Exact Mass: 318.1135
Exact Mass Matches: 318.1135
Found 500 metabolites which its exact mass value is equals to given mass value 318.1135,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Paeoniflorigenone
A natural product found in Paeonia rockii subspeciesrockii. Paeoniflorigenone is a terpenoid with formula C17H18O6, isolated from several species of Paeoniae. It has a role as a neuromuscular agent and a plant metabolite. It is a benzoate ester, a monoterpenoid, a cyclic acetal, an alicyclic ketone, a bridged compound and a lactol. [(1S,3S,6R,8R,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate is a natural product found in Paeonia lactiflora, Paeonia clusii, and other organisms with data available. A terpenoid with formula C17H18O6, isolated from several species of Paeoniae.
Tebupirimfos
CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10232; ORIGINAL_PRECURSOR_SCAN_NO 10230 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10218; ORIGINAL_PRECURSOR_SCAN_NO 10216 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10254; ORIGINAL_PRECURSOR_SCAN_NO 10252 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10208; ORIGINAL_PRECURSOR_SCAN_NO 10207 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10252; ORIGINAL_PRECURSOR_SCAN_NO 10250 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10257; ORIGINAL_PRECURSOR_SCAN_NO 10256
Chlorpromazine
The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class, chlorpromazines antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking dopamine receptors. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2886; ORIGINAL_PRECURSOR_SCAN_NO 2881 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8394; ORIGINAL_PRECURSOR_SCAN_NO 8393 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8389; ORIGINAL_PRECURSOR_SCAN_NO 8387 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2875; ORIGINAL_PRECURSOR_SCAN_NO 2871 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8404 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2956; ORIGINAL_PRECURSOR_SCAN_NO 2953 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2893; ORIGINAL_PRECURSOR_SCAN_NO 2890 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2891; ORIGINAL_PRECURSOR_SCAN_NO 2889 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8400; ORIGINAL_PRECURSOR_SCAN_NO 8399 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8476; ORIGINAL_PRECURSOR_SCAN_NO 8474 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2886; ORIGINAL_PRECURSOR_SCAN_NO 2882 CONFIDENCE standard compound; INTERNAL_ID 774; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8410; ORIGINAL_PRECURSOR_SCAN_NO 8408 N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics CONFIDENCE standard compound; INTERNAL_ID 1121 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Paeonilactone C
4',7-Di-O-methylcatechin
4,7-Di-O-methylcatechin is found in chinese cinnamon. 4,7-Di-O-methylcatechin is a constituent of Chinese cinnamon (Cinnamomum cassia) Constituent of Chinese cinnamon (Cinnamomum cassia). 4,7-Dimethylcatechin is found in chinese cinnamon and herbs and spices.
Histidyltyrosine
Histidyltyrosine is a dipeptide composed of histidine 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.
Asparaginyl-Tryptophan
Asparaginyl-Tryptophan is a dipeptide composed of asparagine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tyrosyl-Histidine
Tyrosyl-Histidine is a dipeptide composed of tyrosine and histidine. 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.
Tryptophyl-Asparagine
Tryptophyl-Asparagine is a dipeptide composed of tryptophan and asparagine. 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.
fluvoxamino acid
fluvoxamino acid is a metabolite of fluvoxamine. Fluvoxamine (brand name Luvox) is an antidepressant which functions as a selective serotonin reuptake inhibitor (SSRI). Fluvoxamine was first approved by the U.S. Food and Drug Administration (FDA) in 1993 for the treatment of obsessive compulsive disorder (OCD). Fluvoxamine CR (controlled release) is approved to treat social anxiety disorder. (Wikipedia)
2-[[(4-Hydroxyphenyl)azo]phenyl]benzoic acid
6-Chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
Nile red
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Pazufloxacin
Agarotetrol
Agarotetrol is a pyranone. Agarotetrol is a natural product found in Aquilaria malaccensis with data available. Agarotetrol is a chromone derivative isolated from Agarwood. Agarotetrol is a chromone derivative isolated from Agarwood.
4-O-Methylsappanol
3-[(3,4-Dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol is a natural product found in Biancaea decapetala and Biancaea sappan with data available.
[3aR-(3aalpha,4alpha,9aalpha,9bbeta)]-4-(Acetyloxy)-3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-azuleno[4,5-b]furan-2,7-dione
5-methoxy-3-(3-methyl-2,3-dihydroxybutyl)psoralen
5-Methoxy-8-(1,1-dimethyl-2,3-dihydroxypropyl)-psoralen
6-Methoxy-5-(3-methyl-2,3-dihydroxybutyl)-angelicin
2-O-??-D-Glucopyranoside-4-Hydroxy-4-(2-hdyroxyethyl)-2-cyclohexen-1-one
((3R,3aR,6aR)-5-oxo-6a-(2-oxopropyl)hexahydrofuro[2,3-b]furan-3-yl)methyl benzoate|paeonilide
(1aS,3R,4R,4aR,6S,7R,8aS)-7-chloro-3,6-dihydroxy-3,4a,8,8-tetramethyl-octahydro-1aH-naphtho[1-b]oxirene-4-carboxylic acid
1(2H)-Anthracenone, 3,4-dihydro-2,3,8,9-tetrahydroxy-6-methoxy-3,7-dimethyl-
rel-8alpha,11alpha;9alpha,11alpha-diepoxy-1,4-dihydroxy-2-methoxy-8abeta-methyl-5,6,7,8,8a,9,10,10abeta-octahydro-10-anthracenone
3-O-Acetylhamaudol
3'-O-Acetylhamaudol, isolated from Angelica polymorpha, exhibits anti-tumor activity through dual actions, anti-angiogenesis and intestinal intraepithelial lymphocyte activation[1].
(5S,6S)-(+)-5-Acetoxy-6-methoxy-kawain|(5S,6S)-5-Acetyloxy-5,6-dihydro-4,6-dimethoxy-6-(2-phenylethenyl)-2H-yl-pyran-2-one
7-Methoxy-8-(2-acetoxy-1-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
3,5-dihydroxy-4,5-dimethoxy-2-methyl-[1,1-biphenyl]-2-carboxylic acid methyl ester
4-Methoxy-9-(2,3-dihydroxy-1,1-dimethylpropyl)-7H-furo[3,2-g][1]benzopyran-7-one
3,4-Dihydro-3-(2,3-dihydroxy-4-methoxyphenyl)-8-methoxy-2H-1-benzopyran-7-ol
pterolinus E
A member of the class of 1,4-benzoquinones that is substituted by a methoxy group at position 5 and a propan-2-yl group at position 2 which in turn is substituted by a hydroxy group and a 3-hydroxy-4-methoxyphenyl groups at position 1. It has been isolated from Pterocarpus santalinus.
1,2,3,4-tetrahydro-3alpha,5-dihydroxy-6,7-dimethoxy-2beta-methylanthracene-9,10-dione|psiconnatanone A
5,7-dihydroxy-3,6-dimethoxy-2-(1,1-dimethylprop-2-enyl)naphthalene-1,4-dione|6,8-dihydroxy-2,7-dimethoxy-3-(1,1-dimethylprop-2-enyl)-1,4-naphthoquinone
4,6,4-trihydroxy-7,2-dimethoxyisoflavane|cordifoliflavane B
7-Methoxy-10-benzoyl-4,5-(iminoethano)-1,4-dihydroquinoline-9,4(11)-diene-8-ol
4-hydroxy-6-methoxy-gamma,7-dimethyl-3-oxo-5-phthalansorbic acid|6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-phthalan-5-yl)-4-methyl-hexa-2t(?),4t(?)-diensaeure|6-<4-Hydroxy-6-methoxy-7-methyl-3-oxo-phthalan-5-yl>-4-methyl-hexa-2t(?),4t(?)-diensaeure|6-<4-Hydroxy-6-methoxy-7-methyl-3-oxo-phthalan-5-yl>-4-methyl-hexadien-2,4-saeure
5-(2,3-Dihydroxy-3-methylbutyl)-6-methoxy-2H-furo[2,3-h][1]benzopyran-2-one
9-(2-Hydroxy-3-methoxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
(1beta,6alpha,8?鈥?9Z)-Ac-1-Hydroxy-4,7,9-germacratriene-12,8:15,6-olide
(10bRS)-3,10b-dihydro-8,10,10b-trimethoxy-4-methyl-2H-naphtho[1,2-b]pyran-5,6-dione|colelomycerone A
(2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one
7-Methoxy-8-(1-acetoxy-2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
10-O-MethylprotosappaninB
4-O-Methylepisappanol
4-O-Methylepisappanol is a natural product found in Alpinia japonica, Biancaea decapetala, and Biancaea sappan with data available.
Oxypeucedanin methanolate
(+)-4-[(R)-2-Hydroxy-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one is a natural product found in Angelica japonica and Prangos pabularia with data available.
Isoagarotetrol
Isoagarotetrol is a natural product found in Aquilaria sinensis and Aquilaria malaccensis with data available.
Paeoniflorgenin
5-(3-Furan-2-yl-acryloyl)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one
C17H18O6_(2S,6R)-2,4,6-Trimethoxy-6-methyl-3H,4H-spiro[1-benzofuran-2,1-cyclohex[2]ene]-3,4-dione
Pazufloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848055]
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based on: CCMSLIB00000847733]
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based: Match]
chlorpromazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one_major
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate_major
Ala Asp Gly Gly
Ala Gly Asp Gly
Asp Ala Gly Gly
Asp Gly Ala Gly
Asp Gly Gly Ala
Glu Gly Gly Gly
Gly Ala Asp Gly
Gly Asp Ala Gly
Gly Asp Gly Ala
Gly Glu Gly Gly
Gly Gly Asp Ala
His-tyr
A dipeptide formed from L-histidine and L-tyrosine residues.
Tyr-his
A dipeptide formed from L-tyrosine and L-histidine residues.
4',7-Di-O-methylcatechin
(2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione
Methyl 4-acetoxy-5,8-dimethoxy-6-methyl-2-naphthoate
Methyl 4-acetoxy-6,7-dimethoxy-8-methyl-2-naphthoate
methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
3-Pyridazinecarboxylic acid, 6-(4-fluoro-2-methylphenyl)-, 2-(methoxyacetyl)hydrazide
(S)-5-AMINO-2-(BENZYLOXYCARBONYLAMINO)PENTANOIC ACID
1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(4-ethenylphenyl)methylpropylamino-
(9H-FLUOREN-9-YL)METHYL 2,3-DIAMINOPROPANOATE HYDROCHLORIDE
2-MORPHOLIN-4-YL-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
METHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[B]THIOPHENE-2-CARBOXYLATE
2-Naphthalenecarboxylicacid, 4-(acetyloxy)-7,8-dimethoxy-, ethyl ester
6-(4-methoxyphenyl)-5-pyridin-3-ylfuro[2,3-d]pyrimidin-4-amine
4-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)butanoic acid
2-(4-FLUOROBENZYL)-9-HYDROXY-6-METHOXY-3,4-DIHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-1,8(2H)-DIONE
N-(3-methoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Thioflavin T
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
3-(3,5-DIMETHOXYPHENYL)-1-(2-NAPHTHYL)PROP-2-EN-1-ONE
METHYL 6-N-BOC-AMINO-3-FORMYL-1H-INDOLE-4-CARBOXYLATE
Benzoic acid,4-(phenylmethoxy)-, phenylmethyl ester
3-(4-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
N,N-Di-t-butyl-2,3-diaMidobutanetin(II), 98\\%, 50-1150, contained in 50 Ml Swagelok cylinder (96-1070) for CVD/ALD
(2S,5R)-6-(benzyloxy)-N-formyl-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
LT175, a dual PPARα/γ ligand, is an orally active partial agonist against PPARγ(hPPARα:EC50=0.22 μm; mPPARα:EC50=0.26 μm; hPPARγ:EC50=0.48 μm). LT175 interacts with PPARγ and affects the recruitment of the coregulators cyclic-AMP response element-binding protein-binding protein and nuclear corepressor 1 (NCoR1). LT175 interacts with PPARγ in a hydrophobic region called “diphenyl pocket”. LT175 has potent insulin-sensitizing effects and reduced adipogenic properties[1].
(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1-one
7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-
Thiazole, 4-(4-nitrophenyl)-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
2-(Methylthio)-7-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
3-(6-Benzyloxy-naphthalen-2-yl)-acrylic acid methyl ester
(2E,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione
2-[[Cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester
2-(4-Hydroxy-5-phenyl-1H-pyrazol-3-YL)-1H-benzoimidazole-5-carboxamidine
(7r,8r)-8-(2,4,5-Trifluorophenyl)-6,7,8,9-Tetrahydroimidazo[1,2-A:4,5-C]dipyridin-7-Amine
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]ethyl-methylazanium
4-Senecioyloxymethyl-6,7-dimethoxycoumarin
A member of the class of coumarins that consists of coumarin substituted by a senecioyloxymethyl group at position 4 and methoxy groups at positions 6 and 7. Isolated from Crinum latifolium, it exhibits anti-angiogenic activity.
5-[(3,4-Dimethoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
[5-(2,5-Dimethoxyphenyl)-3-isoxazolyl]-(4-morpholinyl)methanone
3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-3-(1-oxopropyl)-2-oxolanone
5-[[2-(Trifluoromethyl)anilino]methyl]-8-quinolinol
Ethyl 4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
6-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
2-[2-(Difluoromethoxy)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
3-(1-Azepanyl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dione
[4-(3-Chlorophenyl)-1-piperazinyl]-(2,5-dimethyl-3-furanyl)methanone
N-(2-methoxy-3-dibenzofuranyl)-3-pyridinecarboxamide
(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
methyl 5-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
3-(4-Hydroxyphenyl)-9-methyl-5,9-diaza-14-azoniatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,8(15),10-pentaen-7-one
Triethyl 2-carboxymethyl-1,2,3-propane-tricarboxylate
6-Chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
NK372135A
A dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 4-methoxybenzylidene groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity.
4-{[(2s)-2,4-dihydroxy-4-methylpentyl]oxy}furo[3,2-g]chromen-7-one
10-hydroxy-5,7-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
(1r,3s)-10-hydroxy-5,7-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
(3s)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7,8-diol
methyl (3r,4s)-3,4,6-trihydroxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate
6-(4,8-dihydroxy-2-methoxy-5-oxo-7,8-dihydro-6h-naphthalen-1-yl)-3-methyl-5,6-dihydropyran-2-one
(1r,7r,8r,10r)-3,8-dimethyl-14-oxo-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadeca-2(6),3,13(16)-trien-7-yl acetate
(2r,6's)-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
2-[5-acetyl-3-(acetyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
7-hydroxy-5-methoxy-4-methyl-6-[(1e)-2-[(2s)-2-methyl-5-oxooxolan-2-yl]ethenyl]-3h-2-benzofuran-1-one
4-[2-(3,4-dihydroxyphenyl)-5-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
2,4-dimethoxy-6-oxo-2-(2-phenylethenyl)-3h-pyran-3-yl acetate
(2r,3r,4s)-8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,4,7-triol
2,3,8,9-tetrahydroxy-6-methoxy-3,7-dimethyl-2,4-dihydroanthracen-1-one
(1r,2s)-2-(acetyloxy)-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
5-hydroxy-6,8,10-trimethoxy-2-methyl-2h,3h-naphtho[2,3-b]pyran-4-one
6-[(2s)-2,3-dihydroxy-3-methylbutyl]-4-methoxyfuro[3,2-g]chromen-7-one
(2r,3r)-3-hydroxy-2-(hydroxymethyl)-4-methoxy-4-oxobutyl (2e,4s,5s,6e)-4,5-dihydroxyocta-2,6-dienoate
3-(7-hydroxy-8-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl)-6-methoxybenzene-1,2-diol
5-[(2r)-2,3-dihydroxy-3-methylbutyl]-6-methoxyfuro[2,3-h]chromen-2-one
(6r)-6-[(2s)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl]-5,6-dihydropyran-2-one
(2r,3's)-3'-ethyl-4-methoxy-3'-[(2r,3r)-3-methyl-5-oxooxolan-2-yl]spiro[1-benzofuran-2,2'-oxiran]-3-one
(3r,4s)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydro-1-benzopyran-3,7-diol
(1r,7s,8s,10r)-3,8-dimethyl-14-oxo-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadeca-2(6),3,13(16)-trien-7-yl acetate
2-[(2r,3s)-5-acetyl-3-(acetyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
(1r,2r)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl acetate
[(1s,3s,6r,8r)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.0³,⁸]decan-10-yl]methyl benzoate
3'-O-Acetylhamaudol
{"Ingredient_id": "HBIN009026","Ingredient_name": "3'-O-Acetylhamaudol","Alias": "[(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate; Hamaudol acetate; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] acetate; 3'-o-acetylhamaudol; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ethanoate; acetic acid [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; acetic acid [(7S)-5-hydroxy-4-keto-2,8,8-trimethyl-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; AC1NSTKZ","Ingredient_formula": "C17H18O6","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)OC(=O)C)(C)C)O","Ingredient_weight": "318.32 g/mol","OB_score": "26.20957628","CAS_id": "NA","SymMap_id": "SMIT12600;SMIT14142","TCMID_id": "407","TCMSP_id": "MOL011731","TCM_ID_id": "24343","PubChem_id": "5315865","DrugBank_id": "NA"}
3'-o-methyl episappanol
{"Ingredient_id": "HBIN009354","Ingredient_name": "3'-o-methyl episappanol","Alias": "3'-o-methylepisappanol","Ingredient_formula": "C17H18O6","Ingredient_Smile": "COC1=C(C=CC(=C1)CC2(COC3=C(C2O)C=CC(=C3)O)O)O","Ingredient_weight": "318.32","OB_score": "NA","CAS_id": "111254-22-9","SymMap_id": "NA","TCMID_id": "14395","TCMSP_id": "NA","TCM_ID_id": "8010;24347","PubChem_id": "NA","DrugBank_id": "NA"}
albiflorin-1
{"Ingredient_id": "HBIN015075","Ingredient_name": "albiflorin-1","Alias": "NA","Ingredient_formula": "C17H18O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "858","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
