Exact Mass: 340.0946836
Exact Mass Matches: 340.0946836
Found 500 metabolites which its exact mass value is equals to given mass value 340.0946836,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aesculin
Esculin is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It is functionally related to an esculetin. Esculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P esculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum). Esculin belongs to the family of Glycosyl Compounds. These are carbohydrate derivatives in which a sugar group is bonded through its anmoeric carbonA to another group via a C-, S-,N-,O-, or Se- glycosidic bond. Esculin is a natural product found in Ficus septica, Gardenia jasminoides, and other organisms with data available. A derivative of COUMARIN with molecular formula C15H16O9. See also: Horse Chestnut (part of); Aesculus hippocastanum bark (part of). Aesculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P Aesculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum) Vitamin C2 is generally considered a bioflavanoid, related to vitamin P A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. Acquisition and generation of the data is financially supported in part by CREST/JST. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
8-Prenylnaringenin
Sophoraflavanone B is a trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8. It has a role as a platelet aggregation inhibitor and a plant metabolite. It is a trihydroxyflavanone, a member of 4-hydroxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. It is a conjugate acid of a sophoraflavanone B(1-). 8-Prenylnaringenin is a natural product found in Macaranga conifera, Macaranga denticulata, and other organisms with data available. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8. INTERNAL_ID 2299; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2299
MethylophiopogononeA
Methylophiopogonone A is a homoisoflavonoid that is 4H-1-benzopyran-4-one substituted by hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a (2H-1,3-benzodioxol-5-yl)methyl group at position 3 respectively. It has a role as a plant metabolite. It is a homoisoflavonoid and a member of resorcinols. Methylophiopogonone A is a natural product found in Ophiopogon japonicus, Arabidopsis thaliana, and Liriope muscari with data available. A homoisoflavonoid that is 4H-1-benzopyran-4-one substituted by hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a (2H-1,3-benzodioxol-5-yl)methyl group at position 3 respectively. Methylophiopogonone A, a homoisoflavonoid isolated from the tuberous roots of Ophiopogon japonicas, shows anti-inflammatory activity[1]. Methylophiopogonone A, a homoisoflavonoid isolated from the tuberous roots of Ophiopogon japonicas, shows anti-inflammatory activity[1].
(S)-4',5,7-Trihydroxy-6-prenylflavanone
6-prenylnaringenin is a trihydroxyflavanone having a structure of naringenin prenylated at C-6. It has a role as a T-type calcium channel blocker. It is a trihydroxyflavanone, a member of 4-hydroxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. 6-Prenylnaringenin is a natural product found in Macaranga denticulata, Wyethia angustifolia, and other organisms with data available. (S)-4,5,7-Trihydroxy-6-prenylflavanone is found in alcoholic beverages. (S)-4,5,7-Trihydroxy-6-prenylflavanone is isolated from Humulus lupulus (hops). Isolated from Humulus lupulus (hops). 6-Prenylnaringenin is found in beer and alcoholic beverages. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1]. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1]. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1].
Daphnin
Daphnin is a beta-D-glucoside. It is functionally related to a 7,8-dihydroxycoumarin. Daphnin is a natural product found in Stellera chamaejasme, Daphne gnidium, and other organisms with data available. Daphnin is one of the major coumarin bioactive components with antibacterial activity. Daphnin is isolated from the whole herb of Daphne odora (Thunb.), which is a folk medicine in China for the relief of fever[1][2].
Cichoriin
Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Isolated from chicory (Cichorium intybus). Cichoriin is found in chicory and green vegetables. Cichoriin is found in chicory. Cichoriin is isolated from chicory (Cichorium intybus Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].
Diphacinone
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Sinapoyl malate
Annotation level-2 Acquisition and generation of the data is financially supported in part by CREST/JST.
Desmethylxanthohumol
Desmethylxanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2, 4, and 6 and a 3-methylbut-2-en-1-yl group at position 3. It has a role as a plant metabolite. It is a member of chalcones and a 2-acyl-4-prenylphloroglucinol. It is functionally related to a trans-chalcone. It is a conjugate acid of a desmethylxanthohumol(1-). Desmethylxanthohumol is a natural product found in Helichrysum dregeanum, Humulus lupulus, and other organisms with data available. A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2, 4, and 6 and a 3-methylbut-2-en-1-yl group at position 3. Desmethylxanthohumol is found in alcoholic beverages. Desmethylxanthohumol is a constituent of Humulus lupulus (hops) D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors
5-Deoxykievitone
Isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus mungo (mung bean). 5-Deoxykievitone is found in many foods, some of which are common bean, green bean, mung bean, and gram bean. 5-Deoxykievitone is found in common bean. 5-Deoxykievitone is isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus mungo (mung bean).
Dihydro-O-methylsterigmatocystin
Dihydro-O-methylsterigmatocystin is a mycotoxin from Aspergillus flavu D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3'-Ketolactose
3-Ketolactose is a metabolite in galactose metabolism (KEGG). [HMDB]. 3-Ketolactose is found in many foods, some of which are lentils, fireweed, cardamom, and elliotts blueberry. 3-Ketolactose is a metabolite in galactose metabolism (KEGG).
Vulgaxanthin II
Yellow pigment from beetroot (Beta vulgaris). Vulgaxanthin II is found in red beetroot, common beet, and root vegetables. Vulgaxanthin II is found in common beet. Vulgaxanthin II is a yellow pigment from beetroot (Beta vulgaris
Glepidotin B
A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5 and 7 and a prenyl group at position 8 respectively.
Psorospermin
An organic heterotetracyclic compound that is 1,2-dihydro-6H-furo[2,3-c]xanthene substituted by a hydroxy group at position 10, a methoxy group at position 5 nad a 2-methyloxiran-2-yl group at position 2.
Glyceollidin II
Phytoalexin from Glycine max (soybean). Glyceollidin II is found in soy bean, fats and oils, and pulses. Glyceollidin II is found in fats and oils. Phytoalexin from Glycine max (soybean).
Asparenomycin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Sulindac Sulfide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
Sulindac sulfide
Sulindac sulfide is a metabolite of sulindac. Sulindac is a non-steroidal anti-inflammatory drug of the arylalkanoic acid class that is marketed in the UK & U.S. by Merck as Clinoril. (Wikipedia) C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
(S)-4',5,7-Trihydroxy-3'-prenylflavanone
(S)-4,5,7-Trihydroxy-3-prenylflavanone is found in herbs and spices. (S)-4,5,7-Trihydroxy-3-prenylflavanone is a constituent of Glycyrrhiza glabra (licorice)
Licocoumarone
Licocoumarone is found in herbs and spices. Licocoumarone is isolated from roots of Glycyrrhiza uralensis (Chinese licorice). Isolated from roots of Glycyrrhiza uralensis (Chinese licorice). Licocoumarone is found in herbs and spices.
Glyceollidin I
Phytoalexin from Glycine max (soybean). Glyceollidin I is found in soy bean and pulses. Glyceollidin I is found in pulses. Phytoalexin from Glycine max (soybean).
3,4,5-trihydroxy-6-[(2,3,5-trihydroxy-6-methyloxan-4-yl)oxy]oxane-2-carboxylic acid
Morachalcone A
Morachalcone A is found in breadfruit. Morachalcone A is a constituent of Morus alba (white mulberry). Constituent of Morus alba (white mulberry). Morachalcone A is found in breadfruit and fruits.
Dolichin B
Dolichin A is found in cowpea. Dolichin A is isolated from bacteria-inoculated leaves of Dolichos biflorus (papadi Isolated from bacteria-inoculated leaves of Dolichos biflorus (papadi). Dolichin A is found in fruits and cowpea.
6-{2-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Selinone
Isolated from roots of Angelica archangelica (angelica). 4-Prenylnaringenin is found in fats and oils, herbs and spices, and green vegetables. Selinone is found in fats and oils. Selinone is isolated from roots of Angelica archangelica (angelica).
Oenanthoside A
Oenanthoside A is found in herbs and spices. Oenanthoside A is a constituent of Oenanthe javanica (water dropwort) Constituent of Oenanthe javanica (water dropwort). Oenanthoside A is found in herbs and spices.
4-O-beta-D-Glucopyranuronosyl-L-fucose
4-O-beta-D-Glucopyranuronosyl-L-fucose is isolated from the partial acid hydrolysate of tragacanthic acid, the major polysaccharide component of tragacanth gum. Isolated from the partial acid hydrolysate of tragacanthic acid, the major polysaccharide component of tragacanth gum
Linocinnamarin
Linocinnamarin is found in coffee and coffee products. Linocinnamarin is a glycoside from seeds of Linum usitatissimum (flax
Grevilline B
Grevilline B is found in mushrooms. Grevilline B is a pigment from Suillus grevillei (larch bolete) Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. Pigment from Suillus grevillei (larch bolete)
2-O-a-D-Galactopyranuronosyl-L-rhamnose
2-O-a-D-Galactopyranuronosyl-L-rhamnose is found in coffee and coffee products. 2-O-a-D-Galactopyranuronosyl-L-rhamnose is isolated from partial acid hydrolysates of Linum usitatissimum (flax), Plantago seed, Hibiscus esculentus (okra). Isolated from partial acid hydrolysates of Linum usitatissimum (flax), Plantago seed, Hibiscus esculentus (okra). 2-O-a-D-Galactopyranuronosyl-L-rhamnose is found in coffee and coffee products, fats and oils, and fruits.
Salvianolic acid D
Salvianolic acid D is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
15-[(3,3-dimethyloxiran-2-yl)methyl]-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol
2-O-(4-O-Methyl-a-D-glucopyranuronosyl)-D-xylose
2-O-(4-O-Methyl-a-D-glucopyranuronosyl)-D-xylose is found in cereals and cereal products. 2-O-(4-O-Methyl-a-D-glucopyranuronosyl)-D-xylose is an important aldobiouronic acid that occurs as a structural unit of polysaccharides. 2-O-(4-O-Methyl-a-D-glucopyranuronosyl)-D-xylose is widely distributed in plant
4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose
4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose is found in citrus. 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose is isolated from the partial hydrolysates of lemon gum. Isolated from the partial hydrolysates of lemon gum. 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose is found in citrus and fruits.
3-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose
3-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose is found in fruits. 3-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose is isolated from the autohydrolysate of golden apple (Spondias cytherea) gum. Isolated from the autohydrolysate of golden apple (Spondias cytherea) gum. 3-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose is found in fruits.
1-Hydroxy-3,5-dimethoxy-2-prenylxanthone
1-Hydroxy-3,5-dimethoxy-2-prenylxanthone is found in fruits. 1-Hydroxy-3,5-dimethoxy-2-prenylxanthone is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 1-Hydroxy-3,5-dimethoxy-2-prenylxanthone is found in fruits.
trans-isoeugenol-O-glucuronide
trans-isoeugenol-O-glucuronide is a conjugate of trans-isoeugenol and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)
Sulforaphane-N-acetylcysteine
Sulforaphane-N-acetylcysteine (SFN-NAC) is a metabolite of sulforophane which is a metabolite of glucoraphanin which is found in cauliflower and broccoli sprouts (PMID: 16166336; PMID: 21372038). It is excreted in urine. Glucoraphanin is a glucosinolate compound that is converted in the gut to sulforaphane, an isothiocyanate, by the action of myrosinase enzymes from the plants (PMID: 21372038). Sulforaphane blocks the initiation stage in carcinogenesis by inhibiting enzymes that convert procarcinogens to carcinogens and by inducing phase 2 enzymes that detoxify carcinogens and facilitate their excretion from the body.
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3-hydroxyphenyl)prop-2-enoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
O-Coumaric acid glucuronide
p-Coumaric acid glucuronide
Sulforaphane-N-acetyl-cysteine
(2S,3S,3Ar)-2-(2H-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one
8-Prenylnaringenin
(s)-4,5,7-trihydroxy-8-prenylflavanone is a member of the class of compounds known as 8-prenylated flavanones. 8-prenylated flavanones are flavanones that features a C5-isoprenoid substituent at the 8-position. Thus, (s)-4,5,7-trihydroxy-8-prenylflavanone is considered to be a flavonoid lipid molecule (s)-4,5,7-trihydroxy-8-prenylflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-4,5,7-trihydroxy-8-prenylflavanone can be found in beer, which makes (s)-4,5,7-trihydroxy-8-prenylflavanone a potential biomarker for the consumption of this food product.
Aflatoxin B1 aldehyde
Ethyl 3-(o-chlorophenyl)-5-methyl-1-phenyl-1h-pyrazole-4-carboxylate
N-(6-Aminohexyl)-5-chloro-1-naphthalenesulfonamide
C16H21ClN2O2S (340.10121960000004)
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
Talviraline
(+)-Dihydrowighteone
(+)-dihydrowighteone is a member of the class of compounds known as isoflavanones. Isoflavanones are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Thus, (+)-dihydrowighteone is considered to be a flavonoid lipid molecule (+)-dihydrowighteone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-dihydrowighteone can be found in adzuki bean, which makes (+)-dihydrowighteone a potential biomarker for the consumption of this food product.
Daphnetin glucoside
Daphnetin glucoside is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Daphnetin glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Daphnetin glucoside can be found in coriander, which makes daphnetin glucoside a potential biomarker for the consumption of this food product.
Glutamic acid-betaxanthin
Thujan-3-ol
Burchellin
A neolignan with formula C20H20O5 that is isolated from Ocotea cymbarum and Piper wallichii. It is active against a variety of parasites including T. cruzi, the vector for Chagas disease.
5,4,-Dihydroxy-4,4-Dimethyl-5-[2,3:7,6]methyldihydrofuranoflavanone
3,4-Dihydro-4,5,10-trimethyl-4-vinylspiro[3,6-dioxabicyclo[3.1.0]hexane-2,2-[2H,5H]pyrano[3,2-c][1]benzopyran]-5-one
3,4-(3-Hydroxy-2,2-dimethyldihydropyrano)-4,2-dihydroxychalcone
5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone
euchrenone-a7
A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 7, 2 and 4 and a prenyl group at position 8.
Ochracenomicin A
An angucycline antibiotic that is 3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 4a, 8 and 12b and a methyl group at position 3. It is isolated from the culture broth of Amycolatopsis sp.MJ950-89F4 and exhibits a broad spectrum of antibacterial potential.
Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Salvifaricin
(1S,2R,10S,12R,14R,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one is a natural product found in Salvia melissodora, Salvia xalapensis, and other organisms with data available.
Heptaleno(2,1:4,5)benzo(1,2-d)(1,3)dioxole-4,6-dione, 7,8-dihydro-3,13-dimethoxy-
Pulcherrimin
3,4,4a,9a-Tetrahydro-6,7-dimethylspiro[benzofuran-3(2H),2-pyrano[2,3-b]benzofuran]-2,4a,diol
1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1-heptene-3,5-dione
(2S)-5,7,4-Trihydroxy-6-(1,1-dimethylallyl)flavanone
Methylophiopogonone A
Methylophiopogonone A, a homoisoflavonoid isolated from the tuberous roots of Ophiopogon japonicas, shows anti-inflammatory activity[1]. Methylophiopogonone A, a homoisoflavonoid isolated from the tuberous roots of Ophiopogon japonicas, shows anti-inflammatory activity[1].
Flavaprenin
Dolichin A
Glyceocarpin
CP-863187
C18H14F2N4O (340.11356179999996)
CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8284; ORIGINAL_PRECURSOR_SCAN_NO 8283 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8325; ORIGINAL_PRECURSOR_SCAN_NO 8323 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8328; ORIGINAL_PRECURSOR_SCAN_NO 8326 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8370; ORIGINAL_PRECURSOR_SCAN_NO 8368 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8368; ORIGINAL_PRECURSOR_SCAN_NO 8366 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8380; ORIGINAL_PRECURSOR_SCAN_NO 8379
4-(3-glucopyranosyloxy-4-hydroxyphenyl)-3-buten-2-one|4-(3-glucopyranosyloxy-4-hydroxyphenyl)-(E)-3-buten-2-one
Naphtho(2,1-g)(1,3)benzodioxole-5-carboxylic acid, 8,10-dimethoxy-, methyl ester
Benzene-1,2,3,5-tetracarboxylic acid, 4-methoxy, tetramethyl ester
2,2-Dimethyl-5,9-dihydroxy-8-methoxy-2H,6H-pyrano[3,2-b]xanthene-6-one
3,4,10-tri-O-methylmopanin|3,4,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one|Tri-O-methylmopanin
bisdethiodi(methylthio)hyalodendrin
C16H24N2O2S2 (340.12791239999996)
6,7-dimethyl-1-ribitol-1-yl-1,4-dihydroquinoxaline-2,3-dione
2-O-(4-O-methyl-alpha-D-glucopyranosyluronic acid)-D-xylose|O4-methyl-O1-D-xylose-2-yl-alpha-D-glucopyranuronic acid|O4-Methyl-O1-D-xylose-2-yl-alpha-D-glucopyranuronsaeure
1,12,13-triacetoxy-tridec-2t-ene-4,6,8,10-tetrayne|trans-Tridecen-(11)-tetrain-(3.5.7.9)-triol-(1.2.13)-triacetat|Triacetat des trans-Tridecen-(2)-tetrain-(4,6,8,10)-triols-(1,12,13)
5-hydroxy-8-O-beta-D-glucopyranosyl-2H-1-benzopyran-2-one
(3R,6R)-1N-norgliovictin|bisdethiodi(methylthio)-1-demethylhyalodendrin
5,7-dihydroxychromone 7-beta-D-glucoside|5,7-dihydroxychromone 7-O-beta-D-glucopyranoside|5,7-dihydroxychromone-7-O-beta-D-glucopyranoside|5-hydroxychromone-7-O-glucoside
1,8-Dihydroxy-3,6-dimethoxy-2-menthyl-7-vinylanthraquinone|1,8-dihydroxy-3,6-dimethoxy-2-methyl-7-vinylanthraquinone
3-[(4-hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione|cis-1,4-Dimethyl-3,6-bis(methylthio)-3-(4-hydroxyphenylmethyl)-2,5-piperazinedione
4alpha-hydroxy-3beta-chloro-8alpha-acetoxyguai-1(10),11(13)-dien-6alpha,12-olide
C17H21ClO5 (340.10774460000005)
7,10-dihydroxy-12-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one|garcinexanthone B
2,4-di-(3,4-methylenedioxyphenyloxy)-furan; premnalatin|Premnalatin
7-Acetoxy-5-methoxy-2-(4-methoxy-phenyl)-chromen-4-on|7-acetoxy-5-methoxy-2-(4-methoxy-phenyl)-chromen-4-one
2-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-D-xylose|4-Me-2-O-alpha-D-Glucopyranuronosyl-D-xylose,,
3,8-dimethoxy-1-methylanthraquinone-2-carboxylic acid methyl ester
3-hydroxy-6-O-desmethylterphenyllin
A para-terphenyl that is 6-O-desmethylterphenyllin substituted by a hydroxy group at position 3. Isolated from Penicillium chermesinum, it exhibits inhibitory activity against alpha-glucosidase.
5,7-dihydroxucoumarin-7-O-beta-D-glucopyranoside|5,7-dihydroxycoumarin 7-O-beta-D-glucopyranoside
1-(ethoxycarbonyl)-5-hydroxyanthraquinone-3-carboxylic acid|4-(ethoxycarbonyl)-9,10-dihydro-8-hydroxy-9,10-dioxoanthracene-2-carboxylic acid|juglanthraquinone A
Esculin
Origin: Plant; Formula(Parent): C15H16O9; Bottle Name:Esculin sesquihydrate; PRIME Parent Name:6,7-Dihydroxycoumarin-6-glucoside; PRIME in-house No.:V0125, Coumarins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.391 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.385 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.384 Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
2,6,7,8-tetramethoxy-5H-phenanthro[4,5-bcd]pyran-5-one|2,6,7,8-tetramethoxyphenanthro(4,5-bcd)pyran-5-one|coeloginanthrone
1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-diene-3,5-dione
methyl 16-bromo-(7E,15E)-hexadeca-7,15-diene-5-triynoate
C17H25BrO2 (340.10378099999997)
2-methoxy-4-(2-carboxyvinyl)phenyl alpha-L-rhamnopyranoside
2-(3-hydroxy-4-methoxyphenyl)-3-methyl-2H-[1,4]-dioxin[2,3]chromen-7(3H)-one|grewialin
Atromentic acid|Atromentsaeure|[3-hydroxy-4-(4-hydroxy-phenyl)-5-oxo-5H-furan-2-ylidene]-(4-hydroxy-phenyl)-acetic acid
(SC2RC7)-gamma-glutamyl-S-benzylcysteine|(SC2RC7)-??-Glutamyl-S-benzylcysteine
C15H20N2O5S (340.10928700000005)
2-Acetonyl-8-[2-(2-furyl)-2-oxoethyl]-7-hydroxy-5-methylchromone
2-beta-D-glucopyranosyloxy-trans-cinnamic acid methyl ester|2-beta-D-Glucopyranosyloxy-trans-zimtsaeure-methylester|Methyl o-coumarate-beta-D-glucoside
O-4-O-Methyl-alpha-D-glucuronopyranosyl-(1->3)-D-xylopyranose
(2S*,2R*,3aR*,7aS*)-2,7a-dihydroxy-6,7,3a,7a-tetrahydrospiro[1,3-benzodioxole-2,1-cyclohex-3-ene]-2,3a-dicarboxylate|(?)-idesolide|idesolide
2-Methyl-2-(4-hydroxy-4-methylpentyl)-7-bromo-2H-1-benzopyran-6-ol
C16H21BrO3 (340.06739760000005)
2,5-Dihydroxy-3-(3,4,5-trihydroxyphenyl)-6-phenyl-1,4-benzoquinone
2,3,10-tri-O-methylpeltogynin|2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one|2,3,8-trimethoxy<1>benzopyrano<3,2-c>benzopyran-7(5H)-one|4,5,7-tri-O-methylpeltogynin|Tri-Me ether-Peltogynin|Tri-O-methylpeltogynin
7-CHLORO-6-[4-(DIETHYLAMINO)PHENYL]QUINOLINE-5,8-DIONE
5,7-Dihydroxycoumarin 7-O-β-D-glucopyranoside
5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one is a natural product found in Morus alba var. multicaulis, Morus alba, and Morus nigra with data available.
6-Aldehydoisoophiopogonone B
5,7-Dihydroxy-3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxochromene-6-carbaldehyde is a natural product found in Ophiopogon japonicus with data available.
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
7-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
alpha-(o-Nitro-p-tolylazo)acetoacetanilide
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 12
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000847487]
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]
N-(6-Aminohexyl)-1-chloro-naphthalene-5-sulfonamide
C16H21ClN2O2S (340.10121960000004)
Dhomst
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
LINOCINNAMARIN
Valstar
Oenanthoside A
Salvianolic acid D
Versicolorin B
An organic heteropentacyclic compound that is 2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8.
Ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate
C13H15F3O5S (340.05922560000005)
1-[2-(4-nitrophenyl)ethyl]-1-azoniabicyclo[2.2.2]octane,bromide
(2S,1S)-2-CYCLOPROPYL-2-(1-PHENYLETHYLAMINO)ACETICACID
tert-Butyl 2-(3-bromophenyl)piperazine-1-carboxylate
Talviraline
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
ethyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
4,4-diamino[1,1-bianthracene]-9,9,10,10-tetraone
C22H16N2O2 (340.12117159999997)
5-((3-ETHYNYLPHENYL)AMINO)PYRIMIDO[4,5-C]QUINOLINE-8-CARBOXYLIC ACID
2-(Trifluoromethyl)-1,3-bis-(dimethylamino)-trimethinium hexafluorophosphate
Nilofabicin
C254 - Anti-Infective Agent > C258 - Antibiotic
4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)benzaldehyde
C22H16N2O2 (340.12117159999997)
2-methyl-5-(4-methylsulfonylphenyl)-4-phenylpyridazin-3-one
C18H16N2O3S (340.08815860000004)
ETHYL 3-(SEC-BUTYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylic acid
3-(2-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-methoxy-4-[(1-methyl-5-nitroindol-3-yl)methyl]benzoic acid
2-(4-(3-Bromopropoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-benzoyl-2,5-diphenyl-4H-pyrazol-3-one
C22H16N2O2 (340.12117159999997)
BENZYL (2-((1,3-DIOXOISOINDOLIN-2-YL)OXY)ETHYL)CARBAMATE
2-[2-(4-phenylmethoxyanilino)-1,3-thiazol-4-yl]acetic acid
C18H16N2O3S (340.08815860000004)
4,5-BIS(PHENYLMETHOXY)-1,2-BENZENEDICARBONITRILE
C22H16N2O2 (340.12117159999997)
ETHYL 2-(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETATE
3-(2-BIPHENYL-4-YL-IMIDAZO[1,2-A]PYRIDIN-3-YL)-ACRYLIC ACID
C22H16N2O2 (340.12117159999997)
3-(3-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CARBAMOYL-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H20N2O5S (340.10928700000005)
3-(4-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-BROMO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-CARBAMOYL-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H20N2O5S (340.10928700000005)
4-[(4-Benzyloxyphenyl)sulfonyl]phenol
C19H16O4S (340.07692560000004)
2-(2,4-BIS(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
3-hydroxy-N-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2-carbohydrazide,hydrate
4-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline
2-(3-Bromo-5-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-Naphthalenecarboxaldehyde,2-hydroxy-, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazone
C22H16N2O2 (340.12117159999997)
N-[(2-chlorophenyl)carbamoyl]-3-hydroxynaphthalene-2-carboxamide
C18H13ClN2O3 (340.06146580000006)
2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
3H-Thieno[2,3-d]imidazole-5-carboxylic acid,3-cyclohexyl-6-methyl-2-phenyl-
tert-Butyl 4-(2-bromophenyl)piperazine-1-carboxylate
tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate
5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carbohydrazide
3-(3-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(3aR,4R,5R,6aS)-4-((E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol
C17H21ClO5 (340.10774460000005)
(2S)-1-[4-(2-acetamidoethyl)phenyl]sulfonylproline
C15H20N2O5S (340.10928700000005)
methyl sulfate,prop-2-enamide,trimethyl(2-prop-2-enoyloxyethyl)azanium
2-(3-Bromo-5-propoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-(2-methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride
5-(2-chlorophenyl)-6-[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
4-PHENYL-1-(P-TOLYLSULPHONYL)PIPERIDINE-4-CARBONITRILE
3-(3-(4-(2-methoxyethoxy)phenyl)-1,2,4-oxadiazol-5-yl)benzoicacid
Enarodustat
C78275 - Agent Affecting Blood or Body Fluid Enarodustat is a potent and orally active hypoxia-inducible factor prolyl hydroxylase inhibitor, with an EC50 of 0.22 μM. Enarodustat has the potential for renal anemia treatment.
3-Ketolactose
A keto-disaccharide that is beta-D-galactosyl-(1->4)-beta-D-glucose in which the hydroxy group at position 3 of the galactosyl moiety has been oxidised to the corresponding ketone.
D,L-Sulforaphane N-Acetyl-L-cysteine
4-[(E)-2-Carboxyethenyl]phenyl beta-D-glucopyranosiduronic acid
N-[amino-[2-(1H-indol-3-yl)ethylimino]methyl]-4-chlorobenzamide
N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide
C16H21ClN2O2S (340.10121960000004)
4-(4-ethoxyanilino)-5-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3H-1,3-thiazol-2-one
C18H16N2O3S (340.08815860000004)
N-(5-methyl-3-isoxazolyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamide
3-chloro-6-methoxy-2,4-dimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
C15H17ClN2O3S (340.06483620000006)
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one
1,3-Benzodioxol-5-yl-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methanone
C18H16N2O3S (340.08815860000004)
1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
C18H14F2N4O (340.11356179999996)
(3r)-3-(Fluoromethyl)-N-(3,3,3-Trifluoropropyl)-1,2,3,4-Tetrahydroisoquinoline-7-Sulfonamide
1-(N-Imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane
Escosyl
Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
20853-56-9
Cichoriin
Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].
Methyl N-(4-methoxyphenyl)-[3-(trifluoromethyl)anilino]methanimidothioate
2-Chloro-6-(2-furyl)-9-[(4-methoxyphenyl)methyl]purine
3,4,5-Trihydroxy-6-(2,3,5-trihydroxy-6-methyloxan-4-yl)oxyoxane-2-carboxylic acid
7-hydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Protodeoxyviolaceinate
A monocarboxylic acid anion that is the conjugate base of protodeoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
(4S,8R)-2,13,18,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,13,17,19-heptaen-16-one
6-(2-amino-2-carboxyethyl)-7-hydroxy-8-oxo-2,3,4,7-tetrahydro-1H-quinoline-2,4-dicarboxylic acid
6-(3,4-Dihydroxybenzylidene)-3-hydroxy-4-(4-hydroxyphenyl)(2H)pyran-2,5(6H)-dione
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Galactopyranose, 6-deoxy-4-O-beta-D-glucopyranuronosyl-, L-
4-[4-[(Z)-2-carboxyethenyl]-2,6-dimethoxyphenoxy]-3-hydroxy-4-oxobutanoic acid
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
7-hydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one
7-Amino-5-(4-ethoxy-3-methoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
C18H16N2O3S (340.08815860000004)
N-(4-benzamido-2-chlorophenyl)-2-furancarboxamide
C18H13ClN2O3 (340.06146580000006)
2,5-dimethyl-4-nitro-N-[4-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide
N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4-triazolecarboxamide
3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
C13H16N4O3S2 (340.06637859999995)
2-[[2-(Phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl ester
C18H16N2O3S (340.08815860000004)
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylcarbamic acid tert-butyl ester
4-[[(1-Methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzoic acid methyl ester
C15H20N2O5S (340.10928700000005)
5-[2-(4-Ethoxy-2-hydroxyphenyl)-2-oxoethyl]-2-benzofurancarboxylic acid
1H-indazole-3-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester
2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]benzamide
C19H17FN2O3 (340.12231440000005)
4-(4-Ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole
3,4-dimethyl-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]benzamide
5-Chloro-4-(4-ethylphenoxy)-2-(4-methylphenyl)-3-pyridazinone
methyl 2-[((E)-2-{[(ethoxycarbonyl)amino]carbonyl}-3-oxo-1-butenyl)amino]-3-thiophenecarboxylate
1-(4-Fluorophenyl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone
C19H17FN2OS (340.10455640000004)
5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(3-methylphenyl)acetamide
C18H16N2O3S (340.08815860000004)
N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-(3-methylphenoxy)acetamide
N-[(E)-(1-acetylindol-3-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
2-nitro-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
(3S)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester
(2S,3R,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
(3S)-7-chloro-1-(cyclopropylmethyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-one
1-(1,3-Benzodioxol-5-yl)-3-hydroxy-3-(4-methoxy-1-benzouran-5-yl)propan-1-one
6-(2-Benzyl-3-oxopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-methoxy-4-[(Z)-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylhydrazinylidene)methyl]phenol
3,4,5-Trihydroxy-6-[(2-methyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(3-phenyloxiran-2-yl)ethoxy]oxane-2-carboxylic acid
6-[2-(3-Ormyloxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(1-Acetyloxy-3-phosphonooxypropan-2-yl) octanoate
C13H25O8P (340.12869800000004)
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) heptanoate
C13H25O8P (340.12869800000004)
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) hexanoate
C13H25O8P (340.12869800000004)
(2-Pentanoyloxy-3-phosphonooxypropyl) pentanoate
C13H25O8P (340.12869800000004)
3,4-(Methylenedioxy)benzyl 3,4-(methylenedioxy)-alpha-methylcinnamate
Diphacinone
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
8-O-Methyldihydrosterigmatocystin
A sterigmatocystin that is the 8-O-methyl derivative of dihydrosterigmatocystin. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid
methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
N-Acetyl-S-{[4-(methanesulfinyl)butyl]carbamothioyl}-D-cysteine
3-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose
4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose
2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid
tetrahydroxycurcumin
A beta-diketone that is curcumin in which the two methoxy groups have been replaced by hydroxy groups. It is a metabolite of curcumin.
coniferaldehyde beta-D-glucoside
A beta-D-glucoside that is coniferaldehyde in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue.
1,2-Di-O-acetyl-5-O-benzoyl-3-deoxy-3-fluoro-D-ribofuranose
1,2-Di-O-acetyl-5-O-benzoyl-3-deoxy-3-fluoro-D-ribofuranose is a ribofuranose nucleoside analogue.
BAM 15
BAM 15 is a mitochondrial protonophore uncoupler. BAM 15 is an oxidative phosphorylation (OXPHOS) uncoupler[1].
CP-809101 (hydrochloride)
CP-809101 hydrochloride is a potent and highly selective 5-HT2C receptor agonist, with pEC50s of 9.96, 7.19 and 6.81 M for human 5HT2C, 5HT2B and 5HT2A receptor. CP-809101 hydrochloride inhibits conditioned avoidance responding in rats and antagonizes both PCP (phencyclidine hydrochloride)- and d-amphetamine-induced hyperactivity. CP-809101 hydrochloride also reduces food and nicotine dependence in rats, can be used in studies of antipsychotic and nicotine dependence[1][2].
EA4
EA4, a derivative of quinone, is an inhibitor for both rPLA and cPLA. EA4 can inhibit rPLA2 with a Ki value of 130 μM. EA4 can be used for the research of hemostasis, thrombosis, and erythropoiesis[1].
Syk Inhibitor II
Syk Inhibitor II is a potent, high selective and ATP-competitive Syk inhibitor with an IC50 of 41 nM. Syk Inhibitor II inhibits 5-HT release from RBL-cells with an IC50 of 460 nM. Syk Inhibitor II shows less potent against other kinases and has anti-allergic effect[1].