NCBI Taxonomy: 29747

Mallotus japonicus (ncbi_taxid: 29747)

found 178 associated metabolites at species taxonomy rank level.

Ancestor: Mallotus

Child Taxonomies: Mallotus japonicus var. oreophilus

Scopoletin

7-hydroxy-6-methoxy-2H-chromen-2-one

C10H8O4 (192.0422568)


Scopoletin is a hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. It has a role as a plant growth regulator and a plant metabolite. It is functionally related to an umbelliferone. Scopoletin is a natural product found in Ficus auriculata, Haplophyllum cappadocicum, and other organisms with data available. Scopoletin is a coumarin compound found in several plants including those in the genus Scopolia and the genus Brunfelsia, as well as chicory (Cichorium), redstem wormwood (Artemisia scoparia), stinging nettle (Urtica dioica), passion flower (Passiflora), noni (Morinda citrifolia fruit) and European black nightshade (Solanum nigrum) that is comprised of umbelliferone with a methoxy group substituent at position 6. Scopoletin is used to standardize and establish pharmacokinetic properties for products derived from the plants that produce it, such as noni extract. Although the mechanism(s) of action have not yet been established, this agent has potential antineoplastic, antidopaminergic, antioxidant, anti-inflammatory and anticholinesterase effects. Plant growth factor derived from the root of Scopolia carniolica or Scopolia japonica. See also: Arnica montana Flower (part of); Lycium barbarum fruit (part of); Viburnum opulus root (part of). Isolated from Angelica acutiloba (Dong Dang Gui). Scopoletin is found in many foods, some of which are lambsquarters, lemon, sunflower, and sherry. Scopoletin is found in anise. Scopoletin is isolated from Angelica acutiloba (Dong Dang Gui A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA72_Scopoletin_pos_20eV.txt [Raw Data] CBA72_Scopoletin_pos_40eV.txt [Raw Data] CBA72_Scopoletin_neg_30eV.txt [Raw Data] CBA72_Scopoletin_neg_50eV.txt [Raw Data] CBA72_Scopoletin_pos_50eV.txt [Raw Data] CBA72_Scopoletin_pos_10eV.txt [Raw Data] CBA72_Scopoletin_neg_40eV.txt [Raw Data] CBA72_Scopoletin_neg_10eV.txt [Raw Data] CBA72_Scopoletin_pos_30eV.txt [Raw Data] CBA72_Scopoletin_neg_20eV.txt Scopoletin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=92-61-5 (retrieved 2024-07-12) (CAS RN: 92-61-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).

   

Catechin

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C15H14O6 (290.0790344)


Catechin, also known as cyanidanol or catechuic acid, belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechin also belongs to the group of compounds known as flavan-3-ols (or simply flavanols), part of the chemical family of flavonoids. Catechin is one of the 4 catechin known diastereoisomers. Two of the isomers are in trans configuration and are called catechin and the other two are in cis configuration and are called epicatechin. The most common catechin isomer is the (+)-catechin. The other stereoisomer is (-)-catechin or ent-catechin. The most common epicatechin isomer is (-)-epicatechin. Catechin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Catechin is a bitter tasting compound and is associated with the bitterness in tea. Catechin is a plant secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Catechin is an antioxidant flavonoid, occurring especially in woody plants as both Catechin and (-)-Catechin (cis) forms. Outside of the human body, Catechin is found, on average, in the highest concentration in foods, such as blackcurrants (Ribes nigrum), evergreen blackberries (Rubus laciniatus), and blackberries (Rubus) and in a lower concentration in dills (Anethum graveolens), hot chocolates, and medlars (Mespilus germanica). Catechin has also been detected, but not quantified in, several different foods, such as rice (Oryza sativa), apple ciders, peanuts (Arachis hypogaea), fruit juices, and red teas. This could make catechin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Catechin. (+)-catechin is the (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. It has a role as an antioxidant and a plant metabolite. It is an enantiomer of a (-)-catechin. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. Cianidanol is a natural product found in Visnea mocanera, Salacia chinensis, and other organisms with data available. Catechin is a metabolite found in or produced by Saccharomyces cerevisiae. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. See also: Gallocatechin (related); Crofelemer (monomer of); Bilberry (part of) ... View More ... Present in red wine. Widespread in plants; found in a variety of foodstuffs especies apricots, broad beans, cherries, chocolate, grapes, nectarines, red wine, rhubarb, strawberries and tea The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. Catechin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=154-23-4 (retrieved 2024-07-12) (CAS RN: 154-23-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1]. (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1]. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.

   

1,2,3,4,6-Pentagalloyl_glucose

(2S,3R,4S,5R,6R)-6-(((3,4,5-Trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetrakis(3,4,5-trihydroxybenzoate)

C41H32O26 (940.1181772)


1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. It has a role as a geroprotector, a radiation protective agent, an antineoplastic agent, a radical scavenger, an anti-inflammatory agent, a plant metabolite and a hepatoprotective agent. It is a gallate ester and a galloyl beta-D-glucose. It is a conjugate acid of a 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose(1-). Pentagalloylglucose is a natural product found in Quercus aliena, Cercidiphyllum japonicum, and other organisms with data available. See also: Paeonia lactiflora root (part of); Lagerstroemia speciosa leaf (part of). A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. Pentagalloylglucose (Penta-O-galloyl-β-D-glucose) is a gallotannin isolated from various plants. It suppressed interleukin (IL)-4 induced signal pathway in B cell, and inhibited IgE production partially caused by increasing a population of Treg cells in conjunction with Treg-inducing factors. Pentagalloylglucose possesses significant anti-rabies virus (RABV) activity. Pentagalloylglucose (Penta-O-galloyl-β-D-glucose) is a gallotannin isolated from various plants. It suppressed interleukin (IL)-4 induced signal pathway in B cell, and inhibited IgE production partially caused by increasing a population of Treg cells in conjunction with Treg-inducing factors. Pentagalloylglucose possesses significant anti-rabies virus (RABV) activity.

   

Geraniin

.beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate)cyclic 3,6-(4,4,5,5,6,6-hexahydroxy[1,1-biphenyl]-2,2-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer

C41H28O27 (952.0817938)


Geraniin is a tannin. Geraniin is a natural product found in Euphorbia makinoi, Macaranga tanarius, and other organisms with data available. Geraniin is a TNF-α releasing inhibitor with numerous activities including anticancer, anti-inflammatory, and anti-hyperglycemic activities, with an IC50 of 43 μM. Geraniin is a TNF-α releasing inhibitor with numerous activities including anticancer, anti-inflammatory, and anti-hyperglycemic activities, with an IC50 of 43 μM.

   

Bergenin

NCGC00346587-02_C14H16O9_Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-

C14H16O9 (328.0794286)


Bergenin is a trihydroxybenzoic acid. It has a role as a metabolite. Bergenin is a natural product found in Ficus racemosa, Ardisia paniculata, and other organisms with data available. A natural product found in Cenostigma gardnerianum. C26170 - Protective Agent > C275 - Antioxidant Annotation level-1 Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2]. Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2].

   

Gallic acid

3,4,5-trihydroxybenzoic acid

C7H6O5 (170.0215226)


Gallic acid is an odorless white solid. Sinks in water. (USCG, 1999) Gallic acid is a trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. It has a role as an astringent, a cyclooxygenase 2 inhibitor, a plant metabolite, an antioxidant, an antineoplastic agent, a human xenobiotic metabolite, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an apoptosis inducer and a geroprotector. It is a conjugate acid of a gallate. Gallic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Gallic Acid is a natural product found in Visnea mocanera, Ardisia paniculata, and other organisms with data available. Gallic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A colorless or slightly yellow crystalline compound obtained from nutgalls. It is used in photography, pharmaceuticals, and as an analytical reagent. See also: Gallic acid monohydrate (active moiety of); Paeonia lactiflora root (part of); Galium aparine whole (part of) ... View More ... Gallic acid is an organic acid, also known as 3,4,5-trihydroxybenzoic acid, found in gallnuts, sumac, witch hazel, tea leaves, oak bark, and other plants. The chemical formula is C6H2(OH)3CO2H. Gallic acid is widely distributed in plants and is found both free and as part of tannins. It is commonly used in the pharmaceutical industry. Gallic acid can also be used to synthesize the hallucinogenic alkaloid mescaline, also known as 3,4,5-trimethoxyphenethylamine. Salts and esters of gallic acid are termed gallates. Gallic acid has been found to be s metabolite of Aspergillus (PMID:24031294). A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. Present in red wine. Japan approved food antioxidant additive Gallic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=149-91-7 (retrieved 2024-07-01) (CAS RN: 149-91-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].

   

Niacinamide

pyridine-3-carboxamide

C6H6N2O (122.0480106)


Nicotinamide is a white powder. (NTP, 1992) Nicotinamide is a pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor, a metabolite, a cofactor, an antioxidant, a neuroprotective agent, an EC 3.5.1.98 (histone deacetylase) inhibitor, an anti-inflammatory agent, a Sir2 inhibitor, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite, a human urinary metabolite and a geroprotector. It is a vitamin B3, a pyridinecarboxamide and a pyridine alkaloid. It is functionally related to a nicotinic acid. An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. Niacinamide is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Nicotinamide is a natural product found in Mus musculus, Euonymus grandiflorus, and other organisms with data available. Niacinamide is the active form of vitamin B3 and a component of the coenzyme nicotinamide adenine dinucleotide (NAD). Niacinamide acts as a chemo- and radio-sensitizing agent by enhancing tumor blood flow, thereby reducing tumor hypoxia. This agent also inhibits poly(ADP-ribose) polymerases, enzymes involved in the rejoining of DNA strand breaks induced by radiation or chemotherapy. Nicotinamide is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. Niacinamide or vitamin B3 is an important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. Niacinamide is used to increase the effect of radiation therapy on tumor cells. Niacin (nicotinic acid) and niacinamide, while both labeled as vitamin B3 also have different applications. Niacinamide is useful in arthritis and early-onset type I diabetes while niacin is an effective reducer of high cholesterol levels. Niacinamide is a metabolite found in or produced by Saccharomyces cerevisiae. An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and PELLAGRA. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. See also: Adenosine; Niacinamide (component of); Dapsone; niacinamide (component of); Adenosine; Niacinamide; Titanium Dioxide (component of) ... View More ... Niacinamide, also known as nicotinamide (NAM), is a form of vitamin B3 found in food and used as a dietary supplement and medication. Niacinamide belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. The structure of nicotinamide consists of a pyridine ring to which a primary amide group is attached in the meta position. It is an amide of nicotinic acid. As an aromatic compound, it undergoes electrophilic substitution reactions and transformations of its two functional groups. Niacinamide and phosphoribosyl pyrophosphate can be converted into nicotinic acid mononucleotide and phosphate by the enzyme nicotinamide phosphoribosyltransferase. In humans, niacinamide is involved in the metabolic disorder called the nad+ signalling pathway (cancer). Niacinamide is an odorless tasting compound. Outside of the human body, niacinamide is found, on average, in the highest concentration within a few different foods, such as common sages, cow milk, and cocoa beans and in a lower concentration in common pea. Niacinamide has also been detected, but not quantified in several different foods, such as yardlong beans, roselles, apples, oyster mushrooms, and swiss chards. Niacinamide occurs in trace amounts mainly in meat, fish, nuts, and mushrooms, as well as to a lesser extent in some vegetables. It is commonly added to cereals and other foods. Many multivitamins contain 20–30 mg of vitamin B3 and it is also available in higher doses. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. COVID info from COVID-19 Disease Map, WikiPathways, PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. Widespread in plants, e.g. rice, yeast and fungi. Dietary supplement, may be used in infant formulas Nicotinamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=98-92-0 (retrieved 2024-07-01) (CAS RN: 98-92-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4].

   

Rutin

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one;Rutin

C27H30O16 (610.153378)


Rutin is a flavonoid known to have a variety of biological activities including antiallergic, anti-inflammatory, antiproliferative, and anticarcinogenic properties. A large number of flavonoids, mostly O-glycosides, are polyphenolic compounds of natural origin that are present in most fruits and vegetables. The average intake of the compounds by humans on a normal diet is more than 1 g per day. Although flavonoids are devoid of classical nutritional value, they are increasingly viewed as beneficial dietary components that act as potential protectors against human diseases such as coronary heart disease, cancers, and inflammatory bowel disease. Rutin acts as a quercetin deliverer to the large intestine; moreover, quercetin is extensively metabolized in the large intestine, which suggests that quercetin liberated from rutin and/or its colonic metabolites may play a role. Rutins anti-inflammatory actions are mediated through a molecular mechanism that underlies the quercetin-mediated therapeutic effects: quercetin-mediated inhibition of tumor necrosis factor-alpha (TNF-alpha)-induced nuclear factor kappa B (NFkB) activation. TNF-alpha-induced NFkB activity plays a central role in the production of pro-inflammatory mediators involved in progression of gut inflammation. (PMID:16132362). Rutin is a rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. It has a role as a metabolite and an antioxidant. It is a disaccharide derivative, a quercetin O-glucoside, a tetrahydroxyflavone and a rutinoside. A flavonol glycoside found in many plants, including buckwheat; tobacco; forsythia; hydrangea; viola, etc. It has been used therapeutically to decrease capillary fragility. Rutin is a natural product found in Ficus virens, Visnea mocanera, and other organisms with data available. A flavonol glycoside found in many plants, including BUCKWHEAT; TOBACCO; FORSYTHIA; HYDRANGEA; VIOLA, etc. It has been used therapeutically to decrease capillary fragility. See also: Quercetin (related); Ginkgo (part of); Chamomile (part of) ... View More ... First isolated from Ruta graveolens (rue). Bioflavanoid. Quercetin 3-rutinoside is found in many foods, some of which are tea, bilberry, common oregano, and lemon grass. A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. C - Cardiovascular system > C05 - Vasoprotectives > C05C - Capillary stabilizing agents > C05CA - Bioflavonoids IPB_RECORD: 541; CONFIDENCE confident structure [Raw Data] CBA04_Rutin_neg_50eV.txt [Raw Data] CBA04_Rutin_pos_50eV.txt [Raw Data] CBA04_Rutin_neg_40eV.txt [Raw Data] CBA04_Rutin_pos_10eV.txt [Raw Data] CBA04_Rutin_neg_20eV.txt [Raw Data] CBA04_Rutin_neg_10eV.txt [Raw Data] CBA04_Rutin_neg_30eV.txt [Raw Data] CBA04_Rutin_pos_40eV.txt [Raw Data] CBA04_Rutin_pos_30eV.txt [Raw Data] CBA04_Rutin_pos_20eV.txt Rutin (Rutoside) is a flavonoid found in many plants and shows a wide range of biological activities including anti-inflammatory, antidiabetic, antioxidant, neuroprotective, nephroprotective, hepatoprotective and reducing Aβ oligomer activities. Rutin can cross the blood brain barrier. Rutin attenuates vancomycin-induced renal tubular cell apoptosis via suppression of apoptosis, mitochondrial dysfunction, and oxidative stress[1][2][3]. Rutin (Rutoside) is a flavonoid found in many plants and shows a wide range of biological activities including anti-inflammatory, antidiabetic, antioxidant, neuroprotective, nephroprotective, hepatoprotective and reducing Aβ oligomer activities. Rutin can cross the blood brain barrier. Rutin attenuates vancomycin-induced renal tubular cell apoptosis via suppression of apoptosis, mitochondrial dysfunction, and oxidative stress[1][2][3].

   

Epigallocatechin gallate

Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-

C22H18O11 (458.0849078)


Epigallocatechin gallate (EGCG) is the principal catechin in tea from Camellia sinensis, the most consumed beverage worldwide (after water). Depending on brew time and temperature, a single cup of green tea may contain 100-200 mg EGCG. To control the dose of EGCG administered in experimental studies, green tea solids (GTS) or capsules of green tea extract standardized to EGCG content are often employed. However, there is considerable variability in the EGCG content of commercially available dietary supplements, ranging from 12-143\\\\\\\\% of the tablet or capsule weight. While standardizing tea preparations to EGCG or using highly purified EGCG for research presents an important strategy for the conduct of precise studies as well as the ability to replicate experiments, it is worth noting this approach limits the potential contributions and possible synergy with other bioactive tea ingredients, including caffeine and other flavonoids. Human studies of the bioavailability of green tea catechins reveal these compounds to be poorly absorbed, with <0.1\\\\\\\\% of ingested catechins appearing in blood. Most ingested EGCG is rapidly cleared from blood with an elimination half-life of {approx}3 h and preferentially excreted via bile to the colon. The growing interest in the role of EGCG in health promotion and disease prevention is reflected by an exponential growth of research publications in this field. (J Am Coll Nutr. 2007 Aug;26(4):362S-365S). (-)-epigallocatechin 3-gallate is a gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. It has a role as an antineoplastic agent, an antioxidant, a Hsp90 inhibitor, a neuroprotective agent, a plant metabolite, a geroprotector and an apoptosis inducer. It is a gallate ester, a polyphenol and a member of flavans. It is functionally related to a (-)-epigallocatechin. Epigallocatechin gallate has been investigated for the treatment of Hypertension and Diabetic Nephropathy. (-)-Epigallocatechin gallate is a natural product found in Limoniastrum guyonianum, Scurrula atropurpurea, and other organisms with data available. Epigallocatechin Gallate is a phenolic antioxidant found in a number of plants such as green and black tea. It inhibits cellular oxidation and prevents free radical damage to cells. It is under study as a potential cancer chemopreventive agent. (NCI) A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2759; ORIGINAL_PRECURSOR_SCAN_NO 2758 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2748; ORIGINAL_PRECURSOR_SCAN_NO 2746 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2762; ORIGINAL_PRECURSOR_SCAN_NO 2760 ORIGINAL_ACQUISITION_NO 2759; CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 2758 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2759; ORIGINAL_PRECURSOR_SCAN_NO 2756 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5920; ORIGINAL_PRECURSOR_SCAN_NO 5917 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5910; ORIGINAL_PRECURSOR_SCAN_NO 5905 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2828; ORIGINAL_PRECURSOR_SCAN_NO 2826 ORIGINAL_PRECURSOR_SCAN_NO 2760; CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2762 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5924; ORIGINAL_PRECURSOR_SCAN_NO 5919 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2754; ORIGINAL_PRECURSOR_SCAN_NO 2752 CONFIDENCE standard compound; INTERNAL_ID 179 Annotation level-1 (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4].

   

1,2,3,6-Tetragalloyl-beta-D-glucopyranose

[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose is a natural product found in Castanea crenata, Quercus aliena, and other organisms with data available. See also: Paeonia lactiflora root (part of). 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is found in beverages. 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is isolated from Ceratonia siliqua (carob). Isolated from Ceratonia siliqua (carob). 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is found in beverages and fruits. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1]. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1].

   

Ellagic acid

6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione

C14H6O8 (302.0062676)


Ellagic acid appears as cream-colored needles (from pyridine) or yellow powder. Odorless. (NTP, 1992) Ellagic acid is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It has a role as an antioxidant, a food additive, a plant metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor, an EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor, an EC 2.4.1.1 (glycogen phosphorylase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor, an EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor, an EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor, a skin lightening agent, a fungal metabolite, an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor and a geroprotector. It is an organic heterotetracyclic compound, a cyclic ketone, a lactone, a member of catechols and a polyphenol. It is functionally related to a gallic acid. Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acids therapeutic action mostly involves antioxidant and anti-proliferative effects. Ellagic acid is a natural product found in Fragaria chiloensis, Metrosideros perforata, and other organisms with data available. Ellagic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A fused four ring compound occurring free or combined in galls. Isolated from the kino of Eucalyptus maculata Hook and E. Hemipholia F. Muell. Activates Factor XII of the blood clotting system which also causes kinin release; used in research and as a dye. Ellagic acid is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It has a role as an antioxidant, a food additive, a plant metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor, an EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor, an EC 2.4.1.1 (glycogen phosphorylase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor, an EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor, an EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor, a skin lightening agent, a fungal metabolite and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is an organic heterotetracyclic compound, a cyclic ketone, a lactone, a member of catechols and a polyphenol. It derives from a gallic acid. Ellagic acid, also known as ellagate, belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. The antiproliferative and antioxidant properties of ellagic acid have spurred preliminary research into the potential health benefits of ellagic acid consumption. Ellagic acids therapeutic action mostly involves antioxidant and anti-proliferative/anti-cancer effects. Ellagic acid is found, on average, in the highest concentration within a few different foods, such as chestnuts, common walnuts, and japanese walnuts and in a lower concentration in whiskies, arctic blackberries, and cloudberries. Ellagic acid has also been detected, but not quantified in several different foods, such as lowbush blueberries, bilberries, guava, strawberry guava, and bog bilberries. An organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. Widely distributed in higher plants especies dicotyledons. Intestinal astringent, dietary role disputed. Nutriceutical with anticancer and antioxidation props. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM.

   

(+)-Gallocatechin

(2R,3S)-3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol

C15H14O7 (306.0739494)


Widespread in plants; found especies in green tea, redcurrants, gooseberries and marrowfat peas. Potential nutriceutical. Gallocatechin is found in many foods, some of which are broad bean, broccoli, quince, and common grape. (+)-Gallocatechin is found in adzuki bean. (+)-Gallocatechin is widespread in plants; found especially in green tea, redcurrants, gooseberries and marrowfat peas. Potential nutriceutical. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1].

   

Corilagin

(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate

C27H22O18 (634.0806112)


Corilagin is a member of the class of compounds known as ellagitannins, a class of hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models: (1) a structure containing galloyl units (in some cases, shikimic acid units) linked to diverse polyol carbohydrate, catechin, or triterpenoid units, or (2) a structure containing at least two galloyl units C-C coupled to each other and not containing a glycosidically linked catechin unit. Corilagin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Corilagin can be found in pomegranate, which makes corilagin a potential biomarker for the consumption of this food product. Corilagin was first isolated in 1951 from Dividivi extract and from Caesalpinia coriaria, hence the name of the molecule. It can also be found in Alchornea glandulosa and in the leaves of Punica granatum (pomegranate) (Wikipedia). Corilagin has been shown to exhibit thrombolytic function (PMID: 14750026). Corilagin is an ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core. It has a role as an antihypertensive agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a non-steroidal anti-inflammatory drug and an antioxidant. It is an ellagitannin and a gallate ester. Corilagin is a natural product found in Euphorbia fischeriana, Euphorbia hyssopifolia, and other organisms with data available. Corilagin is a gallotannin. It can be found in Alchornea glandulosa. [Wikipedia] Corilagin, a gallotannin, has anti-tumor, anti-inflammatory and hepatoprotective activities. Corilagin inhibits activity of reverse transcriptase of RNA tumor viruses. Corilagin also inhibits the growth of Staphylococcus aureus with a MIC of 25 μg/mL. Corilagin shows anti-tumor activity on hepatocellular carcinoma and ovarian cancer model. Corilagin shows low toxicity to normal cells and tissues[1][2][3]. Corilagin, a gallotannin, has anti-tumor, anti-inflammatory and hepatoprotective activities. Corilagin inhibits activity of reverse transcriptase of RNA tumor viruses. Corilagin also inhibits the growth of Staphylococcus aureus with a MIC of 25 μg/mL. Corilagin shows anti-tumor activity on hepatocellular carcinoma and ovarian cancer model. Corilagin shows low toxicity to normal cells and tissues[1][2][3].

   

1,6-di-O-Galloylglucose

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O14 (484.085302)


1,6-di-o-galloylglucose, also known as 1-o,6-O-digalloyl-beta-D-glucose or dgg16 cpd, is a member of the class of compounds known as tannins. Tannins are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). 1,6-di-o-galloylglucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1,6-di-o-galloylglucose can be found in garden rhubarb, which makes 1,6-di-o-galloylglucose a potential biomarker for the consumption of this food product.

   

Galloyl glucose

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxybenzoate

C13H16O10 (332.0743436)


Galloyl glucose, also known as 1-galloyl-beta-D-glucose or beta-glucogallin, is a member of the class of compounds known as tannins. Tannins are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). Galloyl glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). Galloyl glucose can be found in a number of food items such as pomegranate, strawberry, redcurrant, and rubus (blackberry, raspberry), which makes galloyl glucose a potential biomarker for the consumption of these food products. Galloyl glucose is formed by a gallate 1-beta-glucosyltransferase (UDP-glucose: gallate glucosyltransferase), an enzyme performing the esterification of two substrates, UDP-glucose and gallate to yield two products, UDP and glucogallin. This enzyme can be found in oak leaf preparations .

   

phlorisobutyrophenone

2-Methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one

C10H12O4 (196.0735552)


Phlorisobutyrophenone, also known as 2-methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone or 1-isobutanoyl-2,4,6-trihydroxybenzene, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Phlorisobutyrophenone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Phlorisobutyrophenone can be found in a number of food items such as chickpea, common cabbage, angelica, and swamp cabbage, which makes phlorisobutyrophenone a potential biomarker for the consumption of these food products.

   

Butyrylmallotochromene

1-Butanone, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-

C26H30O8 (470.194058)


   

Isobutyrylmallotochromene

Isobutyrylmallotochromene

C26H30O8 (470.194058)


   
   

Mallotusinic acid

Mallotusinic acid (undefined stereochemistry)

C48H32O32 (1120.0876672)


   
   

11-o-Galloylbergenin

(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate

C21H20O13 (480.090387)


   

Arachisprenol 11

(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol

C55H90O (766.699129)


Arachisprenol 11 is found in nuts. Arachisprenol 11 is a constituent of Arachis hypogaea (peanut) Constituent of Arachis hypogaea (peanut). Arachisprenol 11 is found in nuts.

   
   

(-)-Epicatechin 3-O-gallate

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-

C22H18O10 (442.0899928)


(-)-epicatechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. It has a role as a metabolite, an EC 3.2.1.1 (alpha-amylase) inhibitor and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a catechin, a gallate ester and a polyphenol. It is functionally related to a (-)-epicatechin and a gallic acid. (-)-Epicatechin gallate is a natural product found in Scurrula atropurpurea, Acacia omalophylla, and other organisms with data available. Isolated from tea and numerous other plant subspecies inc. rhubarb and grapes. Epicatechin 3-gallate is found in many foods, some of which are cucumber, muskmelon, black raspberry, and cashew nut. A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. (-)-Epicatechin 3-O-gallate is found in almond. (-)-Epicatechin 3-O-gallate is isolated from tea and numerous other plant species including rhubarb and grapes. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

1,6-Digalloyl-beta-D-glucopyranose

[3,4,5-Trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C20H20O14 (484.085302)


1,6-Digalloyl-beta-D-glucopyranose is found in green vegetables. 1,6-Digalloyl-beta-D-glucopyranose is present in commercial rhubarb. Present in commercial rhubarb. 1,6-Digalloyl-beta-D-glucopyranose is found in green vegetables.

   

beta-Glucogallin

3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxybenzoic acid

C13H16O10 (332.0743436)


beta-Glucogallin is found in green vegetables. beta-Glucogallin is isolated from various plants, e.g. Rheum officinale (Chinese rhubarb), Eucalyptus species. Isolated from various plants, e.g. Rheum officinale (Chinese rhubarb), Eucalyptus subspecies 1-Glucosyl gallate is found in tea and green vegetables.

   

Arachisprenol 10

(2Z,6Z,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol

C50H82O (698.6365322)


Arachisprenol 10 is found in nuts. Arachisprenol 10 is a constituent of Arachis hypogaea (peanut) Constituent of Arachis hypogaea (peanut). Arachisprenol 10 is found in nuts.

   

2-Methoxyhydroquinone

2-Methoxyhydroquinone

C7H8O3 (140.0473418)


   

Solanesol

3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol

C45H74O (630.5739354)


   

(+)-Gallocatechin

4-{1-Butyl-9-[1-(4,6-dimethyl-pyrimidine-5-carbonyl)-4-methyl-piperidin-4-yl]-2-oxo-3,0-diaza-spiro[5.5]undec-3-ylmethyl}-piperidine-1-carboxylic acid methyl ester

C15H14O7 (306.0739494)


Gallocatechin is a catechin that is a flavan substituted by hydroxy groups at positions 3, 3, 4, 5, 5 and 7 (the trans isomer). It is isolated from Acacia mearnsii. It has a role as a metabolite. It is a catechin and a flavan-3,3,4,5,5,7-hexol. (+)-Gallocatechin is a natural product found in Saxifraga cuneifolia, Quercus dentata, and other organisms with data available. See also: Cianidanol (related); Crofelemer (monomer of); Green tea leaf (part of). Widespread in plants; found especies in green tea, redcurrants, gooseberries and marrowfat peas. Potential nutriceutical. Gallocatechin is found in many foods, some of which are broad bean, broccoli, quince, and common grape. (+)-Gallocatechin is found in adzuki bean. (+)-Gallocatechin is widespread in plants; found especially in green tea, redcurrants, gooseberries and marrowfat peas. Potential nutriceutical. A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1].

   

Solanesol

2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-

C45H74O (630.5739354)


Solanesol is a nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). It has a role as a plant metabolite. It is a nonaprenol and a primary alcohol. Solanesol is a natural product found in Vachellia pennatula, Solanum aculeatissimum, and other organisms with data available. A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). Solanesol is an aliphatic terpene alcohol mainly found in Solanaceous plants, with anti-inflammatory, neuroprotective, and antimicrobial activities[1]. Solanesol is an aliphatic terpene alcohol mainly found in Solanaceous plants, with anti-inflammatory, neuroprotective, and antimicrobial activities[1].

   

Norbergenin

Pyrano(3,2-c)(2)benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-

C13H14O9 (314.06377940000004)


(2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one is a natural product found in Ardisia paniculata, Saxifraga stolonifera, and other organisms with data available. Norbergenin, the O-demethyl derivative of bergenin, shows moderate antioxidant activity (IC50 13 μM in DPPH radical scavenging; 32 μM in superoxide anion scavenging)[1]. Norbergenin, the O-demethyl derivative of bergenin, shows moderate antioxidant activity (IC50 13 μM in DPPH radical scavenging; 32 μM in superoxide anion scavenging)[1].

   

4,4-Di-O-methylellagic acid

4,4-Di-O-methylellagic acid

C16H10O8 (330.037566)


   

isomallotochromene

isomallotochromene

C24H26O8 (442.1627596)


   

Catechin

(+)-Catechin Hydrate

C15H14O6 (290.0790344)


Annotation level-1 Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.

   

gallocatechol

2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-rel-

C15H14O7 (306.0739494)


(-)-Gallocatechin, an epimer of (-)-Epigallocatechin (EGC), is contained in various tea products. (-)-Gallocatechin has antioxidant activities[1][2][3]. (-)-Gallocatechin, an epimer of (-)-Epigallocatechin (EGC), is contained in various tea products. (-)-Gallocatechin has antioxidant activities[1][2][3]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (-)-Gallocatechin, an epimer of (-)-Epigallocatechin (EGC), is contained in various tea products. (-)-Gallocatechin has antioxidant activities[1][2][3]. (-)-Gallocatechin, an epimer of (-)-Epigallocatechin (EGC), is contained in various tea products. (-)-Gallocatechin has antioxidant activities[1][2][3]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1]. (+)-Gallocatechin is a polyphenol compound from green tea, possesses anticancer activity[1].

   
   

Rutin

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone

C27H30O16 (610.153378)


C - Cardiovascular system > C05 - Vasoprotectives > C05C - Capillary stabilizing agents > C05CA - Bioflavonoids CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2352 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.724 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.728 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 1921; CONFIDENCE confident structure Rutin (Rutoside) is a flavonoid found in many plants and shows a wide range of biological activities including anti-inflammatory, antidiabetic, antioxidant, neuroprotective, nephroprotective, hepatoprotective and reducing Aβ oligomer activities. Rutin can cross the blood brain barrier. Rutin attenuates vancomycin-induced renal tubular cell apoptosis via suppression of apoptosis, mitochondrial dysfunction, and oxidative stress[1][2][3]. Rutin (Rutoside) is a flavonoid found in many plants and shows a wide range of biological activities including anti-inflammatory, antidiabetic, antioxidant, neuroprotective, nephroprotective, hepatoprotective and reducing Aβ oligomer activities. Rutin can cross the blood brain barrier. Rutin attenuates vancomycin-induced renal tubular cell apoptosis via suppression of apoptosis, mitochondrial dysfunction, and oxidative stress[1][2][3].

   
   

Scopoletin

Scopoletin

C10H8O4 (192.0422568)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.636 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.637 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.629 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.631 IPB_RECORD: 1582; CONFIDENCE confident structure Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).

   

Ellagic Acid

Ellagic Acid

C14H6O8 (302.0062676)


Origin: Plant, Ellagic acids, Benzopyranoids, Pyrans Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM.

   

Catechol

(+)-Catechin Hydrate

C15H14O6 (290.0790344)


Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.

   

solanesol

solanesol

C45H74O (630.5739354)


Solanesol is a member of the class of compounds known as polyprenols. Polyprenols are prenols with more than 4 consecutive isoprene units. Solanesol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Solanesol can be found in potato, which makes solanesol a potential biomarker for the consumption of this food product. Solanesol is an aliphatic terpene alcohol mainly found in Solanaceous plants, with anti-inflammatory, neuroprotective, and antimicrobial activities[1]. Solanesol is an aliphatic terpene alcohol mainly found in Solanaceous plants, with anti-inflammatory, neuroprotective, and antimicrobial activities[1].

   

2-Methoxyhydroquinone

2-Methoxyhydroquinone

C7H8O3 (140.0473418)


   

Catechin 3-O-gallate

Catechin 3-O-gallate

C22H18O10 (442.0899928)


   

6-Galloylglucose

(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

C13H16O10 (332.0743436)


   

Ficaprenol 11

3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2Z,6Z,1Z0,14Z,18Z,22Z,26Z,30E,34E,38E,42-undecaen-1-ol

C55H90O (766.699129)


   

Scopoletol

2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI)

C10H8O4 (192.0422568)


Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).

   

KB-53

2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-

C15H14O6 (290.0790344)


Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.

   

GALOP

InChI=1\C7H6O5\c8-4-1-3(7(11)12)2-5(9)6(4)10\h1-2,8-10H,(H,11,12

C7H6O5 (170.0215226)


C26170 - Protective Agent > C275 - Antioxidant Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].

   

Pelmin

InChI=1\C6H6N2O\c7-6(9)5-2-1-3-8-4-5\h1-4H,(H2,7,9

C6H6N2O (122.0480106)


COVID info from COVID-19 Disease Map, WikiPathways, PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials A - Alimentary tract and metabolism > A11 - Vitamins C26170 - Protective Agent > C275 - Antioxidant D018977 - Micronutrients > D014815 - Vitamins Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4].

   

116964-16-0

1-[6-[(3-ethanoyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl]-2-methyl-propan-1-one

C26H30O8 (470.194058)


   

E3893_SIAL

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-

C22H18O10 (442.0899928)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

Teavigo

(-)-Epigallocatechin gallate (85\\% (-)-epigallocatechin gallate, 10\\% (-)-epigallocatechin, 5\\% (-)- epicatechin gallate)

C22H18O11 (458.0849078)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4].

   

AIDS-085621

3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-tetrahydropyranyl] ester

C20H20O14 (484.085302)


   

554-37-0

3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester

C13H16O10 (332.0743436)


   

824-46-4

InChI=1\C7H8O3\c1-10-7-4-5(8)2-3-6(7)9\h2-4,8-9H,1H

C7H8O3 (140.0473418)


   

AIDS-070887

3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-2,3,5-tris[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester

C41H32O26 (940.1181772)


Pentagalloylglucose (Penta-O-galloyl-β-D-glucose) is a gallotannin isolated from various plants. It suppressed interleukin (IL)-4 induced signal pathway in B cell, and inhibited IgE production partially caused by increasing a population of Treg cells in conjunction with Treg-inducing factors. Pentagalloylglucose possesses significant anti-rabies virus (RABV) activity. Pentagalloylglucose (Penta-O-galloyl-β-D-glucose) is a gallotannin isolated from various plants. It suppressed interleukin (IL)-4 induced signal pathway in B cell, and inhibited IgE production partially caused by increasing a population of Treg cells in conjunction with Treg-inducing factors. Pentagalloylglucose possesses significant anti-rabies virus (RABV) activity.

   

1,2,4,6-Tetragalloylglucose

1,2,4,6-Tetragalloylglucose

C34H28O22 (788.1072188)


   

Mallotusinic acid (undefined stereochemistry)

Mallotusinic acid (undefined stereochemistry)

C48H32O32 (1120.0876672)


   

NP-003686

[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose is a natural product found in Castanea crenata, Quercus aliena, and other organisms with data available. See also: Paeonia lactiflora root (part of). 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1]. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1].

   

beta-Glucogallin

1-Galloyl-beta-glucose

C13H16O10 (332.0743436)


   

Phlorisobutyrophenone

Phlorisobutyrophenone

C10H12O4 (196.0735552)


   

1,6-bis-O-galloyl-beta-D-glucose

1,6-bis-O-galloyl-beta-D-glucose

C20H20O14 (484.085302)


A galloyl-beta-D-glucose compound having two galloyl groups in the 1- and 6-positions.

   

{3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl}methyl 3,4,5-trihydroxybenzoate

{3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl}methyl 3,4,5-trihydroxybenzoate

C27H22O18 (634.0806112)


   

3,4,5,20,21,22-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyloxy)-13-[(3,4,5-trihydroxybenzoyloxy)methyl]-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate

3,4,5,20,21,22-hexahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyloxy)-13-[(3,4,5-trihydroxybenzoyloxy)methyl]-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate

C41H30O26 (938.102528)


   

[(10r,11r,13r,14r,15s)-3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate

[(10r,11r,13r,14r,15s)-3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate

C27H22O18 (634.0806112)


   

(2z,6z,10z,14z,18z,22z,26z,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol

(2z,6z,10z,14z,18z,22z,26z,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol

C55H90O (766.699129)


   

(1s,19r,21s,22r,23r)-6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-22-yl 3,4,5-trihydroxybenzoate

(1s,19r,21s,22r,23r)-6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-22-yl 3,4,5-trihydroxybenzoate

C34H26O22 (786.0915696)


   

(7r,8s,26r,28s,29s)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.0⁴,³⁸.0⁷,²⁶.0⁸,²⁹.0¹¹,¹⁶.0¹⁷,²².0³²,³⁷]tetraconta-3,11,13,15,17(22),18,20,32,34,36-decaen-28-yl 3,4,5-trihydroxybenzoate

(7r,8s,26r,28s,29s)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.0⁴,³⁸.0⁷,²⁶.0⁸,²⁹.0¹¹,¹⁶.0¹⁷,²².0³²,³⁷]tetraconta-3,11,13,15,17(22),18,20,32,34,36-decaen-28-yl 3,4,5-trihydroxybenzoate

C41H28O27 (952.0817938)


   

[(2r,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

C21H20O13 (480.090387)


   

(2s,3r,4s,5r,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4s,5r,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(10r,11r,13r,14r,15s)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaene-8,17-dione

(10r,11r,13r,14r,15s)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaene-8,17-dione

C20H18O14 (482.0696528)


   

[3-hydroxy-6-(4-hydroxy-3-methoxyphenoxy)-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[3-hydroxy-6-(4-hydroxy-3-methoxyphenoxy)-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H30O20 (758.1330379999999)


   

[(2s,4r,5r,6r,7s)-12,14-dihydroxy-13-methoxy-9-oxo-5,6-bis(3,4,5-trihydroxybenzoyloxy)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

[(2s,4r,5r,6r,7s)-12,14-dihydroxy-13-methoxy-9-oxo-5,6-bis(3,4,5-trihydroxybenzoyloxy)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

C35H28O21 (784.1123038000001)


   

5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexyl 3,4,5-trihydroxybenzoate

(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexyl 3,4,5-trihydroxybenzoate

C13H16O10 (332.0743436)


   

(10r,11r,13r,14r,15s)-3,4,5,11,20,21,22-heptahydroxy-8,17-dioxo-13-[(3,4,5-trihydroxybenzoyloxy)methyl]-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-14-yl 3,4,5-trihydroxybenzoate

(10r,11r,13r,14r,15s)-3,4,5,11,20,21,22-heptahydroxy-8,17-dioxo-13-[(3,4,5-trihydroxybenzoyloxy)methyl]-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-14-yl 3,4,5-trihydroxybenzoate

C34H26O22 (786.0915696)


   

3a,6,13',14',18',19',25'-heptahydroxy-5'-(hydroxymethyl)-2,2',10',23'-tetraoxo-6,6a-dihydro-5h-3',6',9',20',24'-pentaoxaspiro[furo[3,2-b]furan-3,21'-hexacyclo[17.2.2.1⁴,⁸.1¹⁵,¹⁸.0¹,¹⁷.0¹¹,¹⁶]pentacosane]-11'(16'),12',14'-trien-7'-yl 3,4,5-trihydroxybenzoate

3a,6,13',14',18',19',25'-heptahydroxy-5'-(hydroxymethyl)-2,2',10',23'-tetraoxo-6,6a-dihydro-5h-3',6',9',20',24'-pentaoxaspiro[furo[3,2-b]furan-3,21'-hexacyclo[17.2.2.1⁴,⁸.1¹⁵,¹⁸.0¹,¹⁷.0¹¹,¹⁶]pentacosane]-11'(16'),12',14'-trien-7'-yl 3,4,5-trihydroxybenzoate

C33H28O24 (808.0970488)


   

(10r,11s,13r,14r,15s)-3,4,5,14,20,21,22-heptahydroxy-8,17-dioxo-13-[(3,4,5-trihydroxybenzoyloxy)methyl]-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate

(10r,11s,13r,14r,15s)-3,4,5,14,20,21,22-heptahydroxy-8,17-dioxo-13-[(3,4,5-trihydroxybenzoyloxy)methyl]-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(18),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate

C34H26O22 (786.0915696)


   

[12,14-dihydroxy-13-methoxy-9-oxo-5,6-bis(3,4,5-trihydroxybenzoyloxy)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

[12,14-dihydroxy-13-methoxy-9-oxo-5,6-bis(3,4,5-trihydroxybenzoyloxy)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

C35H28O21 (784.1123038000001)


   

1-{3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]phenyl}-2-methylpropan-1-one

1-{3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]phenyl}-2-methylpropan-1-one

C26H32O9 (488.2046222)


   

(2r,4s,5r,6r,7s)-5,6,12,13,14-pentahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one

(2r,4s,5r,6r,7s)-5,6,12,13,14-pentahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one

C13H14O9 (314.06377940000004)


   

(1r,3as,3br,5as,7s,9ar,9bs,11ar)-7-{[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9ar,9bs,11ar)-7-{[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

C41H62O19 (858.3885101999999)


   

1-(3-{[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-2,6-dihydroxy-4-methoxy-5-methylphenyl)ethanone

1-(3-{[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-2,6-dihydroxy-4-methoxy-5-methylphenyl)ethanone

C24H28O8 (444.1784088)