NCBI Taxonomy: 53720
Helenium (ncbi_taxid: 53720)
found 500 associated metabolites at genus taxonomy rank level.
Ancestor: Gaillardiinae
Child Taxonomies: Helenium flexuosum, Helenium amarum, Helenium vernale, Helenium elegans, Helenium apterum, Helenium glaucum, Helenium thurberi, Helenium donianum, Helenium radiatum, Helenium scaposum, Helenium campestre, Helenium urmenetae, Helenium autumnale, Helenium bolanderi, Helenium mexicanum, Helenium ovallense, Helenium puberulum, Helenium bigelovii, Helenium virginicum, Helenium arizonicum, Helenium aromaticum, Helenium atacamense, Helenium drummondii, Helenium laciniatum, Helenium linifolium, Helenium brevifolium, Helenium pinnatifidum, unclassified Helenium, Helenium chihuahuense, Helenium microcephalum, Helenium vallenariense, Helenium quadridentatum, Helenium scorzonerifolium
Scopoletin
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).
Quercetin
Quercetin appears as yellow needles or yellow powder. Converts to anhydrous form at 203-207 °F. Alcoholic solutions taste very bitter. (NTP, 1992) Quercetin is a pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3-, 4-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. It has a role as an antibacterial agent, an antioxidant, a protein kinase inhibitor, an antineoplastic agent, an EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor, a plant metabolite, a phytoestrogen, a radical scavenger, a chelator, an Aurora kinase inhibitor and a geroprotector. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a quercetin-7-olate. Quercetin is a flavonol widely distributed in plants. It is an antioxidant, like many other phenolic heterocyclic compounds. Glycosylated forms include RUTIN and quercetrin. Quercetin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Quercetin is a flavonoid found in many foods and herbs and is a regular component of a normal diet. Extracts of quercetin have been used to treat or prevent diverse conditions including cardiovascular disease, hypercholesterolemia, rheumatic diseases, infections and cancer but have not been shown to be effective in clinical trials for any medical condition. Quercetin as a nutritional supplement is well tolerated and has not been linked to serum enzyme elevations or to episodes of clinically apparent liver injury. Quercetin is a natural product found in Lotus ucrainicus, Visnea mocanera, and other organisms with data available. Quercetin is a polyphenolic flavonoid with potential chemopreventive activity. Quercetin, ubiquitous in plant food sources and a major bioflavonoid in the human diet, may produce antiproliferative effects resulting from the modulation of either EGFR or estrogen-receptor mediated signal transduction pathways. Although the mechanism of action of action is not fully known, the following effects have been described with this agent in vitro: decreased expression of mutant p53 protein and p21-ras oncogene, induction of cell cycle arrest at the G1 phase and inhibition of heat shock protein synthesis. This compound also demonstrates synergy and reversal of the multidrug resistance phenotype, when combined with chemotherapeutic drugs, in vitro. Quercetin also produces anti-inflammatory and anti-allergy effects mediated through the inhibition of the lipoxygenase and cyclooxygenase pathways, thereby preventing the production of pro-inflammatory mediators. Quercetin is a flavonoid widely distributed in many plants and fruits including red grapes, citrus fruit, tomato, broccoli and other leafy green vegetables, and a number of berries, including raspberries and cranberries. Quercetin itself (aglycone quercetin), as opposed to quercetin glycosides, is not a normal dietary component. Quercitin glycosides are converted to phenolic acids as they pass through the gastrointestinal tract. Quercetin has neither been confirmed scientifically as a specific therapeutic for any condition nor been approved by any regulatory agency. The U.S. Food and Drug Administration has not approved any health claims for quercetin. Nevertheless, the interest in dietary flavonoids has grown after the publication of several epidemiological studies showing an inverse correlation between dietary consumption of flavonols and flavones and reduced incidence and mortality from cardiovascular disease and cancer. In recent years, a large amount of experimental and some clinical data have accumulated regarding the effects of flavonoids on the endothelium under physiological and pathological conditions. The meta-analysis of seven prospective cohort studies concluded that the individuals in the top third of dietary flavonol intake are associated with a reduced risk of mortality from coronary heart disease as compared with those in the bottom third, after adju... Quercetin is a flavonoid widely distributed in many plants and fruits including red grapes, citrus fruit, tomato, broccoli and other leafy green vegetables, and a number of berries, including raspberries and cranberries. Quercetin itself (aglycone quercetin), as opposed to quercetin glycosides, is not a normal dietary component. Quercetin glycosides are converted to phenolic acids as they pass through the gastrointestinal tract. Quercetin has neither been confirmed scientifically as a specific therapeutic for any condition nor been approved by any regulatory agency. The U.S. Food and Drug Administration has not approved any health claims for quercetin. Nevertheless, the interest in dietary flavonoids has grown after the publication of several epidemiological studies showing an inverse correlation between dietary consumption of flavonols and flavones and reduced incidence and mortality from cardiovascular disease and cancer. In recent years, a large amount of experimental and some clinical data have accumulated regarding the effects of flavonoids on the endothelium under physiological and pathological conditions. The meta-analysis of seven prospective cohort studies concluded that the individuals in the top third of dietary flavonol intake are associated with a reduced risk of mortality from coronary heart disease as compared with those in the bottom third, after adjustment for known risk factors and other dietary components. A limited number of intervention studies with flavonoids and flavonoid containing foods and extracts has been performed in several pathological conditions (PMID:17015250). Quercetin is isolated from many plants, especially fruits, such as Helichrysum, Euphorbia and Karwinskia spp. Present in the Solanaceae, Rhamnaceae, Passifloraceae and many other families. For example detected in almost all studied Umbelliferae. Nutriceutical with antiinflammatory props. and a positive influence on the blood lipid profile. Found in a wide variety of foods especially apples, bee pollen, blackcurrants, capers, cocoa, cranberries, dock leaves, elderberries, fennel, lovage, red onions, ancho peppers, dill weed and tarragon. A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3-, 4-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D020011 - Protective Agents > D000975 - Antioxidants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4014; ORIGINAL_PRECURSOR_SCAN_NO 4012 INTERNAL_ID 298; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4011; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4019; ORIGINAL_PRECURSOR_SCAN_NO 4018 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4017; ORIGINAL_PRECURSOR_SCAN_NO 4016 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4011; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4096; ORIGINAL_PRECURSOR_SCAN_NO 4094 CONFIDENCE standard compound; INTERNAL_ID 298; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4024; ORIGINAL_PRECURSOR_SCAN_NO 4023 Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CB109_Quercetin_pos_30eV_CB000041.txt IPB_RECORD: 1761; CONFIDENCE confident structure [Raw Data] CB109_Quercetin_pos_10eV_CB000041.txt [Raw Data] CB109_Quercetin_pos_20eV_CB000041.txt [Raw Data] CB109_Quercetin_pos_40eV_CB000041.txt [Raw Data] CB109_Quercetin_pos_50eV_CB000041.txt IPB_RECORD: 161; CONFIDENCE confident structure [Raw Data] CB109_Quercetin_neg_40eV_000027.txt [Raw Data] CB109_Quercetin_neg_50eV_000027.txt [Raw Data] CB109_Quercetin_neg_20eV_000027.txt [Raw Data] CB109_Quercetin_neg_30eV_000027.txt [Raw Data] CB109_Quercetin_neg_10eV_000027.txt CONFIDENCE standard compound; INTERNAL_ID 124 CONFIDENCE standard compound; ML_ID 54 Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
beta-Elemene
(-)-beta-elemene is the (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration. It has a role as an antineoplastic agent. beta-Elemene is a natural product found in Xylopia sericea, Eupatorium cannabinum, and other organisms with data available. Beta-elemene is one of the isomers of elemene, a lipid soluble sesquiterpene and the active component isolated from the Chinese medicinal herb Rhizoma zedoariae with potential antineoplastic and chemopreventive activities. Although the exact mechanism of action through which beta-elemene exerts its effect has yet to be fully elucidated, this agent appears to induce apoptosis through different mechanisms of action and induces cell cycle arrest at different stages based on the tumor cell type involved. Beta-elemene may sensitize cancer cells to other chemotherapeutic agents. See also: Cannabis sativa subsp. indica top (part of). Beta-elemene, also known as B-elemen or 2,4-diisopropenyl-1-methyl-1-vinylcyclohexane, is a member of the class of compounds known as elemane sesquiterpenoids. Elemane sesquiterpenoids are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Beta-elemene is a fresh, herbal, and waxy tasting compound and can be found in a number of food items such as lovage, anise, spearmint, and orange mint, which makes beta-elemene a potential biomarker for the consumption of these food products. Beta-elemene can be found primarily in saliva. beta-Elemene belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. beta-Elemene can be found in herbs, spices, and root vegetables, which makes beta-elemene a potential biomarker for the consumption of these food products. It is a constituent of sweet flag, juniper oils, and Mentha species. β-Elemene ((-)-β-Elemene; Levo-β-elemene) is isolated from natural plant Curcuma aromatica with an antitumor activity. β-Elemene can induce cell apoptosis. β-Elemene ((-)-β-Elemene; Levo-β-elemene) is isolated from natural plant Curcuma aromatica with an antitumor activity. β-Elemene can induce cell apoptosis.
Angustibalin
Angustibalin is a sesquiterpene lactone. Angustibalin is a natural product found in Arnica longifolia and Arnica montana with data available.
Helenalin
Helenalin is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). It has a role as an anti-inflammatory agent, an antineoplastic agent, a plant metabolite and a metabolite. It is a gamma-lactone, a cyclic ketone, an organic heterotricyclic compound, a sesquiterpene lactone and a secondary alcohol. Helenalin is a natural product found in Pentanema britannicum, Psilostrophe cooperi, and other organisms with data available. A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Tenulin
Tenulin is a sesquiterpene lactone. Tenulin is a natural product found in Helenium quadridentatum, Helenium donianum, and Helenium amarum with data available.
microhelenins
Microhelenin C is a sesquiterpene lactone. Microhelenin C is a natural product found in Helenium microcephalum, Helenium donianum, and Arnica acaulis with data available.
Florilenalin
Florilenalin is a sesquiterpene lactone. Florilenalin is a natural product found in Gaillardia pulchella, Hymenoxys odorata, and other organisms with data available.
dinatin
Hispidulin is a natural flavone with a broad spectrum of biological activities. Hispidulin is a Pim-1 inhibitor with an IC50 of 2.71 μM. Hispidulin is a natural flavone with a broad spectrum of biological activities. Hispidulin is a Pim-1 inhibitor with an IC50 of 2.71 μM.
Amaralin
An azulenofuran that is decahydrooxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one substituted by a hydroxy group at position 8, methyl groups at positions 2 and 7a and a methylidene group at position 6.
aromaticin
A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity.
Autumnolide
Plenolin
beta-Selinene
Constituent of celery oiland is) also from Cyperus rotundus (nutgrass) and Humulus lupulus (hops). beta-Selinene is found in many foods, some of which are safflower, star anise, chinese cinnamon, and allspice. beta-Selinene is found in alcoholic beverages. beta-Selinene is a constituent of celery oil. Also from Cyperus rotundus (nutgrass) and Humulus lupulus (hops)
alpha-Selinene
An isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic (2R,4aR,8aR)-configuration..
4-Epiisoinuviscolide
4-Epiisoinuviscolide is found in herbs and spices. 4-Epiisoinuviscolide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 4-Epiisoinuviscolide is found in herbs and spices.
D-Iditol
Permitted bulk sweetener for foods. Sweetening agent. Food additive, used as anticaking agent, lubricant, for stabiliser and thickener, and for other uses in food processing
Helenalin
(Z,Z)-1,8,11-Heptadecatriene
(z,z)-1,8,11-heptadecatriene is a member of the class of compounds known as alkatrienes. Alkatrienes are acyclic hydrocarbons that contain exactly three carbon-to-carbon double bonds (z,z)-1,8,11-heptadecatriene can be found in burdock and safflower, which makes (z,z)-1,8,11-heptadecatriene a potential biomarker for the consumption of these food products.
Hispidulin
Hispidulin is a monomethoxyflavone that is scutellarein methylated at position 6. It has a role as an apoptosis inducer, an anti-inflammatory agent, an antioxidant, an anticonvulsant, an antineoplastic agent and a plant metabolite. It is a trihydroxyflavone and a monomethoxyflavone. It is functionally related to a scutellarein. Hispidulin (4,5,7-trihydroxy-6-methoxyflavone) is a potent benzodiazepine (BZD) receptor ligand with positive allosteric properties. Hispidulin is a natural product found in Eupatorium cannabinum, Eupatorium perfoliatum, and other organisms with data available. See also: Arnica montana Flower (part of). A monomethoxyflavone that is scutellarein methylated at position 6. 6-methylscutellarein, also known as 4,5,7-trihydroxy-6-methoxyflavone or dinatin, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 6-methylscutellarein is considered to be a flavonoid lipid molecule. 6-methylscutellarein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-methylscutellarein can be found in a number of food items such as italian oregano, common sage, sunflower, and common thyme, which makes 6-methylscutellarein a potential biomarker for the consumption of these food products. Hispidulin is a natural flavone with a broad spectrum of biological activities. Hispidulin is a Pim-1 inhibitor with an IC50 of 2.71 μM. Hispidulin is a natural flavone with a broad spectrum of biological activities. Hispidulin is a Pim-1 inhibitor with an IC50 of 2.71 μM.
nepetin
Eupafolin, also known as 6-methoxy 5 or 734-tetrahydroxyflavone, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, eupafolin is considered to be a flavonoid lipid molecule. Eupafolin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eupafolin can be found in common sage, lemon verbena, rosemary, and sesame, which makes eupafolin a potential biomarker for the consumption of these food products. 6-Methoxyluteolin is a natural product found in Eupatorium album, Eupatorium altissimum, and other organisms with data available. See also: Arnica montana Flower (has part). Nepetin (6-Methoxyluteolin) is a natural flavonoid isolated from Eupatorium ballotaefolium HBK with potent anti-inflammatory activities. Nepetin inhibits IL-6, IL-8 and MCP-1 secretion with IC50 values of 4.43 μM, 3.42 μM and 4.17 μM, respectively in ARPE-19 cells[1][2]. Nepetin (6-Methoxyluteolin) is a natural flavonoid isolated from Eupatorium ballotaefolium HBK with potent anti-inflammatory activities. Nepetin inhibits IL-6, IL-8 and MCP-1 secretion with IC50 values of 4.43 μM, 3.42 μM and 4.17 μM, respectively in ARPE-19 cells[1][2].
Jaceosidin
Jaceosidin, also known as 4,5,7-trihydroxy-3,6-dimethoxyflavone, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, jaceosidin is considered to be a flavonoid lipid molecule. Jaceosidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Jaceosidin can be found in lemon verbena, which makes jaceosidin a potential biomarker for the consumption of this food product. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3]. Jaceosidin is a flavonoid isolated from Artemisia vestita, induces apoptosis in cancer cells, activates Bax and down-regulates Mcl-1 and c-FLIP expression[1]. Jaceosidin exhibits anti-cancer[2], anti-inflammatory activities, decreases leves of inflammatory markers, and suppresses COX-2 expression and NF-κB activation[3].
dinatin
Hispidulin is a natural flavone with a broad spectrum of biological activities. Hispidulin is a Pim-1 inhibitor with an IC50 of 2.71 μM. Hispidulin is a natural flavone with a broad spectrum of biological activities. Hispidulin is a Pim-1 inhibitor with an IC50 of 2.71 μM.
Quercetin
Annotation level-1 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials relative retention time with respect to 9-anthracene Carboxylic Acid is 0.898 D020011 - Protective Agents > D000975 - Antioxidants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.902 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 1981; CONFIDENCE confident structure IPB_RECORD: 3301; CONFIDENCE confident structure IPB_RECORD: 3283; CONFIDENCE confident structure Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
4-[3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enal
Bigelovin
Bigelovin is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. It has a role as an apoptosis inducer, an immunomodulator, an antineoplastic agent and a plant metabolite. It is an acetate ester, an organic heterotricyclic compound, a sesquiterpene lactone, a cyclic ketone and a gamma-lactone. Bigelovin is a natural product found in Dittrichia graveolens, Inula hupehensis, and other organisms with data available. A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. Bigelovin, a sesquiterpene lactone isolated from Inula hupehensis, is a selective retinoid X receptor α agonist. Bigelovin suppresses tumor growth through inducing apoptosis and autophagy via the inhibition of mTOR pathway regulated by ROS generation[1].
Scopoletin
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).
4-Epiisoinuviscolide
A sesquiterpene lactone that is 3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, methyl groups at positions 5 and 8 and a methylidene group at position 3 (the 3aR,4aR,5S,7aR,9aS stereoisomer). It has been isolated from the aerial parts of Inula hupehensis.
beta-selinene
An optically active form of beta-selinene having (+)-(4aR,7R,8aS)-configuration.
17066-67-0
Scopoletol
Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).
Quertin
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D020011 - Protective Agents > D000975 - Antioxidants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin, a natural flavonoid, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
(±)-β-Elemene
β-Elemene ((-)-β-Elemene; Levo-β-elemene) is isolated from natural plant Curcuma aromatica with an antitumor activity. β-Elemene can induce cell apoptosis. β-Elemene ((-)-β-Elemene; Levo-β-elemene) is isolated from natural plant Curcuma aromatica with an antitumor activity. β-Elemene can induce cell apoptosis.
(3s,3ar,4ar,5s,6r,7ar,9as)-5,6-dihydroxy-3,5,8-trimethyl-3h,3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3as,4r,4ar,7as,8r,9ar)-4-hydroxy-4a,8-dimethyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
9-hydroxy-4a,8-dimethyl-5-[(3-methylbutanoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-5-methyl-4-oxo-2-(prop-1-en-2-yl)hex-5-en-1-yl]oxy}oxan-2-yl]methyl acetate
(3s,3ar,4ar,5s,6r,9ar)-5-hydroxy-3,5,8-trimethyl-2-oxo-3h,3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-6-yl (2e)-2-methylbut-2-enoate
(3ar,4ar,5r,7s,7ar,9ar)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-7-yl acetate
(3as,4r,4as,5r,7s,7as,8s,9r,9ar)-7-(acetyloxy)-5,9-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
(3s,3ar,4ar,5s,6r,7ar,9ar)-5-hydroxy-3,5,8-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3ar,4ar,5r,7ar,9ar)-5-hydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3ar,4ar,5r,7as,9ar)-5,8-dimethyl-3-methylidene-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(2r,9s,13s)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.0²,⁶.0¹²,¹⁵]pentadec-5-ene-3,11-dione
(3as,4ar,5r,8s,9s,9ar)-5,8,9-trihydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,9h,9ah-azuleno[6,5-b]furan-2-one
2-hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.0³,⁷.0¹¹,¹³]tetradecan-14-yl 2-methylbut-2-enoate
4-(acetyloxy)-5,9-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate
(3ar,4as,9ar)-5,8-dimethyl-3-methylidene-3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
5,8'a-dimethyl-7-(6-methylhept-5-en-2-yl)-5'-methylidene-3'a,4',4'a,6',7',8',9',9'a-octahydrospiro[bicyclo[2.2.2]octane-2,3'-naphtho[2,3-b]fura]-5-en-2'-one
(3as,4r,4ar,5s,7s,7as,8r,9ar)-7-(acetyloxy)-4-hydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-5-yl (2e)-2-methylbut-2-enoate
(2s,6e,9r)-9-(hydroxymethyl)-2,6,10-trimethylundeca-6,10-dienoic acid
9-hydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate
(3ar,4r,4as,5r,7r,7ar,8r,9as)-5,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
(3ar,4ar,7as,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
(3as,4r,4as,5r,7s,7as,8s,9r,9ar)-4-(acetyloxy)-5,9-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylpropanoate
5,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2s,3e)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hex-3-en-1-yl]oxy}oxan-2-yl]methyl acetate
(1r,2r,6s,7s,9r,12r,13r,15r)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.0²,⁶.0¹²,¹⁵]pentadec-4-ene-3,11-dione
3,4a,8-trimethyl-2,5-dioxo-3h,3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl (2e)-2-methylbut-2-enoate
4-[(1r,2s)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enal
(3r,3as,4s,4ar,7ar,8r,9as)-3,4a,8-trimethyl-2,5-dioxo-3h,3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl (2z)-2-methylbut-2-enoate
(3as,4r,4ar,7ar,8r,9ar)-4-hydroxy-4a,8-dimethyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
(1r,2r,7r,9s,12r,13s,15r)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.0²,⁶.0¹²,¹⁵]pentadec-5-ene-3,11-dione
5'-[4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]-5,8a-dimethyl-3',4',5,6,7,8,9,9a-octahydro-3ah-spiro[naphtho[2,3-b]furan-3,2'-pyran]-2-one
4,5-dihydroxy-2-({5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-5-yl}oxy)oxan-3-yl acetate
(2s,6e,9s)-9-(hydroxymethyl)-2,6,10-trimethylundeca-6,10-dienoic acid
(3s,3as,4s,4ar,7ar,8r,9ar)-3,4a,8-trimethyl-2,5-dioxo-3h,3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl (2z)-2-methylbut-2-enoate
5,5',8'a-trimethyl-7-(6-methylhept-5-en-2-yl)-5',6',7',8',9',9'a-hexahydro-3'ah-spiro[bicyclo[2.2.2]octane-2,3'-naphtho[2,3-b]fura]-5-en-2'-one
5,6-dihydroxy-4a,8-dimethyl-3-methylidene-octahydro-3ah-azuleno[6,5-b]furan-2-one
(3ar,4as,5r,7s,7as,8r,9as)-5-(acetyloxy)-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl acetate
14-hydroxy-1,9-dimethyl-4-methylidene-6,12-dioxatetracyclo[8.4.0.0³,⁷.0¹¹,¹³]tetradecan-5-one
(3ar,4ar,5r,7ar,9ar)-5,8-dimethyl-3-methylidene-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3r,3as,5s,8ar,9ar)-5'-[(2s,4as,8as)-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]-5,8a-dimethyl-3',4',5,6,7,8,9,9a-octahydro-3ah-spiro[naphtho[2,3-b]furan-3,2'-pyran]-2-one
(3s,3ar,4ar,5s,6r,9as)-5-hydroxy-3,5,8-trimethyl-2,9-dioxo-3h,3ah,4h,4ah,6h,7h,9ah-azuleno[6,5-b]furan-6-yl (2z)-2-methylbut-2-enoate
(3as,4ar,5s,8r,9r,9ar)-5,8,9-trihydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,9h,9ah-azuleno[6,5-b]furan-2-one
(4s,4ar,7ar,8r,9ar)-4-hydroxy-3,4a,8-trimethyl-4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
5,8-dimethyl-3-methylidene-3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3e)-5-methyl-2-(prop-1-en-2-yl)hexa-3,5-dien-1-yl]oxy}oxan-2-yl]methyl acetate
5-hydroxy-3,5,8-trimethyl-2,9-dioxo-3h,3ah,4h,4ah,6h,7h,9ah-azuleno[6,5-b]furan-6-yl 2-methylbut-2-enoate
[(2r,3s,4s,5r,6s)-6-{[(3ar,4ar,5r,7ar,9ar)-5,8-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(3ar,4ar,5s,6r,7ar,9as)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3as,4r,4ar,5r,7s,7as,8r,9as)-5-(acetyloxy)-4-hydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl acetate
(2s,3r,4s,5s)-2-{[(3ar,4ar,5r,7as,9ar)-5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-5-yl]oxy}-4,5-dihydroxyoxan-3-yl acetate
(3s,3ar,4ar,5r,7s,7as,9ar)-5,7-dihydroxy-3,5-dimethyl-8-methylidene-octahydro-3h-azuleno[6,5-b]furan-2-one
3,4a,8-trimethyl-2,5-dioxo-3h,3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl acetate
(3ar,4s,4ar,8r,9ar)-4-hydroxy-4a,8-dimethyl-3-methylidene-3ah,4h,6h,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
5'-(4a-methyl-8-methylidene-octahydronaphthalen-2-yl)-5,8a-dimethyl-3',4',5,6,7,8,9,9a-octahydro-3ah-spiro[naphtho[2,3-b]furan-3,2'-pyran]-2-one
4a,8-dimethyl-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl acetate
(1r,3ar,5as,6s,7s,9ar,9bs,11as)-6,9a,11a-trimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(3as,4r,4ar,5r,7s,7as,8s,9r,9ar)-4,9-dihydroxy-4a,8-dimethyl-5-[(3-methylbutanoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl (2z)-2-methylbut-2-enoate
(3ar,4ar,5s,6r,9as)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3r,3as,4s,4ar,7ar,8r,9ar)-4-hydroxy-3-(methanesulfonylmethyl)-4a,8-dimethyl-3h,3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
C16H22O6S (342.11370320000003)