Exact Mass: 296.0872
Exact Mass Matches: 296.0872
Found 500 metabolites which its exact mass value is equals to given mass value 296.0872,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aspulvinone E
A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.
4-Nitrophenyl-3-ketovalidamine
Calophyllin B
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 5 and a prenyl group at position 6.
4'-Hydroxy-R-phenprocoumon
4-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices.
8-Hydroxy-R-phenprocoumon
8-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
Dimethylstrobochrysin
Dimethylstrobochrysin is found in tea. Dimethylstrobochrysin is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Dimethylstrobochrysin is found in tea.
6-Hydroxy-R-phenprocoumon
6-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
7-Hydroxy-R-phenprocoumon
7-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
Desmosflavone
Desmosflavone is found in tea. Desmosflavone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Desmosflavone is found in tea.
Gyrocyanin
Gyrocyanin is found in mushrooms. Gyrocyanin is a constituent of the mushroom Gyroporus cyanescens (cornflower bolete). Constituent of the mushroom Gyroporus cyanescens (cornflower bolete). Gyrocyanin is found in mushrooms.
Demethoxyegonol
Demethoxyegonol is found in mushrooms. Demethoxyegonol is produced by Laetiporus sulphureus var. miniatu
Tyrosyl-Aspartate
Tyrosyl-Aspartate is a dipeptide composed of tyrosine and aspartate. 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.
Aspartyl-Tyrosine
Aspartyl-Tyrosine is a dipeptide composed of aspartate and tyrosine. 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.
DHAP(8:0)
DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. [HMDB] DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts.
5,5',6,6'-Tetrahydroxy-3,3'-biindolyl
3,3-Bi-1H-indole-5,5,6,6-tetrol is found in root vegetables. 3,3-Bi-1H-indole-5,5,6,6-tetrol is a constituent of beetroot peel, Beta vulgaris. A polyphenol compound found in foods of plant origin (PhenolExplorer).
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione is an alkaloid from the wood of Quassia amara (Surinam quassia).
4-Carboxynevirapine
4-Carboxynevirapine is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)
Phenytoin methylcatechol
Phenytoin methylcatechol is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
1-iodo-2-methylundecane
1-iodo-2-methylundecane is classified as a member of the Organoiodides. Organoiodides are compounds containing a chemical bond between a carbon atom and an iodine atom
Penicillamine disulfide
Bentazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Flunixin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
Taltrimide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
Anhydropisatin
Anhydropisatin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, anhydropisatin is considered to be a flavonoid lipid molecule. Anhydropisatin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Anhydropisatin can be found in common pea, which makes anhydropisatin a potential biomarker for the consumption of this food product.
gamma-Aminobutyric acid-betaxanthin
(1alpha,3beta,5beta)-(-)-2-(3-Bromo-2,2,5-trimethylcyclopentyl)-5-methylphenol
4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
4-[(2S,3S)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
Flunixin Meglumine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics CONFIDENCE standard compound; INTERNAL_ID 1148
6-ethoxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
Danshenxinkun A
Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1]. Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1].
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate
7-hydroxy-5-methoxy-6,8-dimethylflavone
A monohydroxyflavone that is flavone substituted by a hydroxy group at position 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
[1,4-bis(4-hydroxyphenyl)-2,3-dimethyl-2-butene-1,4-dione]
7-[2-(4-carboxybuta-1,3-dienyl)phenyl]hepta-2,4,6-trienoic acid
(7S,8R)-2,4-dihydroxy-7,3-epoxy-8,4-oxyneolign-7-yne|4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-carbaldehyde
2-(4-Hydroxy-2-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(4-Hydroxy-2-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
(1S*,2R*,4R*,5R*,6R*,8R*)-4-bromo-2,5,6-trimethyl-11-methylenetricyclo<6.2.1.01,6>undecan-3-one|(1S*,2R*,4R*,5R*,6R*,8R*)-4-bromo-2,5,6-trimethyl-11-methylenetricyclo[6.2.1.01,6]undecan-3-one
(3E)-2,3-dihydro-7-methoxy-3-[(4-methoxyphenyl)-methylene]-4H-1-benzopyran-4-one|(E)-7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxy-benzylidene)-chroman-4-one|7-methoxy-bonducellin|7-O-methyl-bonducellin|7-O-methylbonducellin
1-(1-chloroethyl)-4-oxocyclopent-2-enyl 3-(3-oxocyclopent-1-enyl)propanoate|trichodermone B
3,8-Dimethoxy-5H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole
(2S)-2-[(beta-D-Glucopyranosyl)oxy]butanedioic acid
(E)-2-(2,4-dihydroxyphenyl)-7-methoxy-5-(1-propenyl)benzofuran|2-Hydroxy,7-Methoxy-2-(4-Hydroxyphenyl)-5-(1-propenyl)-benzofuran|2-(2,4-dihydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran
7-hydroxy-3-[6-hydroxyphenyl-2-oxo-ethyl]chromone|terminalianone
2-ethyl-1-hydroxy-8-methoxy-3-methyl-9,10-anthraquinone|2-ethyl-1-hydroxy-8-methoxy-3-methylanthraquinone
(S)-methyl 2-(4-oxo-2-phenylchroman-5-yl)acetate|cryptogione B
(+)-methyl 3-acetoxy-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromone|quinanone A
2-(3-Methoxy-4-hydroxyphenethyl)-4H-1-benzopyran-4-one
2-(2-Hydroxy-4-methoxyphenethyl)-4H-1-benzopyran-4-one
(rel-1S,2R,6R,8S,9R)-8-bromo-2,5,6,9-tetramethyltricyclo[7.2.0.01,6]undec-4-en-3-one
5,7-dimethoxy-6-(1,2,3-trihydroxypropyl)-2H-1-benzopyran-2-one
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propenyl ester
Di-Me ether-2,7-Dihydroxy-1,6-dimethyl-9,10-anthraquinone
6-O-(1-L-maloyl)-alpha/beta-D-glucopyranose|veracylglucan A
2-(2,6-dihydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuran
6-hydroxy-3,3-dimethyl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one|Cordato-oblonguxanthon
(+)-morrisonicolanin|(E)-3-[(2S,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-3-hydroxymethyl-1-benzo[b]furan-5-yl]-2-propenal
6-(2-Hydroxy-3-methyl-3-chlorobutyl)-7-methoxy-2H-1-benzopyran-2-one
2-(2-hydroxy-4-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(2-Hydroxy-4-methoxyphenyl)-5-(3-hydroxy-1-propenyl)benzofuran|2-(2-hydroxy-4-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
Flunixine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3685 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
6-Ethoxy-3(4-hydroxyphenyl)-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.172 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.170
(2-Oxo-2H-chromen-7-yloxy)-phenyl-acetic acid
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-chromen-2-one
Aspulvinone E - Yellow pigment - Found in Aspergillus
methyl 2-[(3-formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoate
OCP_297.1002_16.5
CONFIDENCE Identification confirmed with Reference Standard (Level 1); INTERNAL_ID 1302
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate_major
Asp-tyr
A dipeptide composed of L-aspartic acid and L-tyrosine joined by a peptide linkage.
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
3-(Dimethylamino)-1-(10H-phenothiazin-2-yl)-2-propen-1-one
(R)-1-(3-(6-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOL-2-YL)ISOXAZOL-5-YL)ETHANAMINE
5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE
Octamethylcyclotetrasiloxane
D001697 - Biomedical and Dental Materials D007155 - Immunologic Factors
2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid
1-BENZYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE
Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate
(6R,7R)-7-Amino-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Benzenepropanoic acid, a-benzoyl-b-oxo-, ethyl ester
1-(5-Aminopentyl)-1H-pyrrole-2,5-dione 2,2,2-trifluoroacetate
2-(3-methoxycarbonylphenyl)-3H-benzimidazole-5-carboxylic acid
(4-(BENZYLOXY)-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
[[4-(4-diazonioimino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
3-(4-METHOXYPHENYL)-5-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
(3-Chloro-4-Methoxycarbonyl)Benzeneboronic Acid Pinacol Ester
2-(BIPHENYL-4-CARBONYL)-3-OXO-BUTYRICACIDMETHYLESTER
2,4-DIOXO-4-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRIC ACID METHYL ESTER
methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
sodium,2-hydroxypropyl prop-2-enoate,prop-2-enoate,prop-2-enoic acid
2-Butenedioic acid(2E)-, 1,4-bis(phenylmethyl) ester
5-(3,4-DIMETHOXYBENZYL)PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE
(1-(N,N-DIMETHYLSULFAMOYL)-3-(PYRIDIN-2-YL)-1H-PYRAZOL-4-YL)BORONIC ACID
4-bromo-2-((cyclohexyl(methyl)amino)methyl)aniline
5-(4-METHOXYPHENYL)-3-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methanamine,dihydrochloride
tert-butoxycarbonylamino-(4-nitro-phenyl)-acetic acid
Ethyl 4-[2-(methylsulfonyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-car boxylate
2,4,6-Cycloheptatrien-1-one,3-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]-2-hydroxy-
(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)boronic acid
4-((3-AMINOBENZO[E][1,2,4]TRIAZIN-7-YL)OXY)-N-METHYLPICOLINAMIDE
3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-5-FLUOROBENZONITRILE
4,5-Dihydro-alpha,alpha,3-trimethyl-5-oxo-1-phenyl-1H-pyrazole-4-methanesulfonic acid
2-Deoxy-2,2-difluoro-D-erythro-pentofuranose triacetate
1-Benzyl-2,3-dihydro-1H-indol-6-ylamine dihydrochloride
N-[4-[(4-nitrophenyl)diazenyl]phenyl]prop-2-enamide
2-(4-(TERT-BUTOXYCARBONYLAMINO)-2-NITROPHENYL)ACETIC ACID
2-(5,6-dihydroxy-1H-indol-2-yl)-1H-indole-5,6-diol
Bermoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-[(3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
1-(2,7-Dimethyl-3-imidazo[1,2-a]pyridinyl)-2-(phenylthio)ethanone
4-(4-(2-Chlorophenyl)-1-piperazinyl)-4-oxobutanoic acid
7-(Aminomethyl)-6-(2-Chlorophenyl)-1-Methyl-1h-Benzimidazole-5-Carbonitrile
[2-Carboxylethyl]-10-methyl-anthracene endoperoxide
Bentazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
gamma-Aminobutyric acid-betaxanthin
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
7-Hydroxy-5-methoxy-6,8-dimethylisoflavone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 5, a hydroxy group at position 7 and methyl groups at positions 6 and 8. It has been isolated from the buds of Cleistocalyx operculatus and has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains,H1N1 and H9N2.
2-(5,6-dihydroxy-1H-indol-4-yl)-1H-indole-5,6-diol
2-(5,6-dihydroxy-1H-indol-7-yl)-1H-indole-5,6-diol
(2S)-2-hydroxy-4-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
3-[3-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]propanoyl]benzoic acid
N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
Isoaspulvinone E
A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts an E-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.
2-[(4-Oxo-2-phenyl-1-benzopyran-3-yl)oxy]acetic acid
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
4-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
2-[3-(Formylamino)-2-hydroxybenzoylamino]-3-hydroxybutanoic acid methyl ester
3-(4-Chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one
4-Methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
N-[(E)-(3-phenyl-4-pyrazolylidene)methyl]-2-thiophenecarbohydrazide
Methyl 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetate
(3Z)-3-[(3,4-Dimethoxyphenyl)methylidene]chromen-4-one
6-(4-Ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-Ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-[(2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetic acid
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2H-chromen-2-one
1-iodo-2-methylundecane
An iodoalkane that is undecane substituted by an iodo group at position 1 and a methyl group at position 2. Metabolite observed in cancer metabolism.
5,5,6,6-Tetrahydroxy-3,3-biindolyl
A hydroxyindole that is 1H-indole-5,6-diol substituted by a 5,6-dihydroxy-1H-indol-3-yl group at position 3.
7-demethoxyegonol
A member of the class of 1-benzofurans that is egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis.
TCS1105
TCS1105 is a benzodiazepine ligand with agonist for α2-subunit containing GABAA receptors and antagonist for α1-subunit containing GABAA receptors. TCS1105 reduces anxiety-like behavior in mice. TCS1105 enhances offensive behavior and social dominance. TCS1105 blocks Sema3A induced AGC (axonal growth cones) collapse in a concentration-dependent fashion[1][2].
(2e)-3-[(2s,3r)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(2e)-3-phenylprop-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
6-[(1s,2s)-2-hydroperoxy-1,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one
(2s)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioic acid
5,7-dihydroxy-3-methoxy-2-phenylnaphthalene-1,4-dione
3-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-8-methylphenanthrene-1,4-dione
5,7-dimethoxy-6-[(1s,2s)-1,2,3-trihydroxypropyl]chromen-2-one
(2r,3s)-2-bromo-1,1-dimethyl-5,9-dimethylidenespiro[5.5]undec-7-en-3-ol
4-bromo-2,5,6-trimethyl-11-methylidenetricyclo[6.2.1.0¹,⁶]undecan-3-one
(2r)-2,3-dihydroxypropyl 7-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carboxylate
(2r,3s,6r)-2-bromo-1,1-dimethyl-5,9-dimethylidenespiro[5.5]undec-7-en-3-ol
8,9,10-trihydroxy-4-(4-hydroxyphenyl)-1,6-dioxaspiro[4.5]decan-2-one
3-hydroxy-4-oxo-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]butanoic acid
10-bromo-3,7,11,11-tetramethylspiro[5.5]undeca-3,7,9-trien-1-ol
1-acetyl-4,5-dihydroxy-2-methylanthracene-9,10-dione
2-[5-(3-hydroxyprop-1-en-1-yl)-1-benzofuran-2-yl]-5-methoxyphenol
5-hydroxy-2-(4-hydroxy-3-methylphenyl)-3,7-dimethylchromen-4-one
2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioic acid
(2s,3s,9s)-3-bromo-2-ethyl-9-(pent-2-en-4-yn-1-yl)-2,3,6,7,8,9-hexahydrooxonine
4-{5-[(1e)-3-hydroxyprop-1-en-1-yl]-1-benzofuran-2-yl}-3-methoxyphenol
6-methoxy-3-(4-methoxyphenyl)-7-methylchromen-4-one
2-(7-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
2-amino-4-[cyano(3,4-dihydroxy-5-methoxyphenyl)methoxy]butanoic acid
6-(3-chloro-2-hydroxy-3-methylbutyl)-7-methoxychromen-2-one
[4-(4-bromo-3,3-dimethylcyclohexyl)phenyl]methanol
3-{3,4-dihydroxy-5-[4-(prop-2-en-1-yl)phenoxy]phenyl}prop-2-enal
(3r,3ar,6r,6ar)-3a,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-3-methoxy-dihydro-5h-furo[3,2-b]furan-2-one
(1e,4e)-1-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
1-{2-[(2e,4s)-4-hydroxy-4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-2-ylidene]acetyl}-4-methoxy-5h-pyrrol-2-one
1-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-8-methylphenanthrene-3,4-dione
5,7-dimethoxy-6-(1,2,3-trihydroxypropyl)chromen-2-one
3',4'-methylenedioxy-7-methoxyflavone
{"Ingredient_id": "HBIN007502","Ingredient_name": "3',4'-methylenedioxy-7-methoxyflavone","Alias": "NA","Ingredient_formula": "C17H12O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14369","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3''-methoxyasparenydiol
{"Ingredient_id": "HBIN008819","Ingredient_name": "3''-methoxyasparenydiol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C#CC=CCOC2=CC=C(C=C2)O)O","Ingredient_weight": "296.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13838","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11738011","DrugBank_id": "NA"}
4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
{"Ingredient_id": "HBIN009889","Ingredient_name": "4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "CC#CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14687","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(2s,3s)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
{"Ingredient_id": "HBIN009892","Ingredient_name": "4-[(2s,3s)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "CC#CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14688","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aristololide; 9,10β-dihydro
{"Ingredient_id": "HBIN016824","Ingredient_name": "aristololide; 9,10\u03b2-dihydro","Alias": "NA","Ingredient_formula": "C17H12O5","Ingredient_Smile": "NA","Ingredient_weight": "296.27","OB_score": "NA","CAS_id": "205241-14-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6655","PubChem_id": "NA","DrugBank_id": "NA"}
