Exact Mass: 292.11245160000004
Exact Mass Matches: 292.11245160000004
Found 500 metabolites which its exact mass value is equals to given mass value 292.11245160000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Picrotoxinin
Picrotoxinin belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Picrotoxinin is soluble (in water) and a very weakly acidic compound (based on its pKa). D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Picrotoxinin is a picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has a role as a plant metabolite, a GABA antagonist and a serotonergic antagonist. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone and a picrotoxane sesquiterpenoid. Picrotoxinin is a natural product found in Picrodendron baccatum and Anamirta cocculus with data available. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
Edetic Acid
Edetic Acid is only found in individuals that have used or taken this drug. It is a chelating agent (chelating agents) that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. [PubChem]The pharmacologic effects of edetate calcium disodium are due to the formation of chelates with divalent and trivalent metals. A stable chelate will form with any metal that has the ability to displace calcium from the molecule, a feature shared by lead, zinc, cadmium, manganese, iron and mercury. The amounts of manganese and iron metabolized are not significant. Copper is not mobilized and mercury is unavailable for chelation because it is too tightly bound to body ligands or it is stored in inaccessible body compartments. The excretion of calcium by the body is not increased following intravenous administration of edetate calcium disodium, but the excretion of zinc is considerably increased. D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D000074385 - Food Ingredients > D005503 - Food Additives D006401 - Hematologic Agents > D000925 - Anticoagulants
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
(S)-Angelicain
(S)-Angelicain is found in fats and oils. (S)-Angelicain is a constituent of Angelica archangelica (angelica) (S)-Angelicain is an organic heterotricyclic compound and an oxacycle. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1]. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1].
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.
(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).
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
C11H20N2O5S (292.10928700000005)
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).
trans-Grandmarin
cis-Grandmarin is found in citrus. cis-Grandmarin is a constituent of Citrus natsudaidai. Constituent of Citrus hybrids. trans-Grandmarin is found in citrus.
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
C9H16N4O7 (292.10189460000004)
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
Blebbistatin
C18H16N2O2 (292.12117159999997)
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
4-Allyl-1,2-diphenyl-3,5-pyrazolidinedione
C18H16N2O2 (292.12117159999997)
2-({2-[Benzyl(2-cyanoethyl)amino]-2-oxoethyl}sulfanyl)acetic acid
C14H16N2O3S (292.08815860000004)
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
(3R,4S,4aR)-3,4,7-trihydroxy-9-methoxy-1-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one|Neoaltenuene
(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
3-(1-Hydroxy-1-methylethyl)-5-methoxy-2,3-dihydro-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one
(+)-7-(3-methyl-4-carboxybutanoxy)umbelliferone methyl ester
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
5,7-dihydroxy-2-hydroxy-methyl-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-4H-1-benzopyran-4-one
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
5,8-dihydroxy-7-(2-hydroxypropyl)-2-methoxy-6-methylnaphthalene-1,4-dione
threo-(1Z)-(-)-5-(2,3-Dihydroxy-1-methoxy-3-phenylpropylidene)-4-methoxy-2(5H)-furanone
(Z)-6-acetyl-3-(1,2-dihydroxypropylidene)-5-hydroxy-8-methylchroman-2-one
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
1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-propan-1,2,3-triol
5-(3-carboxy-3-methyl-2E-allyloxy)-3-methoxy-4-methylphthalide
3-Benzyl-6-benzylidenepiperazine-2,5-dione
C18H16N2O2 (292.12117159999997)
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
(2S,3aR,9aS)-3a,8,9a-trihydroxy-2,3,3-trimethyl-2,3,3a,9a-tetrahydronaphtho[2,3-b]furan-4,9-dione|chiritalone A
(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
3,4-dihydroxy-6-methoxy-7-(3,3-dimethylallyloxy)-coumarin
(E)-4-[(1,3-dihydro-7-hydroxy-4,6-dimethyl-1-oxo-5-isobenzofuranyl)oxy]-2-methyl-2-butenoic acid|(E)-5-(3-carboxy-2-butenyloxy)-7-hydroxy-4,6-dimethylphthalide
6-Methoxy-7-(2-hydroxy-3,3-dimethylbutoxy)coumarin
(+)-fatouain C|(+)-threo-6-(1,2-dihydroxy-3-methylbut-3-enyl)-8-hydroxy-7-methoxy-[2H]-chromen-2-one
8-(1,2-dihydroxy-1-methylethyl)-6-methoxy-8,9-dihydrofuro[2,3-h]chromen-2-one|hedyotiscone C
3-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)propanoic acid
Dihydrovincarpin|Dihydrovincarpine
C18H16N2O2 (292.12117159999997)
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-(trans-1,4-dihydroxycyclohexyl)-5,7-dihydroxychromone
2-(3-Methylene-7-methyl-1-oxo-4,7-epidioxyoctane-1-yl)-1,4-benzenediol
3,7,10a-trimethoxy-1,4,4a,10a-tetrahydrodibenzo-p-dioxin-1-one
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
(2beta,4alpha,5beta,6alpha,8alpha)-4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradiene-12,8:14,2-diolide
(1E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
2-(trans-1,4-Dihydroxy-cyclohexyl)-5,7-dihydroxy-chromone
2-(1,4-Dihydroxycyclohexyl)-5,7-dihydroxychromen-4-one is a natural product found in Macrothelypteris torresiana with data available.
Climbazol
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2364 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2739
Picrotoxinin
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists relative retention time with respect to 9-anthracene Carboxylic Acid is 0.577 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.570 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.573 Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate
4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-2-methyl-2H-furan-5-one
5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
C15H16O6_(2S,3S,4aS)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one
C15H16O6_6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl
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
methyl (1S,4S,8R,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one
4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-2-methyl-2H-furan-5-one
(3R)-4,4-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
Altenuene
A benzochromenone mycotoxin isolated from the fungus Allernaria tenuis. CONFIDENCE Reference Standard (Level 1)
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
4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-2-methyl-2H-furan-5-one_major
methyl (1S,4S,8R,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹?.0?,¹?]tetradeca-2,5-diene-5-carboxylate
(-)-Blebbistatin
C18H16N2O2 (292.12117159999997)
(+)-Blebbistatin
C18H16N2O2 (292.12117159999997)
(±)-Blebbistatin
C18H16N2O2 (292.12117159999997)
His-his
A dipeptide formed from two L-histidine residues.
Angelicain
Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1]. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1].
Coriandrone A
Coriandrone B
trans-Grandmarin
N-g-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
(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
beta-Alanine, N-(2-aminoethyl)-N-[2-(2-carboxyethoxy)ethyl]-, N-coco acyl derivs., disodium salts
2-(chloromethyl)oxirane,2-[(2-hydroxyphenyl)methyl]phenol
4-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-TRIFLUOROMETHYLPHENYLAMINE
ETHYL 1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLATE
2,2-(1,4-Butanediyl)bis-1,3-benzoxazole
C18H16N2O2 (292.12117159999997)
4-pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
C18H16N2O2 (292.12117159999997)
N-tert-Butoxycarbonyl-S-acetamidomethyl-D-cysteine
C11H20N2O5S (292.10928700000005)
5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
3,3-[1,4-Phenylenebis(oxy)]dianiline
C18H16N2O2 (292.12117159999997)
1,3-DIPHENYLPYRAZOLE-4-PROPIONIC ACID
C18H16N2O2 (292.12117159999997)
2-(chloromethyl)oxirane,N,N-dimethylpropane-1,3-diamine,sulfuric acid
5(4H)-Oxazolone,4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl-
C18H16N2O2 (292.12117159999997)
4-(N-Ethyl-N-2-hydroxyethyl)-2-methylphenylenediamine sulfate
C11H20N2O5S (292.10928700000005)
8-(1-butoxyethenyl)-7-chloro-2-methoxy-1,5-naphthyridine
ethyl 6-(2-cyclopentylethyl)imidazo[2,1-b]thiazole-5-carboxylate
Phosphoric acid,(1-methylethyl)phenyl diphenyl ester
ETHYL 2,4-DIPHENYLIMIDAZOLE-5-CARBOXYLATE
C18H16N2O2 (292.12117159999997)
4-Quinolinecarboxylic acid, 2-((2,4-dimethylphenyl)amino)-
C18H16N2O2 (292.12117159999997)
3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride
3-(CYCLOHEXYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID
C13H17BN2O5 (292.12304620000003)
TRI(2-METHOXYCARBONYLETHYL)PHOSPHINE
C12H21O6P (292.10756960000003)
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
C14H16N2O3S (292.08815860000004)
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
C18H16N2O2 (292.12117159999997)
3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
Ethyl 2-[(4-methoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
C14H16N2O3S (292.08815860000004)
((4-((4-FLUOROPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIMETHYLSILANE
Monastrol
C14H16N2O3S (292.08815860000004)
D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators D004791 - Enzyme Inhibitors
2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-5-(TRIFLUOROMETHYL)ANILINE
1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
C18H16N2O2 (292.12117159999997)
Ethyl 4-hydroxy-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
3-[3-(3-azanylphenoxy)phenoxy]aniline
C18H16N2O2 (292.12117159999997)
Carbamic acid, N-[(6-hydroxybenzo[b]thien-2-yl)iminomethyl]-, 1,1-dimethylethyl ester
C14H16N2O3S (292.08815860000004)
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
ethyl 2-[(1-chloro-3,4-dihydronaphthalen-2-yl)-hydroxymethyl]prop-2-enoate
(5-CHLORO-4-METHOXY-2-METHYLPHENYL)BORONICACID
C18H16N2O2 (292.12117159999997)
Tetraethylphosphonium hexafluorophosphate
C8H20F6P2 (292.09443719999996)
N-benzyl-2-(1H-indol-3-yl)-N-methyl-2-oxo-acetamide
C18H16N2O2 (292.12117159999997)
(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)
Ethyl 1,3-diphenyl-1H-pyrazole-5-carboxylate
C18H16N2O2 (292.12117159999997)
3,4-DI(BENZYLAMINO)CYCLOBUT-3-ENE-1,2-DIONE
C18H16N2O2 (292.12117159999997)
N-(8-ethoxyquinolin-5-yl)benzamide
C18H16N2O2 (292.12117159999997)
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
C18H16N2O2 (292.12117159999997)
a-Methyl-4,5-diphenyl-1H-imidazole-1-acetic acid
C18H16N2O2 (292.12117159999997)
7-Amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
1-Benzyl-3-methoxy-piperidin-4-ylamine dihydrochloride
acetic acid, [2-acetyl-5-[(3-methyl-2-butenyl)oxy]phenoxy]-, methyl ester
sec-Butylidenedi-p-phenylene cyanate
C18H16N2O2 (292.12117159999997)
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
C14H17BO6 (292.11181320000003)
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
C14H21BO2SSi (292.11245160000004)
5,6-Dihydro-5-oxoindolo[1,2-a]quinazoline-7-acetic acid
1-(3,6-diphenyl-1H-1,2,4,5-tetrazin-2-yl)propan-1-one
ethyl 2-cyano-3-(4-phenylanilino)prop-2-enoate
C18H16N2O2 (292.12117159999997)
2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE
C18H16N2O2 (292.12117159999997)
4-[2-(methylaminomethyl)phenoxy]benzenesulfonamide
C14H16N2O3S (292.08815860000004)
Tolbutamide Sodium
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
1-(2-Methoxyphenyl)-3-naphthalen-2-ylurea
C18H16N2O2 (292.12117159999997)
3-(4-methylphenyl)-1H-benzofuro[3,2-d]pyrimidine-2,4-dione
Bifluranol
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
(4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid
(S)-Monastrol
C14H16N2O3S (292.08815860000004)
D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators D004791 - Enzyme Inhibitors
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
C18H16N2O2 (292.12117159999997)
(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
C18H16N2O2 (292.12117159999997)
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
6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2R,3R,4aR)-rel-
7-methyl-N-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrimidin-5-amine
2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose
2-[2-(1,3-Dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
C14H16N2O3S (292.08815860000004)
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
C9H16N4O7 (292.10189460000004)
(5E,8E)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
[3-Carboxy-2-(3-carboxy-2-hydroxybutanoyl)oxypropyl]-trimethylazanium
C12H22NO7+ (292.13962019999997)
[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
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
C14H16N2O3S (292.08815860000004)
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
C18H16N2O2 (292.12117159999997)
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
azanigerone F
An azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and acetoxy substituents at position 7.
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide
C14H16N2O3S (292.08815860000004)
1-[2-(2-Chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene
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
C18H16N2O2 (292.12117159999997)
1-(3,5-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol
5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one;hydrate
3-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
C14H16N2O3S (292.08815860000004)
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-[2-(6-Hydroxy-1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)ethyl]-5-hydroxy-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one
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
Picrotoxinin
Picrotoxinin is a picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has a role as a plant metabolite, a GABA antagonist and a serotonergic antagonist. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone and a picrotoxane sesquiterpenoid. Picrotoxinin is a natural product found in Picrodendron baccatum and Anamirta cocculus with data available. A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
Edetic Acid
D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D000074385 - Food Ingredients > D005503 - Food Additives D006401 - Hematologic Agents > D000925 - Anticoagulants
4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
N-gamma-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
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.
Carnostatine (hydrochloride)
Carnostatine hydrochloride (SAN9812 hydrochloride) is a potent and selective carnosinase 1 (CN1) inhibitor with a Ki of 11 nM for human recombinant CN1. Carnostatine hydrochloride can be used for the treatment of diabetic nephropathy (DN)[1].
(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
C18H16N2O2 (292.12117159999997)
3-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)-2-methylpropanoic acid
(2r,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2h,3h,4h-benzo[c]chromen-6-one
4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one
6-(3-methylbut-2-en-1-yl)phenazine-1-carboxylic acid
C18H16N2O2 (292.12117159999997)
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
methyl (2e)-7-[(e)-benzoyloxy]-6-hydroxy-4-oxohept-2-enoate
(1r,2r,6s,7z,9s,11s)-9,11-dihydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
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
4-hydroxy-6-methoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-3,5,7-trien-13-one
(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
(1r,9r,12s)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-8-one
9-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,8ah,9h-naphtho[2,3-b]furan-2,8-dione
6-hydroxy-2-methyl-3-methylidene-10a-(methylsulfanyl)-5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
C14H16N2O3S (292.08815860000004)