Exact Mass: 356.1095616
Exact Mass Matches: 356.1095616
Found 500 metabolites which its exact mass value is equals to given mass value 356.1095616,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gentiopicrin
Gentiopicrin is a glycoside. Gentiopicroside is a natural product found in Aster auriculatus, Exacum affine, and other organisms with data available. See also: Centaurium erythraea whole (part of). Gentiopicroside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=20831-76-9 (retrieved 2024-07-01) (CAS RN: 20831-76-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Gentiopicroside, a naturally occurring iridoid glycoside, inhibits P450 activity, with an IC50 and a Ki of 61 μM and 22.8 μM for CYP2A6; Gentiopicroside has anti-inflammatoryand antioxidative effects. Gentiopicroside, a naturally occurring iridoid glycoside, inhibits P450 activity, with an IC50 and a Ki of 61 μM and 22.8 μM for CYP2A6; Gentiopicroside has anti-inflammatoryand antioxidative effects.
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.
trans-p-Feruloyl-beta-D-glucopyranoside
Trans-p-feruloyl-beta-d-glucopyranoside, also known as 1-feruloyl-D-glucose, is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. Trans-p-feruloyl-beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-p-feruloyl-beta-d-glucopyranoside can be found in a number of food items such as green bell pepper, pepper (c. annuum), yellow bell pepper, and orange bell pepper, which makes trans-p-feruloyl-beta-d-glucopyranoside a potential biomarker for the consumption of these food products. 1-O-feruloyl-beta-D-glucose is a beta-D-glucoside resulting from the formal condensation of the carboxy group of ferulic acid with the anomeric hydroxy group of beta-D-glucose. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a cinnamate ester, a member of phenols and an aromatic ether. It is functionally related to a ferulic acid. 1-O-feruloyl-beta-D-glucose is a natural product found in Balanophora japonica, Linaria japonica, and other organisms with data available. Lavandoside is an active compound found from Lavandula spica flowers[1].
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)
Methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
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
Ferulic acid 4-glucoside
Ferulic acid 4-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Ferulic acid 4-glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Ferulic acid 4-glucoside can be found in a number of food items such as redcurrant, gooseberry, highbush blueberry, and blackcurrant, which makes ferulic acid 4-glucoside a potential biomarker for the consumption of these food products. (2E)-3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acrylic acid is a glycoside. (E)-4-Hydroxy-3-methoxycinnamic acid 4-O-|A-D-glucopyranoside is a natural product found in Ribes uva-crispa, Aristolochia kaempferi, and other organisms with data available. Lavandoside is an active compound found from Lavandula spica flowers[1].
1-O-Feruloylglucose
1-O-Feruloylglucose is found in green vegetables. 1-O-Feruloylglucose is present in Solanum, Raphanus, etc. species.
4-O-alpha-D-Glucopyranuronosyl-D-galactose
C12H20O12 (356.09547200000003)
4-O-alpha-D-Galactopyranuronosyl-D-galactose is a constituent of Sterculia urens (karaya gum). Constituent of Sterculia urens (karaya gum)
2-O-beta-D-Glucopyranuronosyl-D-mannose
C12H20O12 (356.09547200000003)
Present as a structural unit in plant gums, e.g. damson (Prunus insitia), cherry (Prunus cerasus), Anogeissus lattifolia (gum ghatti). 2-O-beta-D-Glucopyranuronosyl-D-mannose is found in fruits. 2-O-beta-D-Glucopyranuronosyl-D-mannose is found in fruits. Present as a structural unit in plant gums, e.g. damson (Prunus insitia), cherry (Prunus cerasus), Anogeissus lattifolia (gum ghatti).
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.
beta-D-Glucopyranose, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-
Acaciabiuronic acid
C12H20O12 (356.09547200000003)
Acaciabiuronic acid is found in cereals and cereal products. Probably the commonest aldobiouronic acid present as a structural unit in plant gums. It is isolated from partial acid hydrolysates from the following plants; black wattle (Acacia mollissima), Acacia senegal, Acacia pycnantha, Acacia karroo, Acacia cyanophylla, egg plum (Prunus domestica), almond (Prunus amygdalus), peach (Prunus persica), Anogeissus lattifolia (gum ghatti), Vigilia oroboides, Afraegle paniculata, Ferula and Chorisia species Also isolated from hydrolysates of maritime pine (Pinus pinaster) hemicellulose and wheat stra
Veranisatin B
Veranisatin B is found in fruits. Veranisatin B is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Veranisatin B is found in fruits.
3-O-beta-D-Galactopyranuronosyl-D-galactose
C12H20O12 (356.09547200000003)
3-O-beta-D-Galactopyranuronosyl-D-galactose is found in fruits. 3-O-beta-D-Galactopyranuronosyl-D-galactose is isolated from Spondias dulcis (ambarella) gum. Isolated from Spondias dulcis (ambarella) gum. 3-O-beta-D-Galactopyranuronosyl-D-galactose is found in fruits.
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).
Dihydrohydroxy-O-methylsterigmatocystin
Dihydrohydroxy-O-methylsterigmatocystin is a mycotoxin produced by Aspergillus parasiticus. Mycotoxin production by Aspergillus parasiticus.
1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose
1-O-2-Hydroxy-4-methoxycinnamoyl-b-D-glucose is found in fats and oils. 1-O-2-Hydroxy-4-methoxycinnamoyl-b-D-glucose is a constituent of Matricaria chamomilla (German chamomile). Constituent of Matricaria chamomilla (German chamomile). 1-O-2-Hydroxy-4-methoxycinnamoyl-b-D-glucose is found in tea, fats and oils, and herbs and spices.
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
Gentiopicroside
Glucose lactate lactate
C12H20O12 (356.09547200000003)
Laquinimod
C19H17ClN2O3 (356.09276420000003)
C308 - Immunotherapeutic Agent N - Nervous system
sauchinone
Cyclohexyl-[cyclohexyl(sulfo)amino]sulfamic acid
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.
1-O-Feruloyl-beta-D-glucopyranose
1-o-feruloyl-beta-d-glucopyranose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-feruloyl-beta-d-glucopyranose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-feruloyl-beta-d-glucopyranose can be found in loquat, which makes 1-o-feruloyl-beta-d-glucopyranose a potential biomarker for the consumption of this food product.
1-O-Feruloyl-beta-D-glucose
1-o-feruloyl-beta-d-glucose belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. 1-o-feruloyl-beta-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-feruloyl-beta-d-glucose can be found in a number of food items such as chives, yellow bell pepper, white cabbage, and orange bell pepper, which makes 1-o-feruloyl-beta-d-glucose a potential biomarker for the consumption of these food products.
Aldobionic acid
C12H20O12 (356.09547200000003)
Aldobionic acid, also known as beta-D-glca-(1->6)-beta-D-gal or glcab1-6galb, is a member of the class of compounds known as O-glucuronides. O-glucuronides are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. Aldobionic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Aldobionic acid can be found in quince, which makes aldobionic acid a potential biomarker for the consumption of this food product.
Aldobiouronic acid
C12H20O12 (356.09547200000003)
Aldobiouronic acid is also known as aldobiouronate. Aldobiouronic acid is soluble (in water) and a very weakly acidic compound (based on its pKa). Aldobiouronic acid can be found in almond and corn, which makes aldobiouronic acid a potential biomarker for the consumption of these food products.
6-Formylisoophiopogonanone A
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].
Butyrolactone II
Conidendrin
6-Prenyleriodictyol
trans-p-feruloyl-beta-D-glucopyranoside
Lavandoside is an active compound found from Lavandula spica flowers[1].
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.
Komodoquinone B
A member of the class of tetracenequinones that is 7,8,9,10-tetrahydrotetracene-5,12-dione carrying hydroxy groups at positions 1, 6, 8S, 10S and 11 and a methyl group at position 8S. It is the aglycone of komodoquinone A which was isolated from the marine bacterium Streptomyces sp. KS3.
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.
Dihydrohydroxy-O-methylsterigmatocystin
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
(Z)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
(E)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
diMe-STA2DC
C16H20O7S (356.09296900000004)
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
5,7,8,4-tetrahydroxy-3-(3-methylbut-2-enyl)flavan-4-one|flowerone
4-O-(4-carboxymethyl-2,4,6-trihydroxycyclohexyl)vanillic acid
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
2-O-(beta-D-Glucopyranosyluronsaeure)-D-mannose|2-O-(beta-D-Glucuronpyranosyl)-D-mannose|O1-D-mannose-2-yl-beta-D-glucopyranuronic acid|O1-D-Mannose-2-yl-beta-D-glucopyranuronsaeure
C12H20O12 (356.09547200000003)
(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-O-(alpha-D-Galactopyranosyluronsaeure)-D-galactose|4-O-(alpha-D-Galactopyranosyluronsaeure)-D-galaktose|alpha-D-GalpA1 -> 4 D-Galp
C12H20O12 (356.09547200000003)
4,8-Dihydroxy-2,3-dimethoxy-1-(3-methylbut-2-enyl)-9H-xanthen-9-one
1alpha,4alpha-dihydroxy-3beta-chloro-8alpha-acetoxyguai-10(14),11(13)-dien-6alpha,12-olide|8alpha-acetoxy-3beta-chloro-1alpha,4alpha-dihydroxyguai-10(14),11(13)-dien-6alpha,12-olide
C17H21ClO6 (356.10265960000004)
1alpha,4alpha-dihydroxy-3beta-chloro-8alpha-acetoxyguai-9,11(13)-dien-6alpha,12-olide|8alpha-acetoxy-3beta-chloro-1alpha,4alpha-dihydroxyguai-9,11(13)-dien-6alpha,12-olide
C17H21ClO6 (356.10265960000004)
(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
(SC2RC7RS)-gamma-glutamyl-S-benzylcysteine sulfoxide|(SC2RC7SS)-gamma-glutamyl-S-benzylcysteine sulfoxide|gamma-L-glutamyl-petiveriin A|gamma-L-glutamyl-petiveriin B|??-L-Glutamyl-petiveriin A|??-L-Glutamyl-petiveriin B
C15H20N2O6S (356.10420200000004)
(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
O2-alpha-D-glucopyranosyl-D-glucuronic acid|O2-alpha-D-Glucopyranosyl-D-glucuronsaeure
C12H20O12 (356.09547200000003)
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
1-Methyl-1,4-[(1H-indole-2,3-diyl)methylene]-1,4-dihydro-2H-pyrazino[2,1-b]quinazoline-3,6-dione
C21H16N4O2 (356.12731959999996)
1-hydroxy-1-[tetrahydro-4-hydroxy-2-(hydroxymethyl)-5-oxofuran-2-yl]propan-2-yl 2,4-dihydroxy-6-methylbenzoate
[2-(1,2-dihydroxypropyl)tetrahydro-4-hydroxy-5-oxofuran-2-yl]methyl 2,4-dihydroxy-6-methylbenzoate
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
2-C-carboxy-3-deoxy-5-O-alpha-D-galactopyranosyl-D-pentonic acid
C12H20O12 (356.09547200000003)
(2S)-8-(3-methyl-4-hydroxy-but-2-enyl)-7-3,4-trihydroxyflavanone
5,6-Didehydro-Pygmaeocin A|5,6-Didehydropygmaeocin A
6-O-(beta-D-Galaktopyranosyluronsaeure)-L-galactose|6-O-(beta-D-Glucopyranosyluronsaeure)-D-galactose|6-O-(beta-D-Glucuronpyranosyl)-D-galactose|O1-D-galactose-6-yl-beta-D-glucopyranuronic acid|O1-D-Galactose-6-yl-beta-D-glucopyranuronsaeure
C12H20O12 (356.09547200000003)
4-beta-D-glucopyranosyloxy-3-hydroxy-trans-cinnamic acid methyl ester|methyl 4-(beta-D-glucopyranosyl)caffeate|methyl 4-beta-D-glucopyranosylcaffeate|methyl 4-O-(beta-D-glucopyranosyl)-caffeate|methyl 4-O-beta-D-glucopyranosylcaffeate|methyl 4-O-beta-glucopyranosyl-(E)-caffeate|methyl-4-O-(beta-D-glucopyranosyl)caffeate
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
methyl 3-O-beta-D-glucopyranosyl-5-hydroxycinnamate
[4-[2-(4-acetyloxy-3-methoxyphenyl)ethenyl]-2-methoxyphenyl] acetate
2,3,4,6-Tetra-Me ether,Ac-2,3,4,6,7-Pentahydroxyphenanthrene
3-[5-(1,2-dihydroxy-ethyl)-3,4-dihydroxy-2-oxo-tetrahydro-furan-3-yl]-3-(4-hydroxy-phenyl)-propionic acid methyl ester|Reflexin
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.
Z-GMCA
2-O-Glucosyloxy-4-methoxycinnamic acid is a natural product found in Chrysanthemum indicum, Mikania hirsutissima, and Ficus sagittata with data available.
cis-Ferulic acid 4-O-β-D-glucopyranoside
cis-Ferulic acid 4-O-beta-D-glucopyranoside is a natural product found in Equisetum hyemale and Onobrychis viciifolia 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].
gentiopicroside
Annotation level-1 Gentiopicroside, a naturally occurring iridoid glycoside, inhibits P450 activity, with an IC50 and a Ki of 61 μM and 22.8 μM for CYP2A6; Gentiopicroside has anti-inflammatoryand antioxidative effects. Gentiopicroside, a naturally occurring iridoid glycoside, inhibits P450 activity, with an IC50 and a Ki of 61 μM and 22.8 μM for CYP2A6; Gentiopicroside has anti-inflammatoryand antioxidative effects.
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
(E)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
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
2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid
C16H20O7S (356.09296900000004)
(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
C16H20O9_2-Propenoic acid, 3-[2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]-, (2Z)
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
(E)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
(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]
2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid [IIN-based on: CCMSLIB00000848339]
C16H20O7S (356.09296900000004)
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based on: CCMSLIB00000848811]
2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid [IIN-based: Match]
C16H20O7S (356.09296900000004)
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate_major
(Z)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid_major
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate_minor
Met-Val-OH
C15H20N2O6S (356.10420200000004)
Val-Met-OH
C15H20N2O6S (356.10420200000004)
Licoagrodione
Licofuranone
1-O-Feruloylglucose
Veranisatin B
1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose
Kinobeon A
1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone
5-[[4-(ACETYLAMINO)PHENYL]THIO]-1H-BENZIMIDAZOL-2-YL]-CARBAMIC ACID METHYL ESTER
1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate
C14H20N4O3S2 (356.09767700000003)
METHYL 4-(4-(3-(PYRIDIN-2-YL)-1H-PYRAZOL-4-YL)PYRIDIN-2-YL)BENZOATE
C21H16N4O2 (356.12731959999996)
(4-fluorophenyl)-[1-(4-nitrobenzoyl)piperidin-4-yl]methanone
C19H17FN2O4 (356.11722940000004)
2,6-di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate
C15H23F3O4S (356.12690740000005)
(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
Benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate
C19H17FN2O4 (356.11722940000004)
2-benzofuran-1,3-dione,ethane-1,2-diol,hexanedioic acid
1,6-anhydro-3,4-o-isopropylidene-2-tosyl-b-d-galactopyranose
C16H20O7S (356.09296900000004)
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)
Pyrantel tartrate
C15H20N2O6S (356.10420200000004)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Pyrantel tartrate is an orally active anthelmintic and an agonist of the nicotinic acetylcholine receptor (nAChR). Pyrantel tartrate can cause spasmodic muscle paralysis in parasites. Pyrantel tartrate can be used in the study of parasitic infections such as ascariasis, hookworm infections, intestinal worms (pinworm infections), trichinosis and trichinosis[1][2].
(5R)-3-{3-Fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one
C16H13FN6O3 (356.10331199999996)
Benzoic acid, 4-methyl-, 4-oxo-2-phenyl-4H-1-benzopyran-3-yl ester
1-(3-CHLOROPHENYL)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)UREA
Diazenecarbothioicacid, 2-(2-naphthalenyl)-, 2-(2-naphthalenyl)hydrazide
5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione
methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
methyl (4R)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
3-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose
C12H20O12 (356.09547200000003)
N4-Acetylsulfaphenazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
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
2-Methoxy-4-[3-(2-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
4-(5,6-Dimethyl-1-benzimidazolyl)-5-phenylthieno[2,3-d]pyrimidine
3-[(4-Chloroanilino)methylidene]-2-(2-hydroxyethylimino)-9-methyl-4-pyrido[1,2-a]pyrimidinone
1-(4-Morpholinyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
1-(4-Morpholinyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
4,6,7-Trihydroxy-5-methoxy-1,8,8,9-tetramethyl-8,9-dihydro-3H-phenaleno[1,2-b]furan-3-one
4-[3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL]-2-methoxyphenol
C21H16N4O2 (356.12731959999996)
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
Gentiopicrin
Gentiopicroside, a naturally occurring iridoid glycoside, inhibits P450 activity, with an IC50 and a Ki of 61 μM and 22.8 μM for CYP2A6; Gentiopicroside has anti-inflammatoryand antioxidative effects. Gentiopicroside, a naturally occurring iridoid glycoside, inhibits P450 activity, with an IC50 and a Ki of 61 μM and 22.8 μM for CYP2A6; Gentiopicroside has anti-inflammatoryand antioxidative effects.
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.
1-O-Feruloylglucose
1-o-feruloylglucose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-feruloylglucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-feruloylglucose can be found in green vegetables and root vegetables, which makes 1-o-feruloylglucose a potential biomarker for the consumption of these food products. 1-O-Feruloylglucose is found in green vegetables. 1-O-Feruloylglucose is present in Solanum, Raphanus, etc. species.
deacetoxycephalosporin C(1-)
C14H18N3O6S- (356.09162680000003)
Conjugate base of deacetoxycephalosporin C
Deoxyviolaceinate
A monocarboxylic acid anion that is the conjugate base of deoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
(2S)-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1H-indole-2-carboxylate
6-O-(3-Methoxy-4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranose
2-Hydroxypropanoyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate
C12H20O12 (356.09547200000003)
[3,4,5-Trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl] formate
C12H20O12 (356.09547200000003)
2-beta-D-Glucopyranosyloxy-4-methoxy-cis-cinnamic acid
2-(3-nitrophenyl)-N-(phenylmethyl)-4-quinazolinamine
C21H16N4O2 (356.12731959999996)
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.
6-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine
C21H16N4O2 (356.12731959999996)
5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamide
C19H17ClN2O3 (356.09276420000003)
3-Oxo-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]butanoic acid ethyl ester
5-Chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
C19H17ClN2O3 (356.09276420000003)
(2Z)-2-[(2-methoxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
C21H16N4O2 (356.12731959999996)
3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
4-(2-oxo-1-benzopyran-3-yl)-N-(3-pyridinylmethyl)benzamide
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
C21H16N4O2 (356.12731959999996)
5-Chloro-4-(4-ethoxyphenoxy)-2-(4-methylphenyl)-3-pyridazinone
C19H17ClN2O3 (356.09276420000003)
5-Chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
C19H17ClN2O3 (356.09276420000003)
N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
N-[3-(3-chlorophenyl)-5-isoxazolyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
4-Methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-pyridinyl)-4-quinazolinamine
C21H16N4O2 (356.12731959999996)
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
3-O-beta-D-glucosyl-D-glucuronic acid
C12H20O12 (356.09547200000003)
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
(3,4,5,6-Tetrahydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-(1H-benzimidazol-2-yl)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile
3,4,5-Trihydroxy-6-[[3-(4-methoxyphenyl)oxiran-2-yl]methoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-2-carboxylic acid
C12H20O12 (356.09547200000003)
4-acetamido-3-methoxyphenyl beta-D-glucopyranosiduronate
3,4,5-Trihydroxy-6-[3-(3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
2-(4-Methoxyphenyl)imino-4-(4-nitrophenyl)-4-oxobutanoic acid methyl ester
3,4,5-Trihydroxy-6-(5-hydroxy-2-methoxy-4-prop-2-enylphenoxy)oxane-2-carboxylic acid
(E)-3-[4-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
(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
2-Hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid
C16H20O7S (356.09296900000004)
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.
1-Feruloyl-D-glucose
1-O-feruloyl-beta-D-glucose is a beta-D-glucoside resulting from the formal condensation of the carboxy group of ferulic acid with the anomeric hydroxy group of beta-D-glucose. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a cinnamate ester, a member of phenols and an aromatic ether. It is functionally related to a ferulic acid. 1-O-feruloyl-beta-D-glucose is a natural product found in Balanophora japonica, Linaria japonica, and other organisms with data available. A beta-D-glucoside resulting from the formal condensation of the carboxy group of ferulic acid with the anomeric hydroxy group of beta-D-glucose.
Laquinimod
C19H17ClN2O3 (356.09276420000003)
C308 - Immunotherapeutic Agent N - Nervous system
Bay K-8644
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
2-O-beta-D-Glucopyranuronosyl-D-mannose
C12H20O12 (356.09547200000003)
3-O-beta-D-Galactopyranuronosyl-D-galactose
C12H20O12 (356.09547200000003)
4-O-alpha-D-Glucopyranuronosyl-D-galactose
C12H20O12 (356.09547200000003)
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.
2-methoxyacetaminophen glucuronide(1-)
A beta-D-glucosiduronate that is the conjugate base of 2-methoxyacetaminophen glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3.
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.
(Rac)-PF-06256142
C21H16N4O2 (356.12731959999996)
(Rac)-PF-06256142 is the less effective enantiomer of PF-06256142 (HY-119943). (Rac)-PF-06256142 is an agonist of D1 receptor, with an EC50 of 107 nM. (Rac)-PF-06256142 can be used for the research of schizophrenia and Parkinson's disease[1].
PF-06256142
C21H16N4O2 (356.12731959999996)
PF-06256142 is a potent, selective, CNS-penetrant and orally active agonist of the D1 receptor, with an EC50 and Ki of 33 nM and 12 nM, respectively. PF-06256142 has the potential for the research of schizophrenia and Parkinson's disease[1].
3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
(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
(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3s,4r,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylic acid
C12H20O12 (356.09547200000003)