Exact Mass: 332.1412
Exact Mass Matches: 332.1412
Found 500 metabolites which its exact mass value is equals to given mass value 332.1412
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Spectinomycin
Spectinomycin is only found in individuals that have used or taken this drug. It is an antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea. Spectinomycin is an inhibitor of protein synthesis in the bacterial cell; the site of action is the 30S ribosomal subunit. It is bactericidal in its action. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic KEIO_ID S044; [MS2] KO009242 KEIO_ID S044
Zanamivir
Zanamivir is only found in individuals that have used or taken this drug. It is a guanido-neuraminic acid that is used to inhibit neuraminidase. [PubChem]The proposed mechanism of action of zanamivir is via inhibition of influenza virus neuraminidase with the possibility of alteration of virus particle aggregation and release. By binding and inhibiting the neuraminidase protein, the drug renders the influenza virus unable to escape its host cell and infect others. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AH - Neuraminidase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
Mytilin A
Mytilin A is found in mollusks. Mytilin A is isolated from the edible mussel Mytilus galloprovincialis (as a 3:1 insep. mixture with Mytilin B
3,3'-Dihydroxy-4',5,7-trimethoxyflavan
3,3-Dihydroxy-4,5,7-trimethoxyflavan is found in chinese cinnamon. 3,3-Dihydroxy-4,5,7-trimethoxyflavan is a constituent of Chinese cinnamon (Cinnamomum cassia) and commercial rhubarb Constituent of Chinese cinnamon (Cinnamomum cassia) and commercial rhubarb. 5,7,4-Trimethylcatechin is found in chinese cinnamon, herbs and spices, and green vegetables.
5',8-Dihydroxy-3',4',7-trimethoxyflavan
5,8-Dihydroxy-3,4,7-trimethoxyflavan is found in fruits. 5,8-Dihydroxy-3,4,7-trimethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 5,8-Dihydroxy-3,4,7-trimethoxyflavan is found in fruits.
5'-Hydroxy-3'-methoxysativan
5-Hydroxy-3-methoxysativan is found in alfalfa. 5-Hydroxy-3-methoxysativan is a constituent of Medicago sativa (alfalfa). Constituent of Medicago sativa (alfalfa). 5-Hydroxy-3-methoxysativan is found in alfalfa and pulses.
Byssochlamic acid
Byssochlamic acid is a mycotoxin produced by Byssochlamys fulva and Byssochlamys nive
Tryptophyl-Glutamine
Tryptophyl-Glutamine is a dipeptide composed of tryptophan and glutamine. 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.
Glutaminyltryptophan
Glutaminyltryptophan is a dipeptide composed of glutamine and tryptophan. 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.
Tryptophyl-Gamma-glutamate
Tryptophyl-Gamma-glutamate is a dipeptide composed of tryptophan and gamma-glutamate. 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.
meta-O-Dealkylated flecainide
meta-O-Dealkylated flecainide is a metabolite of flecainide. Flecainide acetate is a class Ic antiarrhythmic agent used to prevent and treat tachyarrhythmias (abnormal fast rhythms of the heart). It is used to treat a variety of cardiac arrhythmias including paroxysmal atrial fibrillation (episodic irregular heartbeat originating in the upper chamber of the heart), paroxysmal supraventricular tachycardia (episodic rapid but regular heartbeat originating in the atrium), and ventricular tachycardia (rapid rhythms of the lower chambers of the heart). (Wikipedia)
(2,3-diphenylcyclopropyl)methyl Phenyl Sulfoxide
(2,3-diphenylcyclopropyl)methyl Phenyl Sulfoxide is classified as a member of the Stilbenes. Stilbenes 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. (2,3-diphenylcyclopropyl)methyl Phenyl Sulfoxide is considered to be practically insoluble (in water) and basic
(S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
3,5,7-Trimethylepicatechin
3,5,7-trimethylepicatechin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,5,7-trimethylepicatechin can be found in chinese cinnamon, which makes 3,5,7-trimethylepicatechin a potential biomarker for the consumption of this food product.
1-p-Menthen-3-one
1-p-menthen-3-one is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. 1-p-menthen-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-p-menthen-3-one can be found in cornmint, which makes 1-p-menthen-3-one a potential biomarker for the consumption of this food product.
(3R)-Colutehydroquinone
Colutehydroquinone is an isoflavonoid that can be found in the root bark of Colutea arborescens. Colutehydroquinone exhibits antifungal activity[1].
trans-4,5-Bis(4-hydroxy-3-methoxyphenyl)-1,3-dioxacyclohexane
2-Formyl-5-(3,4-dimethoxybenzoyloxy)-3-methyl-2-cyclopentene-1-acetaldehyde
2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
(-)-(3S*,4S*,5R*)-(E)-3,4-diacetoxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro<4,5>decane|(-)-(3S*,4S*,5R*)-(E)-3,4-diacetoxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro[4,5]decane|(-)-(3S*,4S*,5R*)-(E)-3,4-diacetoxy-2-(hexa-2,4-diynylidene)-1,6-dioxaspiro[4,5]decane
(2S,3R)-5-hydroxy-6,8,10-trimethoxy-2,3-dimethyl-2,3-dihydro-4H-naphtho[2,3-b]-pyran-4-one|(2S,3R)-5-hydroxy-6,8,10-trimethoxy-2,3-dimethyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one
(+)-ventiloquinone E|(1R,3S)-ventiloquinone E trimethyl ether|Ventiloquinone E|ventiloquinone-E
4-Hydroxy-8-methoxytrypethelon-methylether|7-Me ether,8-methoxy,4-hydroxy-Trypethelone
(Z)-3-METHOXY-6-(3,4,5-TRIMETHOXYSTYRYL)BENZENE-1,2-DIOL
2-[3-(hydroxyl(phenyl)methyl)oxiran-2-yl]-3,5,6-trimethoxyphenol|welwitschin B
Mytilin A
(E)-5-hydroxy-4-(4-hydroxybenzyl)-3-methoxystilbene
metasequirin G|rel-(3R,4S,5S)-5-[(3,4-dihydroxyphenyl)methoxymethyl]tetrahydro-4-(4-hydroxyphenyl)furan-3-ol
metasequirin I|rel-(2R,3S,4R,5R)-tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-(4-hydroxyphenyl)-2H-pyran-3,5-diol
(6E)-6-[(2R)-2-(beta-D-glucopyranosyloxy)cyclopropylidene]hexanoic acid
rel-(5R,6S,7R)-5,6,7,8-tetrahydro-5,6,7-trihydroxy-2-[2-(4-methoxyphenyl)ethyl]-4H-1-benzopyran-4-one
4,4-dihydroxy-6,7,2-trimethoxyisoflavane|cordifoliflavane A
(2R,3S)-7-ethyl-1,2,3,4-tetrahydro-2,3,8-trihydroxy-6-methoxy-3-methyl-9,10-anthracenedione
Methyl 15,16,17,18,19,20-hexadehydroyohimban-16-carboxylate #
[3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 3,4-dimethoxybenzoate
1-(2,6-Dimethoxy-3,4-methylenedioxyphenyl)-3-phenyl-1,3-propanediol
5alpha,6beta,7beta-trihydroxy-8alpha-methoxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone|5??,6??,7??-Trihydroxy-8??-methoxy-2-(2-phenylethyl)-5,6,7,8-tetrahydro chromone
(Z)-2-beta-D-glucopyranosyloxy-3-methoxy-4-(N-methylcarbamoyl)but-2-enenitrile|seco-acalyphin
(4R)-7c,8c-Diaethyl-4-methyl-cyclonona-1,5-dien-1,2,4r,5-tetracarbonsaeure-1,2;4,5-dianhydrid|(4R)-7c,8c-diethyl-4-methyl-cyclonona-1,5-diene-1,2,4r,5-tetracarboxylic acid-1,2;4,5-dianhydride|Dihydro-glauconsaeure|glaucanic acid|Glaucansaeure|Glauconsaeure
10, 11-Didehydro(E-), 7-Ac-(S)-Curvularin|11-O-Acetyldehydrocurvularin
2,3,4,4,6-pentamethoxybenzophenone|2,4,6,3,4-Pentamethoxy-benzophenon|2,4,6,3,4-pentamethoxy-benzophenone|3,4,2,4,6-Pentamethoxy-benzophenon|Penta-Me ether-2,3,4,4,6-Pentahydroxybenzophenone|Pentamethylmaclurin
4-(3-ethoxy-2-hydroxy-3-methyl-butoxy)-furo[3,2-g]chromen-7-one|oxypeucedanin hydrate-3-ethyl ether
6-Hydroxy-3alpha-(5-hydroxyangeloyloxy)-tremetone|6-Hydroxy-3alpha-<5-hydroxyangeloyloxy>-tremetone
Colutehydroquinone
Colutehydroquinone is a natural product found in Colutea arborescens with data available. Colutehydroquinone is an isoflavonoid that can be found in the root bark of Colutea arborescens. Colutehydroquinone exhibits antifungal activity[1].
8-(3-Ethoxy-2-hydroxy-3-methylbutyloxy)psoralen
Spectinomycin
A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic relative retention time with respect to 9-anthracene Carboxylic Acid is 0.046 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol
4-[3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
C19H24O5_6H-2-Benzopyran-6-one, 7,8-dihydro-7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl
C19H24O5_2-Propenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester
Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1].
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based: Match]
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000848242]
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_major
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol_major
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_85.7\\%
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol_56.5\\%
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_minor
Ala Ala Asp Gly
Ala Asp Ala Gly
Ala Asp Gly Ala
Ala Glu Gly Gly
Ala Gly Asp Ala
Ala Gly Glu Gly
Asp Ala Ala Gly
Asp Ala Gly Ala
Asp Gly Ala Ala
Glu Ala Gly Gly
Glu Gly Ala Gly
Glu Gly Gly Ala
Gly Ala Asp Ala
Gly Ala Glu Gly
Gly Asp Ala Ala
Gly Glu Ala Gly
Gly Glu Gly Ala
Gly Gly Glu Ala
4',5,7-Tri-O-methylcatechin
Gibberellin A61
Gibberellin A45
Gibberellin A70
5',8-Dihydroxy-3',4',7-trimethoxyflavan
1-[2-Hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methyl-2,3-butanediol
4-CHLORO-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
tert-Butyl 4-(2-cyano-4-nitrophenyl)piperazine-1-carboxylate
2-(2,3-DIMETHOXYPHENYL)-2-(1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
Ethyl 5-[(4-N-Boc-amino)phenyl]-1,3-oxazole-4-carboxylate
[2-hydroxy-3-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)-2-(O-TOLYLOXY)ACETAMIDE
4-ETHOXY-N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)BENZAMIDE
1,1,2,3-Propanetetracarboxylicacid, 1,1,2,3-tetraethyl ester
Bathophenanthroline
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents
1-(4-ISOBUTYLPHENYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]PROP-2-EN-1-ONE
2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,terephthalic acid
n-(2-hydroxyethyl)-n-methylguanidine sulfate (2:1)
diethyl(3H-1-ethoxy-3-phenoxazinylidene)ammonium chloride
2,5-bis-(Chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene
(4R,4R)-2,2-Cyclopropylidenebis[4,5-dihydro-4-phenyloxazole]
1,3-Dioxane, 5-butyl-2-(3,5-difluoro[1,1-biphenyl]-4-yl)-, trans-
(4S,4S)-2,2-Cyclopropylidenebis[4,5-dihydro-4-phenyloxazole],99\\%e.e.
N~2~-1h-Benzimidazol-5-Yl-N~4~-(3-Cyclopropyl-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine
9H-Purine-9-propanamide, 1,6-dihydro-6-oxo-N-(3-(2-oxo-1-pyrrolidinyl)propyl)-
1-(3,4-Dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
(1aR,4S,4aS,5S,9aS)-4,4a,6-Trimethyl-9-oxo-2,3,4,4a,5,9-hexahydro-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylpropanoate
A natural product found in Pittocaulon velatum.
6-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]hexanoic acid
N-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-2-(1-naphthalenyl)acetohydrazide
(2E,3E)-2-((((R)-4-Methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy)methylene)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enoic acid
2-[4-[[4-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]ethanol
4-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
10-Ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.0^{4,8}]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
4-[3,5-Dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
(2R,3S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2H-1-benzopyran-3-OL
N-(3-((Carboxymethyl)amino)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene)-L-serine
CID 11681509
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Rhabduscin
An isocyanide that is the 4-acetamido-4,6-dideoxy-beta-L-galactopyranoside of p-[(E)-2-isocyanovinyl]phenol. Produced by the gram-negative insect pathogens, Xenorhabdus nematophila and Photorhabdus luminescens, it is a potent nanomolar-level inhibitor of phenoloxidase, a key component of the insects innate immune system.
[(1S,2R,3R,5S,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2-oxirane]-12-yl] (Z)-but-2-enoate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(1R,2R,5S,8S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(1R,2R,5R,8R,9S,10R,11S,13S)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(1R,2R,5R,8R,9S,10R,11S,13R)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(2S)-2-[[(2S)-4-methyl-2-(2-oxopropanoylamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid
5-[[(2R,3R,4S,5R)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]amino]-2,5-dioxopentanoic acid
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-16-oxospiro[15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-6,2-oxirane]-9-carboxylic acid
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
(2R,5R,6R,8R,9S,10R,11S)-11-methyl-16-oxospiro[15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-6,2-oxirane]-9-carboxylic acid
4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium
CID 12304146
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Trp-Ala-Gly
A tripeptide composed of L-tryptophan, L-alanine, and glycine joined by peptide linkages.
1-(4-Chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]urea
(2Z)-1-(3-amino-1-benzofuran-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
1-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]-3-cyclohexylthiourea
(3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester
2-(2-benzoyl-1-pyrrolyl)-N-methyl-N-(phenylmethyl)acetamide
N2-Tert-butyl-6-ethoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
N2-(2-furanylmethyl)-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine
N-[4-[2-(2-oxolanylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic Acid
methyl (1R,9S,10S,11S)-12-(cyclopropanecarbonyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzenesulfonamide
methyl (1S,9R,10R,11R)-12-(cyclopropanecarbonyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]amino}-5-oxopentanoate
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
N-[(Z)-6-Bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
2-[(Z)-2,4-Hexadiynylidene]-3,4-diacetoxy-1,6-dioxaspiro[4.5]decane
2-Trimethyl-siloxycarbonyl-3-trimethylsiloxynaphthalene
1-(Trimethylsilyl)oxy-2-naphthoic acid trimethylsilyl ester
2-(Trimethylsilyl)oxy-1-naphthoic acid trimethylsilyl ester
Zanamivir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AH - Neuraminidase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
(2,3-diphenylcyclopropyl)methyl Phenyl Sulfoxide
A sulfoxide in which the S atom is substituted by a phenyl and (2,3-diphenylcyclopropyl)methyl group. Metabolite observed in cancer metabolism.
Ly93
Ly93 is a selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, with an IC50 of 91 nM[1].
MTK458
MTK458 is an orally active brain penetrant PINK1 activator. MTK458 binds to PINK1 and stabilizes an active heterocomplex, thereby increasing mitophagy. MTK458 can be used for research on Parkinson's disease[1].
(1r,3s)-6,7,9-trimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
2-(4-hydroxyphenyl)ethyl 1-hydroxy-7-methyl-6-oxo-1h,4ah,5h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (2z)-3-{7-[(1e)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-1h-indol-3-yl}-2-(n-hydroxyimino)propanoate
ethyl 2-[7-hydroxy-2-(4-hydroxypent-1-en-1-yl)-4-oxochromen-5-yl]acetate
9-hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.0¹,⁵.0⁴,⁸.0¹¹,¹⁵]heptadec-13-ene-6,12,17-trione
(10s)-4,6,6,10,12,12,14-heptamethyl-2-thia-7,11-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(14),3,7-triene-5,13-dione
3-[(2r)-butan-2-yl]-6-(4-hydroxybenzoyl)-1,5-dimethoxypyrazin-2-one
[(1s,3s,6r,8r,10s)-8-methoxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.0³,⁸]decan-10-yl]methyl benzoate
(3r)-3-(5-hydroxy-2,3,4-trimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
2-ethyl-1,6,7-trihydroxy-3-methoxy-6-methyl-7,8-dihydro-5h-anthracene-9,10-dione
(1r,2r,6s,7s)-2,7-dihydroxy-1,4,5,6,9,10-hexamethyltricyclo[5.3.1.1²,⁶]dodeca-4,9-diene-3,8,11,12-tetrone
(2s)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-8-ol
{3,4,5-trihydroxy-6-[(2-methylpropanoyl)oxy]oxan-2-yl}methyl 2-methylbut-2-enoate
1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
(1r,4s,5r,8s,9r,10r,11s,15r)-9-hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.0¹,⁵.0⁴,⁸.0¹¹,¹⁵]heptadec-13-ene-6,12,17-trione
[(1s,3s,6s,8s,9s)-1-hydroxy-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]methyl benzoate
7,9-dihydroxy-13-methyl-12,19-dioxatricyclo[13.3.1.0⁵,¹⁰]nonadeca-5,7,9,16-tetraene-3,11-dione
9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl 2-methylpropanoate
(1r,3r,5s,7s,8s,11r)-10,10-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.0¹,³.0⁵,⁷]dodecan-11-yl acetate
(3r,7e,9s,10s)-9,10-diethyl-3-methyl-5,14-dioxatricyclo[10.3.0.0³,⁷]pentadeca-1(12),7-diene-4,6,13,15-tetrone
1'-Methoxy-2'-hydroxydihydromollugin
{"Ingredient_id": "HBIN002693","Ingredient_name": "1'-Methoxy-2'-hydroxydihydromollugin","Alias": "methyl 3,6-dihydroxy-4-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5-carboxylate; AC1NSY3P; 1'-methoxy-2'-hydroxydihydromollugin","Ingredient_formula": "C18H20O6","Ingredient_Smile": "CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)O)C","Ingredient_weight": "332.38","OB_score": "26.75654294","CAS_id": "NA","SymMap_id": "SMIT00963","TCMID_id": "13947","TCMSP_id": "MOL003840","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β,6-dihydrosamaderine a
{"Ingredient_id": "HBIN011457","Ingredient_name": "5\u03b2,6-dihydrosamaderine a","Alias": "NA","Ingredient_formula": "C18H20O6","Ingredient_Smile": "CC1=CC(=O)C2(C1CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5704","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-cis-p-coumaroyl-7-deoxyrehmaglutin a
{"Ingredient_id": "HBIN012658","Ingredient_name": "6-o-cis-p-coumaroyl-7-deoxyrehmaglutin a","Alias": "NA","Ingredient_formula": "C18H20O6","Ingredient_Smile": "C1COC2C3C1C(CC3(CO2)O)OC(=O)C=CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4152","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-trans-p-coumaroyl-7-deoxyrehmaglutin a
{"Ingredient_id": "HBIN012723","Ingredient_name": "6-o-trans-p-coumaroyl-7-deoxyrehmaglutin a","Alias": "NA","Ingredient_formula": "C18H20O6","Ingredient_Smile": "C1COC2C3C1C(CC3(CO2)O)OC(=O)C=CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4153","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}