Exact Mass: 280.1548752
Exact Mass Matches: 280.1548752
Found 500 metabolites which its exact mass value is equals to given mass value 280.1548752,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Autumnolide
Hymenoflorin
13-Hydroxyabscisic acid
13-Hydroxyabscisic acid is found in cowpea. 13-Hydroxyabscisic acid is a constituent of cowpea (Vigna unguiculata) fruits Constituent of cowpea (Vigna unguiculata) fruits. 13-Hydroxyabscisic acid is found in pulses and cowpea.
Fantridone
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
brefeldin A
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.035 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.034 [Raw Data] CB245_Brefeldin-A_pos_50eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_40eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_30eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_20eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_10eV_isCID-10eV_rep000008.txt Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5]. Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5].
Feruloylcholine
Feruloylcholine is a constituent of garlic mustard (Alliaria officinalis). Constituent of garlic mustard (Alliaria officinalis).
Nigellic acid
Nigellic acid is found in broad bean. Nigellic acid is isolated from leaves of Vicia fab Isolated from leaves of Vicia faba. Nigellic acid is found in pulses and broad bean.
8-Deoxy-11,13-dihydroxygrosheimin
8-Deoxy-11,13-dihydroxygrosheimin is found in green vegetables. 8-Deoxy-11,13-dihydroxygrosheimin is a constituent of Cynara scolymus (globe artichoke). Constituent of Cynara scolymus (globe artichoke). 8-Deoxy-11,13-dihydroxygrosheimin is found in green vegetables.
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is found in green vegetables. (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is a constituent of Smyrnium olusatrum (alexanders). Constituent of Smyrnium olusatrum (alexanders). (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is found in green vegetables.
Tyrosyl-Valine
C14H20N2O4 (280.14230000000003)
Tyrosyl-Valine is a dipeptide composed of tyrosine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Crispolide
Crispolide is found in herbs and spices. Crispolide is a constituent of Tanacetum vulgare var. crispum. Constituent of Tanacetum vulgare variety crispum. Crispolide is found in herbs and spices.
Feruloyl-2-hydroxyputrescine
C14H20N2O4 (280.14230000000003)
Feruloyl-2-hydroxyputrescine is found in cereals and cereal products. Feruloyl-2-hydroxyputrescine is an alkaloid from Triticum aestivum (wheat). Alkaloid from Triticum aestivum (wheat). Feruloyl-2-hydroxyputrescine is found in wheat and cereals and cereal products.
Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate
Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables. Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables.
6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide
6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.
3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide
3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is found in green vegetables. 3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is a constituent of Petasites japonicus (sweet coltsfoot).
7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one
7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices. 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is a constituent of rhizomes of Alpinia officinarum (lesser galangal). Constituent of rhizomes of Alpinia officinarum (lesser galangal). 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices.
Valyltyrosine
C14H20N2O4 (280.14230000000003)
Valyltyrosine is a dipeptide composed of valine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. H-Val-Tyr-OH is an endogenous metabolite.
Prehumulinic acid
Prehumulinic acid is found in alcoholic beverages. Prehumulinic acid is a constituent of hops Constituent of hops. Prehumulinic acid is found in alcoholic beverages.
Hydroxystilbamidine
Hydroxystilbamidine belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Hydroxystilbamidine is considered to be a practically insoluble (in water) and relatively neutral molecule. C254 - Anti-Infective Agent > C514 - Antifungal Agent
(1R,7S,13S,15S)-2,15-Dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
Lisofylline
C13H20N4O3 (280.15353300000004)
4-(1,3-Dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)benzoic acid
C14H20N2O4 (280.14230000000003)
4-O-Methylhonokiol
4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
8-Hydroxymianserin
Albifylline
C13H20N4O3 (280.15353300000004)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
1,7-diphenyl-5-hydroxy-6-hepten-3-one
(5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1]. (5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1].
1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalene-1-yl)-3-hydroxypropane-1-one
4-methoxyhonokiol
4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
6-Heptyl-3-methoxy-4-methylene-4,5,6,7a-tetrahydro-furo[2,3-b]pyran-2-one
[1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4,6-dihydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
2-(3-Methyl-1-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol
(2S,4S,5S,7S)-10-Hydroxy-7-isopropyl-2-methoxy-4-methyl-1-oxaspiro[4,6]undec-10-en-8-one
(E)-2-(hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
5-Ketone,6alpha,7alpha-epoxide,Me ester-Cantabrenonic acid
9,10-Dihydro-4-ethenyl-1,8-dimethyl-2-methoxyphenanthrene-7-ol
Me ester-5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Me ester-5(4鈥樏傗垎3)-Abeo-5-hydroxy-4-oxo-11(13)-eudesmen-12-oic acid|methyl-5beta-hydroxy-4-oxo-11(13)-dehydroiphionoate
3,8-Dimethyl-4-vinyl-7-methoxy-9,10-dihydrophenanthrene-1-ol
8-Hydroxy-10-(5-methyl-4-oxo-2-cyclopenten-1-yl)-9-decenoic acid
5-Hydroxy-7-(2-phenylethyl)-2,2-dimethyl-2H-1-benzopyran
7-Oxo-8-carbomethoxypinguisenol|7-oxo-pinguisenol-12-methyl ester|7-Oxopinguisenol-12-methyl ester
(-)-4-((2S,4R,6S)-tetrahydro-4-hydroxy-6-pentyl-2H-pyran-2-yl)benzene-1,2-diol|(2S,4R,6S)-2-(3,4-hydroxyphenyl)-4-hydroxy-6-pentyltetrahydropyran
2-(1-Methylethenyl)-4-phenethyl-2,3-dihydrobenzofuran-6-ol
6beta-methoxy-8beta-hydroxy-eremophil-7(11)-en-12,8alpha-olide
8-hydroxy-1-methoxy-gamma-butyrolactone dendrolasin
2,2-Dimethyl-7-hydroxy-5-(2-phenylethyl)-2H-1-benzopyran
4-(2-hydroxy-3-isopropylaminopropoxy)phenylglyoxylic acid amide
C14H20N2O4 (280.14230000000003)
(8betaH)-form-13,14,15,16-Tetranor-1(10)-halimene-12,19-dioic acid|13,14,15,16-tetranorfriedo-1(10)-labden-12,19-dioic acid
Epilaccilahsholinsaeuremethylester|Methyl-epilaccilakscholinat
4-O-Methylhonokiol
4-O-Methylhonokiol is a natural product found in Magnolia virginiana, Magnolia obovata, and Magnolia officinalis with data available. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
2-Methylbutyric acid 2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl ester
2,5-dihydroxy-3-methyl-6-nonylcyclohexa-2,5-diene-1,4-dione
3,8,8-Trimethyl-4,5,10,11-tetrahydrophenanthro[10,1-bc]pyran-9(8H)-one
(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxyapparicine
3,5-Dihydroxy-2-(gamma,gamma-dimethylallyl)-stilben|trans-3,5-dimethoxy-2-prenylstilbene
1,1?-(E)-propenyl-4-methoxy-3,4?-oxyneolignan|ottomentosa
(1R,4R,5R,8S,10R)-1-hydroxy-4-methoxyeudesm-7(11)-en-12,8-olide
5alpha-hydroxy-13-methoxy-7alphaH,11alphaH-eudesm-4(15)-en-12,8beta-lactone
(2S,3S)-5-allyl-2,3-dihydro-2-(4-methoxyphenyl)-3-methylbenzofuran|4?-O-methylmiliumollin
(+)-(7S)-7-O-methylsydonic acid|(+)-7-O-methylsydonic acid
(11E,13Z)-1,7-dioxacyclooctadeca-11,13-diene-2,8-dione|mesuadione
6-(2-hydroxyethyl)-2-hydroxymethyl-7-methoxymethyl-2,5-dimethyl-indan-4-ol|russujaponol I
3,8-dihydroxy-heptadeca-9E,15E-dien-11,13-diyne-1-oic acid methyl ester
1beta,8alpha-dihydroxyeudesma-3,5-dien-12-carboxylic acid methyl ester|jatrophaeudesmene A
10beta-hydroxy-8beta-methoxyeremophilenolide|8-Me ether-8,10-Dihydroxy-7(11)-eremophilen-12,8-olide
Me ester-5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
10alpha-hydroxy-10,14-dihydrodesacylcynaropicrin|3beta,8alpha,10alpha-trihydroxy-guaia-4(15),11(13)-dien-1alpha,5alpha,6beta,7alphaH-12,6-olide
1beta,14-peroxy-4alpha-hydroxy-5alphaH,7alphaH,6betaH-eudesm-11(13)-en-6,12-olide
(4aRS,5SR,6SR,8aSR,9aSR)-4a,5,6,8a,9,9a-hexahydro-4a,5,6-trihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta,4beta,5beta-trihydroxyeudesma-1,7(11)-dien-12,8alpha-olide|serralactone D
(1E, 4?鈥? 5??, 6??, 10??, 11??H)-form-4, 5-Epoxy-10-hydroxy-3-oxo-1-germacren-12, 6-olide
2-<<1R-(1alpha,4alpha,5alpha)>-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl>propensaeure-methylester|2-[(1R-(1alpha,4alpha,5alpha))-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl]propensaeure-methylester
1alpha,6alpha-dihydroxyisocostic acid methyl ester
(+)-conocarpan methyl ether|(2S,3S)-2,3-dihydro-2-(4-methoxyphenyl)-3-methyl-5-[1(E)-propenyl]benzofuran
4alpha-hydroxy-1beta-hydroperoxyguaia-10(14),11(13)-dien-12,8beta-olide
Ac-(all-E)-1,7,9-Heptadecatriene-11,13,15-triyn-6-ol
4-[2-[2-Methoxy-5-(2-propenyl)phenyl]-2-propenyl]phenol
(1beta,4Z,6alpha,8alpha,10alpha)-form-1,10-Epoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide|(1R*,6S*,7R*,8S*,10S*)-8,15-dihydroxy-1(10)-epoxygermacr-4-ene-6,12-olide
(1beta,3bata,4Z,6alpha,10alpha)-1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
4alpha-hydroperoxy-10alpha-hydroxy-1alpha,5alphaH-guaia-2,11(13)-dien-12,6alpha-olide
(E)-11beta,15-dihydroxy-2-oxo-6betaH-13-norguaia-3-ene-11,6-carbolactone
(7alpha,8alpha,2alpha)-3,4,5-trimethoxy-7,3,1,9-diepoxylignan|cuminiresinol
2-Isobutyryl-4-(2-hydroxy-3-methyl-3-butenyl)benzene-1,3,5-triol
(1R*,5R*,6R*,7S*,8R*,9S*,10S*)-8,9,10-trihydroxygermacra-3,11(13)-germacradien-6,12-olide
1alpha,8alpha,11beta-trihydroxyguai-3,10(14)-dien-12,6alpha-olide
7-(2,3-Dimethoxyphenyl)heptansaeuremethylester|methyl 7-(2,3-dimethoxyphenyl)heptanoate
5beta,9beta-dihydroxy-1-oxo-germacra-1(10),4(15)-dien-12,6-olide
Me ester-4,5-Dioxo-4,5-seco-11(13)-eudesmen-12-oic acid|methyl-4,5-dioxo-seco-isocostoate
1beta-Hydroperoxy-8alpha-hydroxy-4,10(14)-germacradien-12,6alpha-olide
(4aR*,5R*,8aR*,9aS*)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-9a-methoxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha(H)-8beta-methoxyeudesm-7(11)-en-8,12-olide
Lisofylline
C13H20N4O3 (280.15353300000004)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D011838 - Radiation-Sensitizing Agents D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Artemisitene
Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2]. Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2].
Dehydromiltirone
Dehydromiltirone is a natural product found in Salvia miltiorrhiza, Salvia miltiorrhiza var. miltiorrhiza, and Salvia prionitis with data available.
7-benzyloxygramine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.741
L-Histidine beta-naphthylamide
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.257 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.256 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.251 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.250
Xylometazoline HCl
Xylometazoline hydrochloride is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline hydrochloride can constrict nasal blood vessels and increase nasal airflow. Xylometazoline hydrochloride can be used in nose stuffiness and runny nose research[1][2].
1-Phenyl-2-(3,4,5,6-tetrahydro-2H-[2,3]bipyridinyl-1-yl)-ethanone
2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione
4-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]benzoic acid
4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
C15H20O5_(11xi)-4,7-Dihydroxy-12,13-epoxytrichothec-9-en-8-one
C15H20O5_4,5-Dihydroxy-1a-(3-hydroxy-1-propen-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one
C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one
C15H20O5_Spiro[7H-cyclohepta[b]furan-7,2(5H)-furan]-2,5(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, (3aS,6S,7R,8aR)
C15H20O5_4,6-Dihydroxy-5a-methyl-3-methylene-2-oxododecahydronaphtho[1,2-b]furan-9-carbaldehyde
C16H24O4_[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]acetic acid
C15H20O5_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one, 2,2a,6,6a,7a,8,9,9a-octahydro-2a-hydroxy-1a,5,7a-trimethyl-, (1aS,2aR,6aR,7aS)
(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3a,4,5,8a-tetrahydrocyclohepta[b]furan-7-yl]propanoic acid
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione [IIN-based on: CCMSLIB00000846769]
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based: Match]
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione [IIN-based: Match]
(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_major
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3a,4,5,8a-tetrahydrocyclohepta[b]furan-7-yl]propanoic acid_major
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,⁷]dodecan]-5-en-4-one_major
(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_minor
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,?]dodecan]-5-en-4-one
3-[(4-Carboxy-4-methylpentyl)oxy]-4-methylbenzoic acid (Gemfibrozil M3)
(R)-Lisofylline
C13H20N4O3 (280.15353300000004)
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus.
(S)-Lisofylline
C13H20N4O3 (280.15353300000004)
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (S)-configuration. It is the inactive optical enantiomer of (R)-lisofylline, an anti-inflammatory agent.
Tyr-val
C14H20N2O4 (280.14230000000003)
A dipeptide formed from L-tyrosine and L-valine residues.
Val-Tyr
C14H20N2O4 (280.14230000000003)
A dipeptide formed from L-valine and L-tyrosine residues. H-Val-Tyr-OH is an endogenous metabolite.
Feruloyl-2-hydroxyputrescine
C14H20N2O4 (280.14230000000003)
Artabsinolide A
Dihydromarasmone
Nigellic acid
13-Hydroxyabscisic acid
6-Hydroxy-8-methoxy-7(11)-eremophilen-12,8-olide
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide
3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide
Vulgarolide
8-Deoxy-11,13-dihydroxygrosheimin
Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate
4,6-Dihydroxy-5a-methyl-3-methylene-2-oxododecahydronaphtho[1,2-b]furan-9-carbaldehyde
(2S,5S,5aS)-4,6-dihydroxy-5,5a,8-trimethyl-2,3,4,5,5a,9a-hexahydrospiro[oxirane-2,10-[2,5]methanobenzo[b]oxepin]-7(6H)-one
7-hydroxyabscisic acid
ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
2-(1H-indol-3-yl)ethyl-[(3-methoxyphenyl)methyl]azanium
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]acetic acid
2-METHYL-5-(6-PHENYLPYRIDAZIN-3-YL)OCTAHYDROPYRROLO[3,4-C]PYRROLE
1-(4-Methoxy-3-(3-Methoxypropoxy)Phenyl)-3-Methylbutan-1-One
1-BOC-3-[(2-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
1-BOC-3-[(4-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
1-(1,3-DIOXOLAN-2-YLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
3-(3-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
4-Hydroxybenzenepropanoic acid [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
4-biphenylboronic acid, pinacol ester
C18H21BO2 (280.16345160000003)
Tyrosyl-Valine
C14H20N2O4 (280.14230000000003)
N-[(5-Amino-1,3,3-Trimethylcyclohexyl)Methyl]-beta-Alanine Monopotassium Salt
3-(3-FLUORO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
1-BOC-3-[(3-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETIC ACID
METHYL 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)PROPANOATE
(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETICACID
C14H20N2O4 (280.14230000000003)
[2-hydroxyimino-2-(3-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
C14H20N2O4 (280.14230000000003)
(2-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)PHENYL)BORONIC ACID
C14H25BO3Si (280.16659300000003)
BIS-N,N-(TRIMETHYLSILYL)-N-PHENYLUREA
C13H24N2OSi2 (280.14270939999994)
Boc-(R)-3-Amino-4-(3-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
3-(2-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
3-(4-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
[4-(2-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
[2-hydroxyimino-2-(4-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
C14H20N2O4 (280.14230000000003)
METHYL 3-(6-AMINOPYRIDIN-2-YL)-2-(TERT-BUTOXYCARBONYL)PROPANOATE
C14H20N2O4 (280.14230000000003)
Biphenyl-2-boronic acid pinacol ester
C18H21BO2 (280.16345160000003)
Boc-(S)-3-Amino-4-(3-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
Boc-(S)-3-Amino-4-(4-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
(R)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE
C13H20N4O3 (280.15353300000004)
tert-butyl 3-(4-fluorophenyl)piperazine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
3-(2,4-dimethylphenyl)-2-hydrazinylquinazolin-4-one
TERT-BUTYL 4-HYDROXY-2-OXO-5,6,8,9-TETRAHYDRO-1H-PYRIDO[2,3-D]AZEPINE-7(2H)-CARBOXYLATE
C14H20N2O4 (280.14230000000003)
3-(2,3-dimethylphenyl)-2-hydrazinylquinazolin-4-one
(S)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE
C13H20N4O3 (280.15353300000004)
tert-butyl 4-(6-fluoropyridin-3-yl)piperidine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
2-[(TERT-BUTOXY)CARBONYLAMINO]-N-(PHENYLMETHOXY)ACETAMIDE
C14H20N2O4 (280.14230000000003)
2,8-Diazaspiro[4.5]decan-1-one, 2-(phenylmethyl)-, hydrochloride (1:1)
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridin-3-ylpropanoic acid
C14H20N2O4 (280.14230000000003)
Ciclosidomine
C13H20N4O3 (280.15353300000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2,4,4-trimethylpentan-2-yl 2-phenoxyethaneperoxoate
ethyl 2-(5-{[(tert-butoxy)carbonyl]amino}pyridin-2-yl)acetate
C14H20N2O4 (280.14230000000003)
tert-butyl 4-(4-fluorophenyl)piperazine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
2-([1,1-Biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C18H21BO2 (280.16345160000003)
Boc-(R)-3-Amino-4-(4-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
(1R,5S,7S,8S)-7-Methoxy-8-(phenylmethoxy)-3,6-dioxabicyclo[3.2.1]octane-5-methanol
((E)-4-Phenyl-but-3-enyl)-piperidin-3-ylMethyl-aMine hydrochloride
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
1-BENZYL 2-TERT-BUTYL 1-METHYLHYDRAZINE-1,2-DICARBOXYLATE
C14H20N2O4 (280.14230000000003)
tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate
C13H20N4O3 (280.15353300000004)
octahydro-2,6-dimethyl-3,8:4,7-dimethano-2,6-naphthyridine-4,8-dicarboxylic acid
C14H20N2O4 (280.14230000000003)
TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
C13H20N4O3 (280.15353300000004)
3-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile
1H-Indole-3-methanamine,N,N-dimethyl-6-(phenylmethoxy)-
2-Methyl-2-propanyl 4-(4-formyl-1H-1,2,3-triazol-1-yl)-1-piperidi necarboxylate
C13H20N4O3 (280.15353300000004)
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
N-[2-(6-Amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
(3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione hydrate
2,2-Dimethyl-3,6,9,12,15-pentaoxa-2-silahexadecane
2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine
(+)-(7S)-7-O-methylsydonic acid
A sesquiterpenoid that is the 7-O-methyl derivative of (+)-(7S)-sydonic acid. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.
1h-Pyrazolo[4,3-b]pyridin-7-amine,5-methyl-n-(2-methylpropyl)-3-phenyl-
Xylometazoline hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Xylometazoline hydrochloride is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline hydrochloride can constrict nasal blood vessels and increase nasal airflow. Xylometazoline hydrochloride can be used in nose stuffiness and runny nose research[1][2].
1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-
2-(Hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
4,6-dihydroxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-9-carbaldehyde
2-[(2-Amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
C14H20N2O4 (280.14230000000003)
(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamide
9-Hydroxyabscisic acid
An oxo monocarboxylic acid that is (+)-abscisic acid substituted by a hydroxy group at position 9.
(2Z,4E)-5-[(1S,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-
1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one
A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at position 1 and a phenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
(3As,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione
2-[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
(1S,2S,12S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one
(3R,5S,10S,12R)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide
N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
(1R,2R,3Z,7S,11E,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
(E)-N-(4-amino-3-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
C14H20N2O4 (280.14230000000003)
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxamide
C14H20N2O4 (280.14230000000003)
(1S,2S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one
Dimethyl cis-3,3-dimethyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl (3AR*,5R*,6R*)-3,3-dimethyl-2,3,3A,4,5,6-hexahydroinden-1(H)-one-5,6-dicarboxylate
Methyl (3R,6S)-7-benzyloxy-3-hydroxy-6-methylheptanoate
4-[5-(1,2-Dihydroxypropan-2-yl)-2-methyloxolan-2-yl]benzoic acid
Dimethyl cis-4-(3-methyl-1-oxo-2-butenyl)-4-cyclohexene-1,2-dicarboxylate
(1S,2S,3Z,7R,11Z,13R,15R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
(3aR,5R,5aR,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Hydroxystilbamidine
C254 - Anti-Infective Agent > C514 - Antifungal Agent
8-hydroxyabscisate
6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide
dainate A(1-)
A dicarboxylic acid anion that is conjugate base of dainic acid A, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
C13H20N4O3 (280.15353300000004)
A dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively.