Exact Mass: 356.119457
Exact Mass Matches: 356.119457
Found 500 metabolites which its exact mass value is equals to given mass value 356.119457,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
coniferylferulate
Coniferyl ferulate is a natural product found in Ligusticum striatum, Coreopsis venusta, and other organisms with data available. See also: Angelica sinensis root oil (part of). Coniferyl ferulate, a strong inhibitor of glutathione S-transferase (GST), reverses multidrug resistance and downregulates P-glycoprotein. Coniferyl ferulate shows strong inhibition of human placental GST with an IC50 of 0.3 μM. Coniferyl ferulate, a strong inhibitor of glutathione S-transferase (GST), reverses multidrug resistance and downregulates P-glycoprotein. Coniferyl ferulate shows strong inhibition of human placental GST with an IC50 of 0.3 μM.
Kievitone
Kievitone is a hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2 and 4 and a prenyl group at position 8. It has a role as a phytoalexin, an antineoplastic agent and a metabolite. It is a conjugate acid of a kievitone-7-olate. Kievitone is a natural product found in Vigna subterranea, Vigna radiata, and other organisms with data available. Isolated from Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus aureus (mung bean), Phaseolus calcaratus (rice bean), Phaseolus lunatus (butter bean), Phaseolus vulgaris (kidney bean) and Vigna unguiculata (all Leguminosae, Papilionoideae). Kievitone is found in many foods, some of which are yellow wax bean, green bean, scarlet bean, and cowpea. Kievitone is found in adzuki bean. Kievitone is isolated from Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus aureus (mung bean), Phaseolus calcaratus (rice bean), Phaseolus lunatus (butter bean), Phaseolus vulgaris (kidney bean) and Vigna unguiculata (all Leguminosae, Papilionoideae). A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2 and 4 and a prenyl group at position 8.
LeachianoneG
Leachianone G is a tetrahydroxyflavanone having the hydroxy groups at the 2-, 4-, 5- and 7-positions and a prenyl group at 8-position. It is a tetrahydroxyflavanone, 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 leachianone G(1-). Leachianone G is a natural product found in Morus alba, Sophora flavescens, and Lespedeza cyrtobotrya with data available.
Pluviatolide
(-)-pluviatolide is a butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer). It has a role as a plant metabolite. It is a member of phenols, a member of benzodioxoles, an aromatic ether, a lignan and a butan-4-olide. Pluviatolide is a natural product found in Torreya jackii, Syringa pinnatifolia, and other organisms with data available. A butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer).
Pioglitazone
Pioglitazone is used for the treatment of diabetes mellitus type 2. Pioglitazone selectively stimulates nuclear receptor peroxisone proliferator-activated receptor gamma (PPAR-gamma). It modulates the transcription of the insulin-sensitive genes involved in the control of glucose and lipid metabolism in the lipidic, muscular tissues and in the liver. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D007004 - Hypoglycemic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pioglitazone (U 72107) is an orally active and selective PPARγ (peroxisome proliferator-activated receptor) agonist with high affinity binding to the PPARγ ligand-binding domain with EC50 of 0.93 and 0.99 μM for human and mouse PPARγ, respectively. Pioglitazone can be used in diabetes research[2][3][4].
Cubebin
Cubebin is found in herbs and spices. Cubebin is isolated from unripe fruit of Piper cubeba (cubeb pepper) About 15\\% of a volatile oil is obtained by distilling cubebs with water. Cubebene, the liquid portion, has the formula C15H24. It is a pale green or blue-yellow viscous liquid with a warm woody, slightly camphoraceous odor. After rectification with water, or on keeping, this deposits rhombic crystals of camphor of cubebs. Cubeb (Piper cubeba), or tailed pepper, is a plant in genus Piper, cultivated for its fruit and essential oil. It is mostly grown in Java and Sumatra, hence sometimes called Java pepper. The fruits are gathered before they are ripe, and carefully dried. Commercial cubebs consist of the dried berries, similar in appearance to black pepper, but with stalks attached the "tails" in "tailed pepper". The dried pericarp is wrinkled, its color ranges from grayish-brown to black. The seed is hard, white and oily. The odor of cubebs is described as agreeable and aromatic. The taste, pungent, acrid, slightly bitter and persistent. It has been described as tasting like allspice, or like a cross between allspice and black pepper. Cubebin (C10H10O3) is a crystalline substance existing in cubebs, discovered by Eugene Soubeiran and Capitaine in 1839. It may be prepared from cubebene, or from the pulp left after the distillation of the oil. The drug, along with gum, fatty oils, and malates of magnesium and calcium, contains also about 1\\% of cubebic acid, and about 6\\% of a resin. The dose of the fruit is 30 to 60 grains, and the British Pharmacopoeia contains a tincture with a dose of 4 to 1 dram. In Europe, cubeb was one of the valuable spices during the Middle Ages. It was ground as a seasoning for meat or used in sauces. Cubebin is a medieval recipe includes cubeb in making sauce sarcenes, which consists of almond milk and several spices. As an aromatic confectionery, cubeb was often candied and eaten whole. In traditional Chinese medicine cubeb is used for its alleged warming property. In Tibetan medicine, cubeb (ka ko la in Tibetan) is one of bzang po drug, six fine herbs beneficial to specific organs in the body, with cubeb assigned to the spleen Isolated from unripe fruit of Piper cubeba (cubeb pepper)
norsolorinic acid anthrone
A polyketide that is anthrone bearing four hydroxy substituents at positions 1, 3, 6 and 8 as well as a hexanoyl substituent at position 2.
Xanthoxylol
Xanthoxylol is a lignan. Xanthoxylol is a natural product found in Zanthoxylum bungeanum, Zanthoxylum piperitum, and other organisms with data available. (-)-Piperitol is found in herbs and spices. (-)-Piperitol is obtained from Zanthoxylum piperitum (Japanese pepper tree
Licoagrodione
Licoagrodione is found in herbs and spices. Licoagrodione is a constituent of hairy root cultures of Glycyrrhiza glabra (licorice). Constituent of hairy root cultures of Glycyrrhiza glabra (licorice). Licoagrodione is found in tea and herbs and spices.
5-Deoxykievitol
5-Deoxykievitol is found in lima bean. 5-Deoxykievitol is isolated from Phaseolus lunatus (butter bean). Isolated from Phaseolus lunatus (butter bean). 5-Deoxykievitol is found in pulses and lima bean.
Licofuranone
Licofuranone is found in herbs and spices. Licofuranone is a constituent of licorice (Glycyrrhiza sp.) Constituent of licorice (Glycyrrhiza species). Licofuranone is found in tea and herbs and spices.
Kinobeon A
Pigment production by cultures of Carthamus tinctorius (safflower). Kinobeon A is found in fats and oils and herbs and spices. Kinobeon A is found in fats and oils. Kinobeon A is a pigment produced by cultures of Carthamus tinctorius (safflower).
1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone
1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone is found in fruits. 1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone is found in fruits.
5-[[4-[2-(5-Ethylpyridin-2-yl)ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
Apricoxib
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Coniferyl ferulate
sauchinone
Conidendrin
Conidendrin, also known as alpha-conidendrin, is a member of the class of compounds known as lignan lactones. Lignan lactones are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others. Conidendrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Conidendrin can be found in sesame, which makes conidendrin a potential biomarker for the consumption of this food product.
Sauchinone
Sauchinone is a natural product found in Saururus chinensis with data available. Sauchinone is a diastereomeric lignan isolated from Saururus chinensis (Saururaceae). Sauchinone inhibits LPS-inducible iNOS, TNF-α and COX-2 expression through suppression of I-κBα phosphorylation and p65 nuclear translocation. Sauchinone has anti-inflammatory and antioxidant activity[1]. Sauchinone is a diastereomeric lignan isolated from Saururus chinensis (Saururaceae). Sauchinone inhibits LPS-inducible iNOS, TNF-α and COX-2 expression through suppression of I-κBα phosphorylation and p65 nuclear translocation. Sauchinone has anti-inflammatory and antioxidant activity[1].
Conidendrin
6-Prenyleriodictyol
2,4-Dihydroxy-2-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
3,5,4-Trihydroxy-4,5-dihydro-6,6-dimethylpyrano[2,3:7,8]flavanone
(-)-Haplomyrfolin
(-)-Haplomyrfolin is a natural product found in Haplophyllum myrtifolium, Illicium, and other organisms with data available.
Brosimacutin F
5-O-methylcelebixanthone
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3 and 8, methoxy groups at position 2 and 4 and a prenyl group at position 1. A methyl ether derivative of celebixanthone, it is isolated from the roots of Cratoxylum cochinchinense and exhibits antimalarial activities.
1,5-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4,6-heptadien-3-one
1,5-Dihydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-4,6-heptadien-3-one
(2S)-5,7,3,4-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone
Monotesone A
A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 3 and a prenyloxy group at position 4. Isolated from Monotes engleri, it exhibits antifungal activity.
Brosimacutin G
Sigmoidin B
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3 and 4 and a prenyl group at position 5. Isolated from Erythrina sigmoidea, it exhibits anti-inflammatory and antioxidant activities.
5-Deoxykievitol
Kievitone
Shuterin
8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
(E)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
5,7,8,4-tetrahydroxy-3-(3-methylbut-2-enyl)flavan-4-one|flowerone
5,7-dihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]chroman-4-one
(3R)-3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-7-hydroxy-5-methoxy-6,8-dimethyl-4H-chromen--4-one|5,O-8-dimethylophiopogonanone A
(6,7-Dimethoxy-1H-isochromen-3-yl)-(2,4-dimethoxy-phenyl)-keton|(6,7-dimethoxy-1H-isochromen-3-yl)-(2,4-dimethoxy-phenyl)-ketone|(6,7-dimethoxy-1H-isochromen-3-yl)-(2,4-dimethoxy-phenyl)-methanone|2,4,4,5-tetra-O-methylcarnein|Tetra-Me ether-Peltochalcone
(2RS,3SR,4RS)-4-Me ether,di-Ac-3,4,4-Trihydroxyflavan
2, 3:4, 5-Di-O-benzylidene-beta-D-Pyranose-Fructose
(2S,3S,4R)-4-hydroxy-2,3-dimethyl-5,6-methylenedioxy-4-piperonyl-1-tetralone
2(S)-5,7-dihydroxy-[2,2-(3-hydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
4,8-Dihydroxy-2,3-dimethoxy-1-(3-methylbut-2-enyl)-9H-xanthen-9-one
(9S*,10S*)-3-[7-(3,10-Dihydroxy-9-hydroxymethyl-2,5-dimethoxy)-9,10-dihydrophenanthrenyl]propenal
2-(3-Methyl-4-hydroxyphenyl)-3,7-dimethoxy-5-hydroxy-6,8-dimethyl-4H-1-benzopyran-4-one
(+/-)-(2E)-1-[2,3-dihydro-4,6-dihydroxy-2-(1-hydroxy-1-methylethyl)-7-benzofuranyl]-3-(4-hydroxyphenyl)-2-propen-1-one|desmethylxanthohumol J|DMX-J
3-Methyl-4-[2-[(1,3-benzodioxol-5-yl)carbonyl]-4-hydroxy-5-methoxyphenyl]butan-2-one
12,16-epoxy-6,11,14,17-tetrahydroxy-17(15-16)abeo-3alpha,18-cyclo-5,8,11,13,15-abietapentaen-7-one
1-(2,5-Dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-(3,4-dihydroxyphenyl)-1-propanone
(ent-5alpha,6beta,8alpha,12betaH)-15,16-Epoxy-8-hydroxy-1,3,13(16),14-clerodatetraene-17,12:18,6-diolide|15,16-epoxy-8-hydroxy-1,3,13(16),14-clerodateraene-17,12:18,6-diolide
trans-beta-(4-acetyl-2-methoxyphenoxy)-4-acetoxy-3-methoxystyrene
4-benzo[1,3]dioxol-5-yl-2-benzo[1,3]dioxol-5-ylmethyl-3-hydroxymethyl-butanal|4-Benzo[1,3]dioxol-5-yl-3-hydroxymethyl-2-piperonyl-butyraldehyd|4-benzo[1,3]dioxol-5-yl-3-hydroxymethyl-2-piperonyl-butyraldehyde|Lg-threo-4-Hydroxy-2,3-dipiperonyl-butyraldehyd|Lg-threo-4-hydroxy-2,3-dipiperonyl-butyraldehyde
dihydrolicoisoflavone A
A member of the class of 7-hydroxyisoflavones that is the 2,3-dihydro derivative of licoisoflavone A. It has been isolated from Glycyrrhiza uralensis.
1,3-dihydroxy-5,6-dimethoxy-7-(3-methylbut-2-enyl)xanthone
Balanophonin
(+)-Balanophonin is a natural product found in Balanophora japonica, Catunaregam spinosa, and other organisms with data available. Balanophonin is a natural product found in Lonicera insularis, Carya cathayensis, and other organisms with data available.
3-Hydroxy-2-(2-methoxyphenyl)-5,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one
(16R)-12,16-epoxy-11,14,17-trihydroxy-17(15?16),18(4?3)-diabeo-abieta-3,5,8,11,13-pentaene-2,7-dione
2-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-6,7-dimethoxychromone
(3R)-3,4-dihydro-7-hydroxy-5-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-2H-1-benzopyran-8-carboxaldehyde|8-formyl-7-hydroxy-5,4?-dimethoxy-6-methylhomoisoflavanone
5,4-dihydroxy-5-hydroxyisopropyldihydrofurano[2,3:7,6]isoflavone|erythrinin C
2-[2-(3-Methoxy-4-hydroxyphenyl)ethyl]-6,7-dimethoxychromone
1-(4-hydroxy-3,5-dimethoxy-phenyl)-1,8-dimethoxynaphthalen-2(1h)-one
2-Methoxy-3-(6-methoxy-2H-1-benzopyran-2-yl)-6-hydroxy-alpha-(2-hydroxyethyl)benzaldehyde
34-Deoxypsorospermin-34-Dihydro, 3-hydroxy,5-Me ether|O5-methyl-3,4-deoxypsorospermin-3-ol
(2S)-8-(3-methyl-4-hydroxy-but-2-enyl)-7-3,4-trihydroxyflavanone
5,6-Didehydro-Pygmaeocin A|5,6-Didehydropygmaeocin A
1,8-dihydroxy-3-(2-methoxy-3-methylbut-3-enyloxy)-6-methylxanthone
(+/-)-(2E)-1-(3,4-dihydro-3,5,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one|desmethylxanthohumol B|DMX-B
2,5-Dihydroxy-1,6-dimethoxy-4-(1,1-dimethyl-2-propenyl)-9H-xanthene-9-one
[4-[2-(4-acetyloxy-3-methoxyphenyl)ethenyl]-2-methoxyphenyl] acetate
2,3,4,6-Tetra-Me ether,Ac-2,3,4,6,7-Pentahydroxyphenanthrene
Cubebin
(-)-cubebin is a lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities. It has a role as an antimicrobial agent, a trypanocidal drug, an anti-inflammatory agent, an analgesic, a histamine antagonist and a plant metabolite. It is a lignan, a member of benzodioxoles, a secondary alcohol, a cyclic acetal and a lactol. Cubebin is a natural product found in Piper nigrum, Aristolochia elegans, and other organisms with data available.
MEGxp0_001833
7-Prenyloxyaromadendrin is a natural product found in Pterocaulon virgatum and Moquiniastrum paniculatum with data available.
Neophellamuretin
Neophellamuretin is a natural product found in Marshallia obovata, Phellodendron chinense var. glabriusculum, and other organisms with data available.
Pioglitazone
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D007004 - Hypoglycemic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3418; ORIGINAL_PRECURSOR_SCAN_NO 3417 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3413; ORIGINAL_PRECURSOR_SCAN_NO 3410 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3422; ORIGINAL_PRECURSOR_SCAN_NO 3421 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3410; ORIGINAL_PRECURSOR_SCAN_NO 3408 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3260; ORIGINAL_PRECURSOR_SCAN_NO 3258 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3419; ORIGINAL_PRECURSOR_SCAN_NO 3417 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7098; ORIGINAL_PRECURSOR_SCAN_NO 7097 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7118; ORIGINAL_PRECURSOR_SCAN_NO 7116 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7127; ORIGINAL_PRECURSOR_SCAN_NO 7125 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7146; ORIGINAL_PRECURSOR_SCAN_NO 7145 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7154; ORIGINAL_PRECURSOR_SCAN_NO 7153 CONFIDENCE standard compound; INTERNAL_ID 289; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7069; ORIGINAL_PRECURSOR_SCAN_NO 7068 CONFIDENCE standard compound; INTERNAL_ID 2358 CONFIDENCE standard compound; INTERNAL_ID 2203 CONFIDENCE standard compound; INTERNAL_ID 8526 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3286 Pioglitazone (U 72107) is an orally active and selective PPARγ (peroxisome proliferator-activated receptor) agonist with high affinity binding to the PPARγ ligand-binding domain with EC50 of 0.93 and 0.99 μM for human and mouse PPARγ, respectively. Pioglitazone can be used in diabetes research[2][3][4].
3-hydroxy-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
(2S,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
4,6,7-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
(Z)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
C20H20O6_Dimethyl 2,4-bis(4-hydroxyphenyl)-1,3-cyclobutanedicarboxylate
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
(2S,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based on: CCMSLIB00000846531]
(Z)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione [IIN-based on: CCMSLIB00000848412]
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based: Match]
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based: Match]
(Z)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione [IIN-based: Match]
4,6,7-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one [IIN-based on: CCMSLIB00000847488]
4,6,7-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one [IIN-based: Match]
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based on: CCMSLIB00000848811]
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate_major
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate_minor
Licoagrodione
Licofuranone
Kinobeon A
1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone
(4-fluorophenyl)-[1-(4-nitrobenzoyl)piperidin-4-yl]methanone
C19H17FN2O4 (356.11722940000004)
Benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate
C19H17FN2O4 (356.11722940000004)
8,9,10,11,12,13,14,15-Octahydrodinaphtho[2,1-d:1,2-f][1,3,2]dio xaphosphepin-4-ol 4-oxide
C20H21O4P (356.11773960000005)
Deoxyherqueinone
An organic heterotetracyclic compound that is 8,9-dihydro-4H-phenaleno[1,2-b]furan substituted by methyl groups at positions 1,8,8 and 9R, hydroxy groups at positions 3,4 and 7, methoxy group at position 5 and oxo group at position 6. It is isolated from the soil fungus, Penicillium herquei.
5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-imidazole-2-thione
N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
3-(2-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4(3H)-one
4,6,7-Trihydroxy-5-methoxy-1,8,8,9-tetramethyl-8,9-dihydro-3H-phenaleno[1,2-b]furan-3-one
Apricoxib
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
63644-62-2
Coniferyl ferulate, a strong inhibitor of glutathione S-transferase (GST), reverses multidrug resistance and downregulates P-glycoprotein. Coniferyl ferulate shows strong inhibition of human placental GST with an IC50 of 0.3 μM. Coniferyl ferulate, a strong inhibitor of glutathione S-transferase (GST), reverses multidrug resistance and downregulates P-glycoprotein. Coniferyl ferulate shows strong inhibition of human placental GST with an IC50 of 0.3 μM.
Isowigtheone hydrate
A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a 3-hydroxy-3-methylbutyl moiety at position 3. Isolated from the root barks of Brosimum utile, it exhibits cytotoxicity against cell lines like MCF7 (human breast carcinoma), PC3 (human prostate carcinoma), HT29 (human colon cancer) and human dermis fibroblasts.
4-(2-oxo-1-benzopyran-3-yl)-N-(3-pyridinylmethyl)benzamide
4-Methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester
2-[2-(3,4-Dihydroxy-phenyl)-vinyl]-3-phenyl-3H-quinazolin-4-one
5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-one
(1R,3S,5R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-diene-7,13-dione
3-Hydroxy-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
LeachianoneG
Leachianone G is a tetrahydroxyflavanone having the hydroxy groups at the 2-, 4-, 5- and 7-positions and a prenyl group at 8-position. It is a tetrahydroxyflavanone, 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 leachianone G(1-). Leachianone G is a natural product found in Morus alba, Sophora flavescens, and Lespedeza cyrtobotrya with data available. A tetrahydroxyflavanone having the hydroxy groups at the 2-, 4-, 5- and 7-positions and a prenyl group at 8-position.
Glyasperin F
A member of the class of 7-hydroxyisoflavones that consists of 2,3,3,4-tetrahydro-2H,4H-3,8-bichromen-4-one substituted by hydroxy groups at positions 5, 5 and 7 and methyl groups at positions 2 and 2. It has been isolated from Glycyrrhiza uralensis.
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol
A furofuran that is tetrahydro-1H,3H-furo[3,4-c]furan which is substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl and 1,3-benzodioxol-5-yl groups, respectively (the 1S,3aR,4S,6aR stereoisomer). The biosynthetic precursor of (+)-sesamin.
(-)-Cubebin
A lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities.
(2r,5s,7r)-9,12,18-trihydroxy-15-(hydroxymethyl)-2,7-dimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadeca-1(11),8,12,14,17-pentaen-10-one
(2e)-3-[(3s)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-3,4-dihydronaphthalene-2-carbaldehyde
(1r,2r,7r,9r,10r,14r)-7-(furan-3-yl)-2-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadeca-3,12-diene-5,15-dione
(4s,5s)-4-hydroxy-5-[(4r,6s)-4-hydroxy-2',4'-dioxaspiro[cyclohexane-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-6-yl]oxolan-2-one
8-(2h-1,3-benzodioxol-5-yl)-5-methoxy-9-methyl-3-(prop-2-en-1-yl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
[(2s,3r,4r)-2-(2h-1,3-benzodioxol-5-yl)-4-(2h-1,3-benzodioxol-5-ylmethyl)oxolan-3-yl]methanol
3-(4-hydroxyphenyl)-1-(3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-8-yl)prop-2-en-1-one
(3r,4r)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methyl]oxolan-2-one
3-(4-hydroxyphenyl)-1-(3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)prop-2-en-1-one
(1s,7r,9r,10s,14r)-7-(furan-3-yl)-10-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadeca-3,12-diene-5,15-dione
7-(furan-3-yl)-3-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadeca-3,13-diene-5,15-dione
8-[(2s)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-3,4-dihydronaphthalene-2-carbaldehyde
4,8-dihydroxy-2,3-dimethoxy-1-(3-methylbut-2-en-1-yl)xanthen-9-one
(2r)-5-hydroxy-9,10-dimethoxy-1,1,2-trimethyl-2h-furo[2,3-c]xanthen-6-one
(3s)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
1,5-dihydroxy-3,6-dimethoxy-4-(3-methylbut-1-en-2-yl)xanthen-9-one
8-methoxy-7-{[3-methyl-4-(4-methyl-5-oxo-2h-furan-2-yl)but-2-en-1-yl]oxy}chromen-2-one
(2e)-3-[(9r,10r)-6,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethoxy-9,10-dihydrophenanthren-2-yl]prop-2-enal
(6r)-7-(4-hydroxy-3-methoxybenzoyl)-6-(hydroxymethyl)-3-methoxy-5,6-dihydronaphthalen-2-ol
(2e)-1-[(2s)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
(6s,7ar)-6-(prop-2-en-1-yl)-7a-{[6-(prop-2-en-1-yl)-2h-1,3-benzodioxol-5-yl]oxy}-6,7-dihydro-2h-1,3-benzodioxol-5-one
5-[(1r,3ar,4s,6ar)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol
8-hydroxy-12-(4-hydroxyphenyl)-4-(2-hydroxypropan-2-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-10-one
(1s,4s,7s,9r,10r,14r)-7-(furan-3-yl)-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-ene-5,11,15-trione
4-(furan-3-yl)-7-hydroxy-2,16-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-12,14-diene-6,11-dione
(2r,3r)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-1-benzopyran-4-one
4-hydroxy-2-[(1z)-3-hydroxy-3-methylbut-1-en-1-yl]-1,7-dimethoxyxanthen-9-one
6-hydroxy-4,7,12,16,16-pentamethyl-2,9,15,17-tetraoxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(19),3(8),4,6,11,13-hexaen-10-one
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methyl]oxolan-2-one
4-(2,4-dihydroxyphenyl)-8-hydroxy-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-6-one
(3s,3as,7ar)-3-{[(1s,4s,6s)-4-(furan-3-yl)-6-methyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-1-yl]methyl}-3a-methyl-3,7a-dihydro-2-benzofuran-1-one
15,16-epoxy-6-hydroxy-3,7,13(16),14-clerodatetraene-17,12:18,19-diolide; (ent-6α,12αh)-form
{"Ingredient_id": "HBIN001573","Ingredient_name": "15,16-epoxy-6-hydroxy-3,7,13(16),14-clerodatetraene-17,12:18,19-diolide; (ent-6\u03b1,12\u03b1h)-form","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "NA","Ingredient_weight": "356.37","OB_score": "NA","CAS_id": "96888-54-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9303","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-2',4'-dihydroxy-2''-(1-hydroxy-1-methyl-ethyl)dihydrofuro[2,3-h]-flavanone
{"Ingredient_id": "HBIN006583","Ingredient_name": "(2s)-2',4'-dihydroxy-2''-(1-hydroxy-1-methyl-ethyl)dihydrofuro[2,3-h]-flavanone","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "CC(C)(C1CC2=C(O1)C=CC3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5745","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(3,4-dihydroxyphenyl)-2-propen-1-ol; (e)-form,3'-me ether,1-o-(4-hydroxy-3-methoxycinnamoyl)(e-)
{"Ingredient_id": "HBIN007119","Ingredient_name": "3-(3,4-dihydroxyphenyl)-2-propen-1-ol; (e)-form,3'-me ether,1-o-(4-hydroxy-3-methoxycinnamoyl)(e-)","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8493","PubChem_id": "NA","DrugBank_id": "NA"}
3'-o-demethyldenudanolide b; 3',4'-methylene ether
{"Ingredient_id": "HBIN009311","Ingredient_name": "3'-o-demethyldenudanolide b; 3',4'-methylene ether","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8015","PubChem_id": "NA","DrugBank_id": "NA"}
5,4'-dihydroxy-[2''-(1-hydroxy-1-methyl-ethyl)dihydrofurano]-(7,8:5'',4'')flavanone
{"Ingredient_id": "HBIN011039","Ingredient_name": "5,4'-dihydroxy-[2''-(1-hydroxy-1-methyl-ethyl)dihydrofurano]-(7,8:5'',4'')flavanone","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "CC(C)(C1CC2=C3C(=C(C=C2O1)O)C(=O)CC(O3)C4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5918","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,6-didehydropygmaeocin a
{"Ingredient_id": "HBIN011127","Ingredient_name": "5,6-didehydropygmaeocin a","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5467","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7- o -methyl-6-formylisoophiopogonanone b
{"Ingredient_id": "HBIN013397","Ingredient_name": "7- o -methyl-6-formylisoophiopogonanone b","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "NA","Ingredient_weight": "356.37","OB_score": "NA","CAS_id": "88700-32-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7514","PubChem_id": "NA","DrugBank_id": "NA"}
acid anthrone
{"Ingredient_id": "HBIN014547","Ingredient_name": "acid anthrone","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "CCCCCC(=O)C1=C(C=C2CC3=CC(=CC(=C3C(=O)C2=C1O)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23894","TCMSP_id": "NA","TCM_ID_id": "7204","PubChem_id": "NA","DrugBank_id": "NA"}
afzeliixanthone b
{"Ingredient_id": "HBIN014791","Ingredient_name": "afzeliixanthone b","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "CC(C)(C=CC1=CC(=C2C(=C1OC)C(=O)C3=C(O2)C=CC(=C3)OC)O)O","Ingredient_weight": "356.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "680","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102175851","DrugBank_id": "NA"}
α-conidendrin
{"Ingredient_id": "HBIN015460","Ingredient_name": "\u03b1-conidendrin","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "COC1=C(C=C2C(C3COC(=O)C3CC2=C1)C4=CC(=C(C=C4)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3980","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
blepharolide a
{"Ingredient_id": "HBIN018652","Ingredient_name": "blepharolide a","Alias": "NA","Ingredient_formula": "C20H20O6","Ingredient_Smile": "CC12C3CC=CC4C3(CC(C15C2C(OC5=O)C6=COC=C6)O)COC4=O","Ingredient_weight": "356.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2501","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15479019","DrugBank_id": "NA"}
