1]. Brilaroxazine is an atypical antipsychotic agent, and has the potential to improve cognitive impairments in neuropsychiatric and neurological diseases in vivo[2].
N-{4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]phenyl}-3-(Trifluoromethyl)benzamide
Mevidalen
C24H29Cl2NO3 (449.15243840000005)
C26170 - Protective Agent > C1509 - Neuroprotective Agent LY3154207 is a potent, subtype selective, and orally available human dopamine D1 receptor positive allosteric modulator (PAM) with minimal allosteric agonist activity (EC50=3 nM)[1].
N-(3,5-dimethylphenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide
C25H23NO5S (449.12968680000006)
N-[[3-(4-nitrophenyl)sulfonyl-2-oxazolidinyl]methyl]-N-(2-pyridinylmethyl)oxamide
1-bromo-3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazol-10-yl)-2-propanol
1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
C19H26F3N3O4S (449.15960320000005)
2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethanesulfonamide
C17H24ClN3O5S2 (449.08458440000004)
N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide
C20H23N3O7S (449.12566480000004)
1-(5-Carboxypentyl)-5-[(2,6-dichlorobenzyl)oxy]-1 H-indole-2-carboxylic acid
C22H21Cl2NO5 (449.07967160000004)
4-Nitrophenyl-(6-S-alpha-D-xylopyranosyl)-beta-D-glucopyranoside
Cyanidin 3-glucoside
C21H21O11+ (449.10838160000003)
Cyanidin 3-glucoside, also known as chrysanthenin or cyanidin 3-glucoside chloride (CAS: 7084-24-4), belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Cyanidin 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3-glucoside is found, on average, in the highest concentration within a few different foods, such as black elderberries, rubus (blackberry, raspberry), and bilberries and in a lower concentration in redcurrants, strawberries, and sweet oranges. Cyanidin 3-glucoside has also been detected, but not quantified in, several different foods, such as common pea, peaches, Tartary buckwheats, soft-necked garlic, and fats and oils. This could make cyanidin 3-glucoside a potential biomarker for the consumption of these foods. Cyanidin (and its glycosides) is the most commonly occurring of the anthocyanins, a widespread group of pigments responsible for the red-blue colour of many fruits and vegetables (PMID: 14711454). BioTransformer predicts that cyanidin 3-glucoside is a product of cyanidin 3-sophoroside metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by the EC.3.2.1.X enzyme (PMID: 30612223). Found in many plants and fruits, e.g. cherries, olives and grapes
Cyanidin 3-O-alpha-L-galactoside
C21H21O11+ (449.10838160000003)
Cyanidin 3-o-alpha-l-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-o-alpha-l-galactoside can be found in highbush blueberry, which makes cyanidin 3-o-alpha-l-galactoside a potential biomarker for the consumption of this food product.
3-C-glucosyl-2,4,4,6-tetrahydroxydibenzoylmethane
C21H21O11- (449.10838160000003)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxyheptanimidothioate
(2R,3S,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
C21H21O11+ (449.10838160000003)
2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
C19H23N5O6S (449.13689780000004)
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-methylsulfanyl-N-sulfooxyheptanimidothioate
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide
C23H20ClN5O3 (449.1254600000001)
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester
C24H23N3O4S (449.14091980000006)
2-[[[3-Methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid
C23H19N3O7 (449.12229440000004)
ethyl 5-bromo-3-[3-(3,3-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
C21H28BrN3O3 (449.1313918000001)
(E)-2-(benzenesulfonyl)-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
C23H23N5O3S (449.15215280000007)
5-[[5-Benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
N-[2-(2,5-dimethoxyphenyl)-1-({2-[(5-methyl-2-thienyl)methylene]hydrazino}carbonyl)vinyl]benzamide
C24H23N3O4S (449.14091980000006)
2,3,4,4,6-pentahydroxychalcone 4-O-beta-D-glucoside(1-)
C21H21O11- (449.10838160000003)
2-(2-Furanylmethylamino)benzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester
C24H23N3O4S (449.14091980000006)
2-(2-Methoxyanilino)-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
C23H23N5O3S (449.15215280000007)
4-[4-(4-Methylphenyl)sulfonyl-1-piperidinyl]-2-thiophen-2-ylquinazoline
7-methoxycrinamabine Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
(1R,9S,10S,11S)-5-(2-fluorophenyl)-10-(hydroxymethyl)-6-oxo-12-(pyridine-3-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
C24H20FN3O5 (449.13869220000004)
(2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
C24H20FN3O5 (449.13869220000004)
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
N-[(2S,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
C21H21Cl2N3O4 (449.09090460000004)
N-[(2R,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
C21H21Cl2N3O4 (449.09090460000004)
N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
C21H21Cl2N3O4 (449.09090460000004)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
C21H23NO8S (449.11443180000003)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
C21H23NO8S (449.11443180000003)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
C21H23NO8S (449.11443180000003)
(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
C24H20FN3O5 (449.13869220000004)
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide
C21H27N3O6S (449.1620482000001)
N-[(2R,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
C21H21Cl2N3O4 (449.09090460000004)
N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
C21H21Cl2N3O4 (449.09090460000004)
N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
C21H21Cl2N3O4 (449.09090460000004)
N-[(2R,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
C21H21Cl2N3O4 (449.09090460000004)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
C21H23NO8S (449.11443180000003)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
C21H23NO8S (449.11443180000003)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
C21H23NO8S (449.11443180000003)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
C21H23NO8S (449.11443180000003)
(1S,9R,10R,11R)-5-(2-fluorophenyl)-10-(hydroxymethyl)-6-oxo-12-(pyridine-3-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
C24H20FN3O5 (449.13869220000004)
(2E)-2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C24H23N3O4S (449.14091980000006)
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid
Ethyl 4,7-DI(para-ethoxyphenyl)-1,2,5-thiadiazolo(3,4-C)pyridine-6-carboxylate
C24H23N3O4S (449.14091980000006)
Cyanidin 3-O-galactoside
C21H21O11+ (449.10838160000003)
An anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3.
λ-Cyhalothrin
C23H19ClF3NO3 (449.1005490000001)
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
C21H21O11+ (449.10838160000003)
cyanidin 3-O-beta-D-glucoside
C21H21O11 (449.10838160000003)
An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3.
OPC-14523 (hydrochloride)
OPC-14523 hydrochloride is an orally active sigma and 5-HT1A receptor agonist, with high affinity for sigma receptors (σ1/2 IC50=47/56 nM), the 5-HT1A receptor (IC50=2.3 nM), and the 5-HT transporter (IC50=80 nM). OPC-14523 hydrochloride shows antidepressant-like activity[1][2].
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
{[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino}oxysulfonic acid
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
(2r,3r,4s,5s,6r)-2-{[(1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-({17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
(2e)-n-[2-(4-{[(2z)-3-(5,5-dimethyl-4-oxofuran-2-yl)-4-hydroxybut-2-en-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H27NO7S (449.15081520000007)
(2r,3s,4r,5s,6r)-2-{[(1r,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
n-[2-(4-{[3-(5,5-dimethyl-4-oxofuran-2-yl)-4-hydroxybut-2-en-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H27NO7S (449.15081520000007)
(7s)-5-chloro-3-[(5r,6r)-6-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl acetate
C23H28ClNO6 (449.16050580000007)
1-[3-({4-[(1-hydroxyethylidene)amino]benzenesulfonyl}azanidyl)-1,4-dioxo-2,3-dihydronaphthalen-2-yl]-1λ⁵-pyridin-1-ylium
C23H19N3O5S (449.1045364000001)
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
4-[4-(4-aminobenzamido)-2-hydroxy-3-isopropoxybenzamido]benzoic acid
[(e)-[7-(methylsulfanyl)-1-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxysulfonic acid
(2e)-n-[2-(4-{[(2e)-3-(5,5-dimethyl-4-oxofuran-2-yl)-4-hydroxybut-2-en-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H27NO7S (449.15081520000007)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
5-[(2r,4r,5s,6r)-4-amino-5-hydroxy-6-methyloxan-2-yl]-1,6,8-trihydroxy-3-methyltetraphene-7,12-dione
3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
5-(4-amino-5-hydroxy-6-methyloxan-2-yl)-1,6,8-trihydroxy-3-methyltetraphene-7,12-dione
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)
[(e)-[7-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxysulfonic acid
5,7-dihydroxy-3-{[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium
[C21H21O11]+ (449.10838160000003)