Exact Mass: 292.1185
Exact Mass Matches: 292.1185
Found 500 metabolites which its exact mass value is equals to given mass value 292.1185,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Coumatetralyl
CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9425; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4993; ORIGINAL_PRECURSOR_SCAN_NO 4992 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9475; ORIGINAL_PRECURSOR_SCAN_NO 9473 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9525; ORIGINAL_PRECURSOR_SCAN_NO 9523 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4997; ORIGINAL_PRECURSOR_SCAN_NO 4994 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9510 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9466; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4985; ORIGINAL_PRECURSOR_SCAN_NO 4984 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9526; ORIGINAL_PRECURSOR_SCAN_NO 9525 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4976; ORIGINAL_PRECURSOR_SCAN_NO 4974 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4948; ORIGINAL_PRECURSOR_SCAN_NO 4946 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4987; ORIGINAL_PRECURSOR_SCAN_NO 4984 D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
SB 206553
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
(1R,5aS,6R)-4a-Hydroxy-1,4,4a,5,5a,6,9,10a-octahydrophenazine-1,6-dicarboxylate
11,12-Dimethoxydihydrokawain
11,12-Dimethoxydihydrokawain is found in beverages. 11,12-Dimethoxydihydrokawain is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
Pantoyllactone glucoside
Pantoyllactone glucoside is found in cereals and cereal products. Pantoyllactone glucoside is isolated from rice seedlings (Oryza sativa). Isolated from rice seedlings (Oryza sativa). Pantoyllactone glucoside is found in cereals and cereal products.
Phenylbutyrylglutamine
Phenylbutyrylglutamine has been identified as a new metabolite of phenylbutyrate in human plasma and urine. Phenylbutyrate is used in humans for treating inborn errors of ureagenesis, certain forms of cancer, cystic fibrosis and thalassemia. After administration of phenylbutyrate to normal humans, the cumulative urinary excretion of phenylacetate, phenylbutyrate, phenylacetylglutamine and phenylbutyrylglutamine amounts to about half of the dose of phenylbutyrate. [HMDB] Phenylbutyrylglutamine has been identified as a new metabolite of phenylbutyrate in human plasma and urine. Phenylbutyrate is used in humans for treating inborn errors of ureagenesis, certain forms of cancer, cystic fibrosis and thalassemia. After administration of phenylbutyrate to normal humans, the cumulative urinary excretion of phenylacetate, phenylbutyrate, phenylacetylglutamine and phenylbutyrylglutamine amounts to about half of the dose of phenylbutyrate.
(2S,4S)-Monatin
(2S,4S)-Monatin is a constituent of the roots of Schlerochiton ilicifolius. High intensity sweetener. Constituent of the roots of Schlerochiton ilicifolius. High intensity sweetener
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is found in herbs and spices. (all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). (all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is found in herbs and spices.
Coriandrone A
Constituent of Coriandrum sativum (coriander). Coriandrone A is found in coriander and herbs and spices. Coriandrone A is found in coriander. Coriandrone A is a constituent of Coriandrum sativum (coriander).
Fusarochromanone
Fusarochromanone is found in animal foods. Fusarochromanone is a mycotoxin produced by Fusarium roseum and the cereal fungus Fusarium equiseti (Fusarium graminearum). Affects growth and development of poultry. Mycotoxin production by Fusarium roseum and the cereal fungus Fusarium equiseti (Fusarium graminearum). Affects growth and development of poultry. Fusarochromanone is found in animal foods.
Coriandrone B
Constituent of Coriandrum sativum (coriander). Coriandrone B is found in coriander and herbs and spices. Coriandrone B is found in coriander. Coriandrone B is a constituent of Coriandrum sativum (coriander).
N-gamma-Glutamyl-S-propylcysteine
Isolated from garlic (Allium sativum) and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-propylcysteine is found in many foods, some of which are garlic, chives, soft-necked garlic, and onion-family vegetables. N-gamma-Glutamyl-S-propylcysteine is found in chives. N-gamma-Glutamyl-S-propylcysteine is isolated from garlic (Allium sativum) and chives (Allium schoenoprasum).
Histidylhistidine
Histidylhistidine is a dipeptide composed of two histidine residues. 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.
Canavaninosuccinate
Canavaninosuccinate is formed from ureidohomoserine and aspartate by a human or bovine liver extract that had high argininosuccinate synthetase (EC 6.3.4.5) activity, and the subsequent formation of guanidinosuccinate is done by reductive cleavage. In the presence of ATP the optimum pH for the synthetic reaction is 8.4. This reaction can be carried out in either a tris(hydroxymethyl)aminomethane or borate buffer. Subsequent addition of dithiothreitol in the presence of Fe2+ resulted in the cleavage of some of the synthesized canavaninosuccinate to form guanidinosuccinate and homoserine. Synthesis of canavaninosuccinate was strongly inhibited by added argininosuccinate, less so by canavaninosuccinate, arginine, canavanine, glycine, or 2,3-dimercaptopropanol. All the reactions, starting with canavaninosuccinate and down to the formation of guanidinoacetate and guanidinosuccinate have been demonstrated in human tissue ( (PMID: 241511) [HMDB]. Canavaninosuccinate is found in many foods, some of which are common grape, guava, bamboo shoots, and cabbage. Canavaninosuccinate is formed from ureidohomoserine and aspartate by a human or bovine liver extract that had high argininosuccinate synthetase (EC 6.3.4.5) activity, and the subsequent formation of guanidinosuccinate is done by reductive cleavage. In the presence of ATP the optimum pH for the synthetic reaction is 8.4. This reaction can be carried out in either a tris(hydroxymethyl)aminomethane or borate buffer. Subsequent addition of dithiothreitol in the presence of Fe2+ resulted in the cleavage of some of the synthesized canavaninosuccinate to form guanidinosuccinate and homoserine. Synthesis of canavaninosuccinate was strongly inhibited by added argininosuccinate, less so by canavaninosuccinate, arginine, canavanine, glycine, or 2,3-dimercaptopropanol. All the reactions, starting with canavaninosuccinate and down to the formation of guanidinoacetate and guanidinosuccinate have been demonstrated in human tissue ( (PMID: 241511).
Mono-(2-ethyl-5-oxohexyl) phthalate
Mono-(2-ethyl-5-oxohexyl) phthalate, also known as 2-{[(2-ethyl-5-oxohexyl)oxy]carbonyl}benzoic acid, mono(2-Ethyl-5-oxohexyl) phthalate or phthalate mono(2-ethyl-5-oxohexyl) ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono-(2-ethyl-5-oxohexyl) phthalate is considered to be practically insoluble (in water) and acidic. (ChemoSummarizer). Mono-(2-ethyl-5-oxohexyl) phthalate is a metabolite of mono(2-ethylhexyl) phthalate (MEHP) and a secondary metabolite of di(2-ethylhexyl) phthalate (DEHP).
(+-)-(4Ar*,10R*,10aS*)-8-Chloro-1,2,3,4,10,10a-hexahydro-2-methyl-4a,10-(iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridin-12-one
1-(2-Aminoacetyl)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
Cladosporin
D004791 - Enzyme Inhibitors
11b,13-Dihydrolactucin
11b,13-dihydrolactucin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucin can be found in a number of food items such as endive, chicory, dandelion, and romaine lettuce, which makes 11b,13-dihydrolactucin a potential biomarker for the consumption of these food products.
Curvularin
Climbazole
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 8183
3-Methyl-1-morpholinopyrido[1,2-a]benzimidazole-4-carbonitrile
Benzyldiphenylphosphine oxide
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 13
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxy-1-benzopyran-2-one
plectranthon C|Plectranthon C ( = 3-Hydroxy-7,8-dimethyl-2-(prop-2-enyl)phenanthren-1,4-dion)|Plectranthone C
O1-(2-Aethyl-butyryl)-beta-D-glucopyranuronsaeure|O1-(2-ethyl-butyryl)-beta-D-glucopyranuronic acid
3-methoxytanapartholide|3-O-methyl-iso-secotanapartholide|3beta-methoxyisosecotanapartholide|Iso-seco-tanapartholide-3-O-methyl ether
(+)-7-methoxy-6-(2R-methoxy-3-hydroxy-3-methylbutyl)coumarin
1alpha-hydroxy-9alpha,5beta-epoxy-4,10-dimethyl-6-oxo-7-(1-carbomethoxy-ethyliden)-cyclodeca-7Z,9Z-diene
(3S)-2,2-dimethyl-3,5-dihydroxy-8-hydroxymethyl-3,4-dihydro-2H,6H-benzo<1,2-b:5,4-b>dipyran-6-one|(3S)-2,2-dimethyl-3,5-dihydroxy-8-hydroxymethyl-3,4-dihydro-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
4-[(2E)-but-2-enoyl]-2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|penicilliol A
botryosphaerin A|rel-(3aS,5aR,10aS,10bS,10cR)-1,2,3,3a,5a,7,10,10a,10b,10c-decahydro-10a-hydroxy-3a,10b-dimethyl-4H,9H-[2]benzofuro[7,1-fg]isochrome-4,9-dione
15-nor-1beta,4alpha,13,14-tetrahydroxy-8,11,13-podocarpatrien-7-one
4beta-hydroperoxy-9-alpha-methoxy-5alphaH-guaia-1(10),3,11(13)-trien-12,6alpha-olide
Me ester-(1(10)E,4Z,8xi)-8-Hydroxy-1(10),4,7(11)-germacratrien-12,8-olid-15-oic acid
(1aSR,6SR,7RS,7aRS,7bSR)-1a-acetyl-1a,2,4,5,6,7,7a,7b-octahydro-7,7a-dimethyl-2-oxonaphtho[1,2-b]oxiren-6-yl acetate|3beta-(acetyloxy)-6alpha,7alpha-epoxy-11-noreremophil-9(10)-ene-8,11-dione
Me ester-(1(10)E,4Z,6alpha)-15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid|Methyl 15-hydroxygermacra-1(10)E,4Z,11(13)-trien-6alpha,12-olide-14-oic acid
4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl (2Z)-2-methylbut-2-enoate|nervolan B
Asperentin
A member of the class of isocoumarins that is 6,8-dihydroxy-3,4-dihydro-1H-isochromen-1-one substituted by a [6-methyltetrahydro-2H-pyran-2-yl]methyl group at position 3. It has been isolated from the fungus Chaetomium globosum and Aspergillus flavus. D004791 - Enzyme Inhibitors
ferulic acid hexan-3-onyl ether|trans-ferulic acid-O-hexan-3-onyl ether
3-O-demethyl-3-epidiatretol|lepistamide B|rel-(3R,6R)-3,6-dihydroxy-3-(2-methylpropyl)-6-(phenylmethyl)piperazine-2,5-dione
1beta,8beta-epoxy-2alpha-methoxy-6-oxogermacra-9(10), 7(11)-dien-8,12-olide
(2S,3S,4R,5R)-2,5-epoxy-3,4-dimethyl-8,9,10-trimethoxy-6,11-benzocycloheptan-1-one|gymnothedelignan B
(1aR,4S,4aR,8aR,9aS)-2,3,4,4a,8a,9-hexahydro-8a-methoxy-4,4a,6-trimethyl-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5,7-dione|1beta,10beta-epoxy-8alpha-methoxy-6-oxoeremophil-7(11)-en-12,8beta-olide
7-methoxy-8-(2-methoxy-3-hydroxy-3-methylbutyl)coumarin
3-<(N-acetyl-L-seryl)amino>-3,6-dideoxy-D-glucose|3-[(N-acetyl-L-seryl)amino]-3,6-dideoxy-D-glucose
6-Methoxy-7-(2-hydroxy-3,3-dimethylbutoxy)coumarin
3-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)propanoic acid
1beta-acetoxy-8beta-hydroxyeudesmen-4(15),7(11)-dien-8alpha,12-olide
2,7-Dimethyl-2-(4-methyl-3-pentenyl)-8-chloro-2H-1-benzopyran-5-ol
11-hydroxy-3,8-dioxo-eudesman-1,4-dien-12-oic acid methyl ester
2-(3-Methylene-7-methyl-1-oxo-4,7-epidioxyoctane-1-yl)-1,4-benzenediol
O1-((1Xi)-trans-2-hydroxy-cyclohexyl)-beta-D-glucopyranuronic acid|O1-((1Xi)-trans-2-Hydroxy-cyclohexyl)-beta-D-glucopyranuronsaeure
(4-methyl-3-oxo-pentyl)-ferulate|<4-methyl-3-oxo-pentyl>-ferulate
8beta-methoxy-eremophil-7(11)-en-6alpha,15;8alpha,12-diolide|8beta-methoxyeremophil-7(11)-en-6alpha,15;8alpha,12-diolide|8beta-methoxyeremophil-7(11)-ene-12,8alpha(4beta,6alpha)-diolide
(1E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
Climbazol
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2364 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2739
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
C12H20O8_(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate
(3R)-4,4-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
COUMATETRALYL
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847919]
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one_major
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate_major
His-his
A dipeptide formed from two L-histidine residues.
Coriandrone A
Coriandrone B
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
Pantoyllactone glucoside
4-(1-Acetyloxypropen-2-yl-)-2-methoxyphenylisobutyrat
TERT-BUTYL 2-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE-7(8H)-CARBOXYLATE
TRANS-1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-2-YL)PYRROLIDINE-3-CARBOXYLIC ACID
beta-Alanine, N-(2-aminoethyl)-N-[2-(2-carboxyethoxy)ethyl]-, N-coco acyl derivs., disodium salts
4-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-TRIFLUOROMETHYLPHENYLAMINE
ETHYL 1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLATE
4-pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
N-tert-Butoxycarbonyl-S-acetamidomethyl-D-cysteine
4-(cyclohexylamino)-3-nitro-benzoic acid ethyl ester
5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxylic acid
5(4H)-Oxazolone,4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl-
4-(N-Ethyl-N-2-hydroxyethyl)-2-methylphenylenediamine sulfate
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
8-(1-butoxyethenyl)-7-chloro-2-methoxy-1,5-naphthyridine
ethyl 6-(2-cyclopentylethyl)imidazo[2,1-b]thiazole-5-carboxylate
4-Quinolinecarboxylic acid, 2-((2,4-dimethylphenyl)amino)-
(1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)BORONIC ACID
6-Tert-Butyl 2-Methyl 7,8-Dihydro-1,6-Naphthyridine-2,6(5H)-Dicarboxylate
3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride
3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
3-(methyl(2-morpholinoethyl)carbamoyl)benzoic acid
((4-((4-FLUOROPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIMETHYLSILANE
2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-5-(TRIFLUOROMETHYL)ANILINE
1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Ethyl 4-hydroxy-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
4-(2-HYDRAZONO-2-(PYRIDIN-2-YL)ETHYL)-7-METHOXYQUINOLINE
tert-Butyl 3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
N-benzyl-2-(1H-indol-3-yl)-N-methyl-2-oxo-acetamide
(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride
1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[[2-(triMethylsilyl)ethoxy]Methyl]-
Pyrimido[1,2-a]benzimidazol-4-amine, N-(3-fluorophenyl)-2-methyl- (9CI)
(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)(4-(2-HYDROXYETHYL)PIPERAZIN-1-YL) METHANONE
METHYL (2S,4S)-4-(BENZYLOXYCARBONYLAMINO)PIPERIDINE-2-CARBOXYLATE
5-tert-butylsulfonyl-2-pyridin-4-ylpyrimidin-4-amine
5-METHYL-1-(3-PYRIDYLCARBAMOYL)-1,2,3,5-TETRAHYDROPYRROLO [2,3-F]INDOLE
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
BENZYL 4-(AMINOMETHYL)PHENYL CARBAMATE HYDROCHLORIDE
2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
2-(4-dimethylamino-phenyl)-quinoline-4-carboxylic acid
1-Benzyl-3-methoxy-piperidin-4-ylamine dihydrochloride
acetic acid, [2-acetyl-5-[(3-methyl-2-butenyl)oxy]phenoxy]-, methyl ester
7,8,10,11,13,14-Hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4(3H)-one
5-[(DIMETHYLAMINO)METHYL]-3-(1-METHYL-1H-INDOL-3-YL)-1,2,4-OXADIAZOLEHCL
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid
1,3,5,7-tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane
2-(1H-1,2,3-TRIAZOL-4-YL)PYRIDINE AND 2-(2H-1,2,3-TRIAZOL-4-YL)PYRIDINE
(2-(TRIETHYLSILYL)BENZO[B]THIOPHEN-7-YL)BORONIC ACID
8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-ACETIC ACID
tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate
7-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
1-(3,6-diphenyl-1H-1,2,4,5-tetrazin-2-yl)propan-1-one
2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE
4-(n-Acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid
Bifluranol
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
(4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid
1-({2-[2-(4-Chlorophenyl)ethyl]-1,3-Dioxolan-2-Yl}methyl)-1h-Imidazole
(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
4-[4-(2,5-Dioxo-pyrrolidin-1-YL)-phenylamino]-4-hydroxy-butyric acid
13,15-Dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose
4-[(4E,6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]cyclohexa-3,5-diene-1,2-dione
2-[[amino-[[(3S)-3-amino-3-carboxypropoxy]amino]methylidene]amino]butanedioic acid
(5E,8E)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
[3-Carboxy-2-(3-carboxy-2-hydroxybutanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-methylsulfanyl-2-oxobutanoyl)oxypropyl]-trimethylazanium
(1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
3-O-methyl-isosecotanapartholide
A sesquiterpene lactone that is isosecotanapartholide in which the hydroxy group at position 3 is replaced by a methoxy group. Isolated from Artemisia iwayomogi and Tanacetum cilicicum, it acts as an inhibitor of nitric oxide synthase.
(2E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-2,4,6-trien-1-one
2H-Pyran-2-one, 6-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dihydro-4-methoxy-, (S)-
3-[4-(2-hydroxyethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
2-(benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
(S)-climbazole
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4-thiane]carbonitrile
5-Amino-1-(2-hydroxyethyl)-3-(1-naphthalenylmethyl)-4-pyrazolecarbonitrile
4-[(1-Ethyl-6-methyl-4-pyrazolo[3,4-b]pyridinyl)oxymethyl]benzonitrile
N-(3,4-Dimethoxybenzylidene)-3-(ethylthio)-4H-1,2,4-triazol-4-amine
4-Phenyl-2-[(pyridin-3-ylamino)methylidene]cyclohexane-1,3-dione
2-[(2-Acetamido-1-oxoethyl)amino]-3-phenylpropanoic acid ethyl ester
5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one;hydrate
1-(4-Methoxyphenyl)-2-(1-methyl-2-isoquinolin-2-iumyl)ethanone
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(1R,5S)-3-methylsulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
(allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid
2-[4-[(1E,8E)-deca-1,8-dienyl]-2,5-dioxofuran-3-yl]acetic acid
Methyl 2-(N-((4S,5R)-4-methyl-5-phenyl-2-oxazolidinone-3-carbamoyl))aminoacetate
4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
1,7-bis-(4-hydroxyphenyl)-2,4,6-heptatrienone
An enone that consists of 7-oxohepta-1,3,5-triene-1,7-diyl moiety substituted by a 4-hydroxyphenyl substituent at C-1 and at C-7. It is isolated from the rhizomes of Etlingera elatior and has been found to inhibit lipid peroxidation.
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one
A diarylheptanoid that is 1,4,6-heptatrien-3-one substituted by 4-hydroxypheny group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma domestica and Etlingera elatior.
mono(2-Ethyl-5-oxohexyl) phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol.
3'-Azido-3'-deoxyadenosine
3'-Azido-3'-deoxyadenosine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1]. 3'-Azido-3'-deoxyadenosine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
(1r,7r,9r,10s,12s,14r)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0³,⁷.0¹⁰,¹²]pentadec-3-en-5-one
3-ethyl-6h,7h-indolo[2,3-a]quinolizine-2-carboxylic acid
6-(3-methylbut-2-en-1-yl)phenazine-1-carboxylic acid
10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadecane-7,15-dione
3-oxohexyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
12,14-dihydroxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
(4s,6s)-6-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-one
10,10-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-2,6,9-trioxatetracyclo[6.4.0.0¹,³.0⁵,⁷]dodecane-4,11-diol
methyl (2s)-2-[(2s,4ar)-4a,8-dimethyl-3,7-dioxo-2,4-dihydro-1h-naphthalen-2-yl]-2-hydroxypropanoate
(2s)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid
(4s,11s)-4-(2-hydroxypropan-2-yl)-7-methoxy-11-methyl-3,12-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one
(4ar,5s,8as,9s,9ar)-9-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,8ah,9h-naphtho[2,3-b]furan-2,8-dione
2-(deca-4,6,8-triyn-1-yloxy)-6-methyloxane-3,4,5-triol
methyl 2-[(5r,6r,7as)-6-ethenyl-7a-hydroxy-3,6-dimethyl-2-oxo-5,7-dihydro-4h-1-benzofuran-5-yl]prop-2-enoate
(3as,4ar,5r,9ar)-3a,5-dihydroxy-9a-methoxy-4a,5-dimethyl-3-methylidene-2h,4h-naphtho[2,3-b]furan-6-one
8-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-2-ene-4,11-dione
9-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,8ah,9h-naphtho[2,3-b]furan-2,8-dione
methyl 3-methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-ene-8-carboxylate
(1r,7s,9s,10s,12s,14r)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0³,⁷.0¹⁰,¹²]pentadec-3-en-5-one
4-[(1z)-3-(acetyloxy)prop-1-en-1-yl]-2-methoxyphenyl 2-methylpropanoate
1-(4-methoxy-1-benzofuran-5-yl)-3-(4-methylphenyl)prop-2-en-1-one
methyl (1'r,2r,5's,8'r)-3',3'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.0¹,⁵]dodecan]-6'-ene-7'-carboxylate
(4s,5s)-5-[(3r)-3-methoxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
1,4-dimethyl 2-(4-hydroxyphenyl)-3-(2-methylpropyl)but-2-enedioate
(1r)-1-hydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
4a-hydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
1,4-dihydroxy-2-(7'-methyl-3'-methylene-1'-oxo-4',7'-peroxide-octyl)benzene
{"Ingredient_id": "HBIN001430","Ingredient_name": "1,4-dihydroxy-2-(7'-methyl-3'-methylene-1'-oxo-4',7'-peroxide-octyl)benzene","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "CC1(CCC(OO1)C(=C)CC(=O)C2=C(C=CC(=C2)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6040","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,7-double-(4-Hydroxyphenyl)-1,4,6-Cycloheptatriene-3-ketone
{"Ingredient_id": "HBIN002043","Ingredient_name": "1,7-double-(4-Hydroxyphenyl)-1,4,6-Cycloheptatriene-3-ketone","Alias": "NA","Ingredient_formula": "C19H16O3","Ingredient_Smile": "C1=CC(=CC=C1C=CC=CC(=O)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41353","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-coumaroylglycerol; (s,e)-form,4'-me ether,2,3-o-isopropylidene
{"Ingredient_id": "HBIN002874","Ingredient_name": "1-o-coumaroylglycerol; (s,e)-form,4'-me ether,2,3-o-isopropylidene","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "NA","Ingredient_weight": "292.33","OB_score": "NA","CAS_id": "220852-55-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9134","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3r,4s)-form,4-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN007349","Ingredient_name": "3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3r,4s)-form,4-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C12H20O8","Ingredient_Smile": "NA","Ingredient_weight": "292.28","OB_score": "NA","CAS_id": "81793-76-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8299","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3s,4s)-form,4-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN007350","Ingredient_name": "3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3s,4s)-form,4-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C12H20O8","Ingredient_Smile": "NA","Ingredient_weight": "292.28","OB_score": "NA","CAS_id": "94323-77-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8298","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxytanapartholide
{"Ingredient_id": "HBIN008858","Ingredient_name": "3-methoxytanapartholide","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "CC1=C(C(=O)CC1OC)C2C(C(=C)C(=O)O2)CCC(=O)C","Ingredient_weight": "292.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14090","TCMSP_id": "NA","TCM_ID_id": "11786;11787;17223;17224","PubChem_id": "14527156","DrugBank_id": "NA"}
(3r,5r)-3-(β-d-glucopyranosyloxy)-5-hexanolide
{"Ingredient_id": "HBIN009549","Ingredient_name": "(3r,5r)-3-(\u03b2-d-glucopyranosyloxy)-5-hexanolide","Alias": "NA","Ingredient_formula": "C12H20O8","Ingredient_Smile": "CC1CC(CC(=O)O1)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8688","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-methoxy-3'-hydroxy-3'3methylbutyl)coumarin
{"Ingredient_id": "HBIN013329","Ingredient_name": "7-methoxy-8-(2'-methoxy-3'-hydroxy-3'3methylbutyl)coumarin","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31560","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-methoxy-3'-hydroxy-3’-methyl-butyl)coumarin
{"Ingredient_id": "HBIN013330","Ingredient_name": "7-methoxy-8-(2'-methoxy-3'-hydroxy-3\u2019-methyl-butyl)coumarin","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13989","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
