Subcellular Location: Wnt-Frizzled-LRP5/6 complex

Found 130 associated metabolites.

4 associated genes. FZD8, LRP5, LRP6, WNT3A

(-)-Arctiin

(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one

C27H34O11 (534.2101)


Natural compounds from herbs are recognized as an important source of therapeutic agents. Seeking for natural products with high selectivity and less side effects merits considerable efforts. Arctium lappa, also known as burdock, is widely consumed in East Asia, Europe and America to promote well-being for hundreds of years. In Chinese traditional medicine, Arctium lappa (mainly roots, and, to a less extend, seeds and leaves) is an important herbal medicinal preparation. It is commonly used for alleviating symptoms of inflammatory disorders, such as anemopyretic cold, cough, measles, urticaria and furuncle (Shin et al., 2015; Zhao et al., 2009). In addition, Arctium lappa is applied to treat various skin disorders including eczema and acne (Chan et al., 2011; Miglani and Manchanda, 2014). Lignans are the most characteristic phytoconstituents of Arctium lappa. Among them, ATG (Formula:C21H24O6; PubChem CID:64,981) and its glycoside, arctiin are the major bioactive compounds (Fig. 1). ATG, rich in roots and seeds of Arctium lappa, has attracted a great deal of attention due to its prominent therapeutic potential. It possesses many biological activities such as anti-oxidative stress (Lü et al., 2016), anti-cancer (He et al., 2018; Shabgah et al., 2021), anti-virus (Gao et al., 2018a) and anti-inflammation (Hyam et al., 2013; Zhao et al., 2009). Significant curative effects of ATG have been demonstrated on a wide range of human diseases including cancers, autoimmune disorders, chronic diseases, viral infections and other health concerns. The bioactivity of ATG largely depend on its chemical structure. For instance, the chiral carbon atom in the lactone ring is essential for the anti-tumor effect of ATG as (–)-arctigenin exhibits greater tumor suppression effect than (+)-arctigenin (Awale et al., 2014). Furthermore, the dibenzyl butyrolactone is key for the interactions between ATG and proteins. (-)-arctiin is a member of the class of compounds known as lignan glycosides. Lignan glycosides are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones (-)-arctiin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-arctiin can be found in burdock, which makes (-)-arctiin a potential biomarker for the consumption of this food product. Arctiin is a glycoside and a lignan. Arctiin is a natural product found in Abeliophyllum distichum, Forsythia suspensa, and other organisms with data available. Arctiin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=20362-31-6 (retrieved 2024-06-28) (CAS RN: 20362-31-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer activity. Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer 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 (952.0818)


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.

   

Decursin

CROTONIC ACID, 3-METHYL-, ESTER WITH 7,8-DIHYDRO-7-HYDROXY-8,8-DIMETHYL-2H,6H-BENZO(1,2-B:5,4-B)DIPYRAN-2-ONE, (+)-

C19H20O5 (328.1311)


Decursin is a member of coumarins. Decursin is a natural product found in Scutellaria lateriflora, Angelica glauca, and other organisms with data available. See also: Angelica gigas root (part of). D020536 - Enzyme Activators Decursinol angelate is a natural product found in Angelica glauca and Angelica gigas with data available. See also: Angelica gigas root (part of). Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].

   

Alizarina

1,2-dihydroxyanthracene-9,10-dione

C14H8O4 (240.0423)


Alizarin is a dihydroxyanthraquinone that is anthracene-9,10-dione in which the two hydroxy groups are located at positions 1 and 2. It has a role as a chromophore, a dye and a plant metabolite. Alizarin has been reported in Rubia lanceolata, Rubia argyi COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8028 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Alizarin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=72-48-0 (retrieved 2024-12-18) (CAS RN: 72-48-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Narirutin

(S)-5-hydroxy-2-(4-hydroxyphenyl)-7-(((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)chroman-4-one

C27H32O14 (580.1792)


Narirutin is a disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an anti-inflammatory agent, an antioxidant and a metabolite. It is a disaccharide derivative, a dihydroxyflavanone, a member of 4-hydroxyflavanones, a (2S)-flavan-4-one and a rutinoside. It is functionally related to a (S)-naringenin. Narirutin is a natural product found in Cyclopia subternata, Citrus latipes, and other organisms with data available. See also: Tangerine peel (part of). obtained from Camellia sinensis (tea). Narirutin is found in many foods, some of which are lemon, globe artichoke, grapefruit, and grapefruit/pummelo hybrid. Narirutin is found in globe artichoke. Narirutin is obtained from Camellia sinensis (tea Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2]. Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2].

   

Lycorine

1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 2,4,5,7,12b,12c-hexahydro-, (1S,2S,12bS,12cS)-

C16H17NO4 (287.1158)


Lycorine is an indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. It has a role as a protein synthesis inhibitor, an antimalarial, a plant metabolite and an anticoronaviral agent. It derives from a hydride of a galanthan. Lycorine is a natural product found in Sternbergia clusiana, Pancratium trianthum, and other organisms with data available. Lycorine is a toxic crystalline alkaloid found in various Amaryllidaceae species, such as the cultivated bush lily (Clivia miniata), surprise lilies (Lycoris), and daffodils (Narcissus). It may be highly poisonous, or even lethal, when ingested in certain quantities. Symptoms of lycorine toxicity are vomiting, diarrhea, and convulsions. Lycorine, definition at mercksource.com Regardless, it is sometimes used medicinally, a reason why some groups may harvest the very popular Clivia miniata. An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.144 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.136 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.138 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2316 INTERNAL_ID 2316; CONFIDENCE Reference Standard (Level 1) [Raw Data] CBA60_Lycorine_pos_30eV.txt [Raw Data] CBA60_Lycorine_pos_10eV.txt [Raw Data] CBA60_Lycorine_pos_50eV.txt [Raw Data] CBA60_Lycorine_pos_40eV.txt [Raw Data] CBA60_Lycorine_pos_20eV.txt Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2].
Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2].
Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2].

   

Leonurine

Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester

C14H21N3O5 (311.1481)


Leonurine is a trihydroxybenzoic acid. Leonurine is a natural product found in Leonotis leonurus and Leonurus sibiricus with data available. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory.

   

Pachymic_acid

LANOST-8-EN-21-OIC ACID, 3-(ACETYLOXY)-16-HYDROXY-24-METHYLENE-, (3.BETA.,16.ALPHA.)-

C33H52O5 (528.3815)


Pachymic acid is a triterpenoid. Pachymic acid is a natural product found in Rhodofomitopsis feei, Rhodofomitopsis lilacinogilva, and other organisms with data available. See also: Smilax china root (part of). D004791 - Enzyme Inhibitors > D064801 - Phospholipase A2 Inhibitors Pachymic acid is a lanostrane-type triterpenoid from P. cocos. Pachymic acid inhibits Akt and ERK signaling pathways. Pachymic acid is a lanostrane-type triterpenoid from P. cocos. Pachymic acid inhibits Akt and ERK signaling pathways. Pachymic acid is a lanostrane-type triterpenoid from P. cocos. Pachymic acid inhibits Akt and ERK signaling pathways.

   

Salidroside

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol

C14H20O7 (300.1209)


Salidroside is a glycoside. Salidroside is a natural product found in Plantago australis, Plantago coronopus, and other organisms with data available. See also: Sedum roseum root (part of); Rhodiola crenulata root (part of). Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy. Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy.

   

Acetylshikonin

InChI=1/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3

C18H18O6 (330.1103)


Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. Acetylshikonin is a natural product found in Echium plantagineum, Lithospermum erythrorhizon, and other organisms with data available. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3]. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].

   

Aloin

(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10H-anthracen-9-one;Aloin

C21H22O9 (418.1264)


C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D005765 - Gastrointestinal Agents > D002400 - Cathartics Aloin A is a C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9S diastereoisomer). It has a role as a metabolite and a laxative. It is a C-glycosyl compound, a member of anthracenes, a cyclic ketone and a member of phenols. Barbaloin is a natural product found in Aloe africana, Aloe castanea, and other organisms with data available. See also: Aloe Vera Leaf (part of); Frangula purshiana Bark (part of). A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9S diastereoisomer). Aloin B is a C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9R diastereoisomer). It has a role as a metabolite and a laxative. It is a C-glycosyl compound, a member of anthracenes, a cyclic ketone and a member of phenols. Aloin is a natural product found in Aloe africana, Aloe castanea, and other organisms with data available. See also: Aloe Vera Leaf (part of); Frangula purshiana Bark (part of). A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9R diastereoisomer). IPB_RECORD: 1881; CONFIDENCE confident structure Aloin (Aloin-A; Barbaloin-A) is a natural anti-tumor anthraquinone glycoside with iron chelating activity. Aloin (Aloin-A; Barbaloin-A) is a natural anti-tumor anthraquinone glycoside with iron chelating activity. Aloin B is an isomer of aloin, a physiologically active anthraquinone compound in aloe. Aloin B is an isomer of aloin, a physiologically active anthraquinone compound in aloe. Aloin (mixture of A&B) is anthraquinone derivative isolated from Aloe vera. Aloin (mixture of A&B) has diverse biological activities such as anti-inflammatory, immunity, antidiabetic, antioxidant, antibacterial, antifungal, and antitumor activities. Aloin (mixture of A&B) also an effective inhibitor of stimulated granulocyte matrix metalloproteinases (MMPs)[1][2].

   

Prostratin

5H-CYCLOPROPA(3,4)BENZ(1,2-E)AZULEN-5-ONE, 9A-(ACETYLOXY)-1,1A,1B,4,4A,7A,7B,8,9,9A-DECAHYDRO-4A,7B-DIHYDROXY-3-(HYDROXYMETHYL)-1,1,6,8-TETRAMETHYL-, (1AR-(1A.ALPHA.,1B.BETA.,4A.BETA.,7A.ALPHA.,7B.ALPHA.,8.ALPHA.,9A.ALPHA.))-

C22H30O6 (390.2042)


Prostratin is a phorbol ester. It has a role as a metabolite. Prostratin is a natural product found in Euphorbia fischeriana, Euphorbia triangularis, and other organisms with data available. D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters A natural product found in Euphorbia fischeriana.

   

Cymarin

(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

C30H44O9 (548.2985)


Cymarin is a cardenolide glycoside. Cymarin is a natural product found in Apocynum cannabinum, Adonis amurensis, and other organisms with data available. A cardiotonic cardiac glycoside found in STROPHANTHUS. The aglycone is STROPHANTHIN. C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

Cirsilineol

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-

C18H16O7 (344.0896)


Cirsilineol, also known as 4,5-dihydroxy-3,6,7-trimethoxy-flavone or anisomelin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, cirsilineol is considered to be a flavonoid lipid molecule. Cirsilineol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cirsilineol can be found in a number of food items such as common thyme, tarragon, common sage, and hyssop, which makes cirsilineol a potential biomarker for the consumption of these food products. Cirsilineol is a bioactive flavone isolated from Artemisia and from Teucrium gnaphalodes . Cirsilineol is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3 and hydroxy groups at positions 5 and 4 respectively. It has a role as a plant metabolite and an antineoplastic agent. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a flavone. Cirsilineol is a natural product found in Thymus herba-barona, Salvia tomentosa, and other organisms with data available. See also: Tangerine peel (part of).

   

Aloesin

2-acetonyl-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one

C19H22O9 (394.1264)


Aloesin is a member of chromones. Aloesin is a natural product found in Aloe africana, Aloe castanea, and other organisms with data available.

   

Paraxanthine

3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione

C7H8N4O2 (180.0647)


Paraxanthine, also known as p-xanthine, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Paraxanthine exists in all living organisms, ranging from bacteria to humans. Within humans, paraxanthine participates in a number of enzymatic reactions. In particular, paraxanthine and formaldehyde can be biosynthesized from caffeine; which is catalyzed by the enzyme cytochrome P450 1A2. In addition, paraxanthine and acetyl-CoA can be converted into 5-acetylamino-6-formylamino-3-methyluracil through its interaction with the enzyme arylamine N-acetyltransferase 2. In humans, paraxanthine is involved in caffeine metabolism. 1,7-dimethylxanthine (paraxanthine) is the preferential path of caffeine metabolism in humans. Acquisition and generation of the data is financially supported in part by CREST/JST. Paraxanthine, a caffeine metabolite, provides protection against Dopaminergic cell death via stimulation of Ryanodine Receptor Channels.

   

Nandrolone

(1S,2R,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one

C18H26O2 (274.1933)


Nandrolone is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone, but it has one less carbon atom at the 19 position (Pubchem). Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone is most commonly sold commercially as its decanoate ester (Deca-Durabolin) and less commonly as a phenylpropionate ester (Durabolin). Nandrolone use is indirectly detectable in urine tests by testing for the presence of 19-norandrosterone, a metabolism product of this molecule. The International Olympic Committee has set a limit of 2 ng per ml of urine as the upper limit, beyond which an athlete is suspected of doping (Wikipedia). Nandrolone is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. -- Pubchem; Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone is most commonly sold commercially as its decanoate ester (Deca-Durabolin) and less commonly as a phenylpropionate ester (Durabolin). Nandrolone use is indirectly detectable in urine tests by testing for the presence of 19-norandrosterone, a metabolism product of this molecule. The International Olympic Committee has set a limit of 2 ng per ml of urine as the upper limit, beyond which an athlete is suspected of doping. -- Wikipedia [HMDB] A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid S - Sensory organs > S01 - Ophthalmologicals

   

cathinone

2-Aminopropiophenone

C9H11NO (149.0841)


D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant The S stereoisomer of 2-aminopropiophenone.

   

Hexaconazole

Pesticide6_Hexaconazole_C14H17Cl2N3O_2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol

C14H17Cl2N3O (313.0749)


CONFIDENCE standard compound; INTERNAL_ID 1269; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9950; ORIGINAL_PRECURSOR_SCAN_NO 9948 CONFIDENCE standard compound; INTERNAL_ID 1269; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9938; ORIGINAL_PRECURSOR_SCAN_NO 9937 CONFIDENCE standard compound; INTERNAL_ID 1269; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9900; ORIGINAL_PRECURSOR_SCAN_NO 9899 CONFIDENCE standard compound; INTERNAL_ID 1269; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9947; ORIGINAL_PRECURSOR_SCAN_NO 9942 CONFIDENCE standard compound; INTERNAL_ID 1269; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9912; ORIGINAL_PRECURSOR_SCAN_NO 9911 CONFIDENCE standard compound; INTERNAL_ID 1269; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9988; ORIGINAL_PRECURSOR_SCAN_NO 9986

   

dGDP

[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

C10H15N5O10P2 (427.0294)


dGDP is a derivative of the common nucleic acid GTP, or guanosine triphosphate, in which the -OH (hydroxyl) group on the 2 carbon on the nucleotides pentose has been removed (hence the deoxy- part of the name). Additionally, the diphosphate of the name indicates that one of the phosphoryl groups of GTP has been removed, most likely by hydrolysis . [HMDB]. dGDP is found in many foods, some of which are tea, black chokeberry, european plum, and roman camomile. dGDP is a derivative of the common nucleic acid GTP, or guanosine triphosphate, in which the -OH (hydroxyl) group on the 2 carbon on the nucleotides pentose has been removed (hence the deoxy- part of the name). Additionally, the diphosphate of the name indicates that one of the phosphoryl groups of GTP has been removed, most likely by hydrolysis (Wikipedia). Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Palmitoleic acid

cis-Delta(9)-Hexadecenoic acid

C16H30O2 (254.2246)


Cis-9-palmitoleic acid, also known as palmitoleate or (Z)-9-hexadecenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, cis-9-palmitoleic acid is considered to be a fatty acid lipid molecule. Cis-9-palmitoleic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-9-palmitoleic acid can be found in a number of food items such as mixed nuts, carrot, hedge mustard, and chanterelle, which makes cis-9-palmitoleic acid a potential biomarker for the consumption of these food products. Cis-9-palmitoleic acid can be found primarily in most biofluids, including urine, blood, saliva, and feces, as well as in human adipose tissue, prostate and skeletal muscle tissues. Cis-9-palmitoleic acid exists in all living species, ranging from bacteria to humans. Moreover, cis-9-palmitoleic acid is found to be associated with isovaleric acidemia. Palmitoleic acid, or (9Z)-hexadec-9-enoic acid, is an omega-7 monounsaturated fatty acid (16:1n-7) with the formula CH3(CH2)5CH=CH(CH2)7COOH that is a common constituent of the glycerides of human adipose tissue. Present in all tissues, it is generally found in higher concentrations in the liver. Macadamia oil (Macadamia integrifolia) and sea buckthorn oil (Hippophae rhamnoides) are botanical sources of palmitoleic acid, containing 22 and 40\\\\\% respectively. Palmitoleic acid is found to be associated with isovaleric acidemia, which is an inborn error of metabolism. Palmitoleic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=373-49-9 (retrieved 2024-07-15) (CAS RN: 373-49-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.

   

Deoxyguanosine

2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one

C10H13N5O4 (267.0967)


Deoxyguanosine, also known as dG, belongs to the class of organic compounds known as purine 2-deoxyribonucleosides. Purine 2-deoxyribonucleosides are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2‚Äô. Deoxyguanosine is a nucleoside consisting of the base guanine and the sugar deoxyribose. Deoxyguanosine is one of the four deoxyribonucleosides that make up DNA. Deoxyguanosine exists in all living species, ranging from bacteria to plants to humans. Deoxyguanosine participates in a number of enzymatic reactions. In particular, deoxyguanosine can be biosynthesized from 2-deoxyguanosine 5-monophosphate through the enzyme known as cytosolic purine 5-nucleotidase. In addition, deoxyguanosine can be converted into 2-deoxyguanosine 5-monophosphate (dGMP); which is mediated by the enzyme deoxyguanosine kinase. Deoxyguanosine is involved in the rare, inherited metabolic disorder called the purine nucleoside phosphorylase deficiency (PNP deficiency). In particular PNP deficiency is characterized by elevated levels of dGTP (deoxyguanosine triphosphate). PNP accounts for approximately 4\\\\% of patients with severe combined immunodeficiency (PMID: 1931007). PNP-deficient patients suffer from recurrent infections, usually beginning in the first year of life. Two thirds of patients have evidence of neurologic disorders with spasticity, developmental delay and mental retardation. Deoxyguanosine can be converted to 8-hydroxy-deoxyguanosine (8-OHdG) due to hydroxyl radical attack at the C8 of guanine. 8-hydroxy-deoxyguanosine is a sensitive marker of the DNA damage This damage, if left unrepaired, has been proposed to contribute to mutagenicity and cancer promotion. Isolated from plants, e.g. Phaseolus vulgaris (kidney bean) COVID info from COVID-19 Disease Map KEIO_ID D057; [MS2] KO008942 KEIO_ID D057 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-Deoxyguanosine (Deoxyguanosine) is a purine nucleoside with a variety of biological activities. 2’-Deoxyguanosine can induce DNA division in mouse thymus cells. 2’-Deoxyguanosine is a potent cell division inhibitor in plant cells[1][2][3]. 2'-Deoxyguanosine (Deoxyguanosine) is deoxyguanosine.

   

Lawsone

4-08-00-02360 (Beilstein Handbook Reference)

C10H6O3 (174.0317)


2-hydroxy-1,4-naphthoquinone appears as yellow prisms or yellow powder. (NTP, 1992) Lawsone is 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. It has a role as a protective agent and an antifungal agent. It is a tautomer of a naphthalene-1,2,4-trione. 2-Hydroxy-1,4-naphthoquinone is a natural product found in Impatiens noli-tangere, Lawsonia inermis, and other organisms with data available. D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents D003358 - Cosmetics Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1]. Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1].

   

Alfentanil

N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide

C21H32N6O3 (416.2536)


A short-acting opioid anesthetic and analgesic derivative of fentanyl. It produces an early peak analgesic effect and fast recovery of consciousness. Alfentanil is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients. [PubChem] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AH - Opioid anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Methazolamide

N-[(2Z)-3-Methyl-5-sulphamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]acetamide

C5H8N4O3S2 (236.0038)


Methazolamide is only found in individuals that have used or taken this drug. It is a potent carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma. [PubChem]Inhibition of carbonic anhydrase in the ciliary processes of the eye decreases aqueous humor secretion, presumably by slowing the formation of bicarbonate ions with subsequent reduction in sodium and fluid transport. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics

   

Diethylhexyl adipate

Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester

C22H42O4 (370.3083)


Diethylhexyl adipate (DEHA) is an indirect food additive arising from contact with polymers and adhesives. DEHA is a plasticizer. DEHA is an ester of 2-ethylhexanol and adipic acid. Its chemical formula is C22H42O4. Indirect food additive arising from contact with polymers and adhesives

   

Estazolam

12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaene

C16H11ClN4 (294.0672)


Estazolam is only found in individuals that have used or taken this drug. It is a benzodiazepine with anticonvulsant, hypnotic, and muscle relaxant properties. It has been shown in some cases to be more potent than diazepam or nitrazepam. [PubChem]Benzodiazepines bind nonspecifically to benzodiazepine receptors, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

Azinphos-methyl

O,O-dimethyl {[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]sulfanyl}phosphonothioate

C10H12N3O3PS2 (317.0058)


D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3655 CONFIDENCE standard compound; INTERNAL_ID 8473 CONFIDENCE standard compound; INTERNAL_ID 2601 D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D004791 - Enzyme Inhibitors D016573 - Agrochemicals

   

Helixin C

(2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid

C40H68O11 (724.4761)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D049990 - Membrane Transport Modulators D007476 - Ionophores

   

Tizanidine

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

C9H8ClN5S (253.0189)


Tizanidine is a short-acting drug for the management of spasticity. Tizanidine is an agonist at a2-adrenergic receptor sites and presumably reduces spasticity by increasing presynaptic inhibition of motor neurons. In animal models, tizanidine has no direct effect on skeletal muscle fibers or the neuromuscular junction, and no major effect on monosynaptic spinal reflexes. The effects of tizanidine are greatest on polysynaptic pathways. The overall effect of these actions is thought to reduce facilitation of spinal motor neurons. Tizanidine has two major metabolites: (1) 5-chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiazdiazole and (2) 5-chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiadiazole (PMID: 9929503, 19961320). M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics Tizanidine is an α2-adrenergic receptor agonist and inhibits neurotransmitter release from CNS noradrenergic neurons. Target: α2-adrenergic receptor Tizanidine is a drug that is used as a muscle relaxant. It is a centrally acting α2 adrenergic agonist. It is used to treat the spasms, cramping, and tightness of muscles caused by medical problems such as multiple sclerosis, ALS, spastic diplegia, back pain, or certain other injuries to the spine or central nervous system. It is also prescribed off-label for migraine headaches, as a sleep aid, and as an anticonvulsant. It is also prescribed for some symptoms of fibromyalgia. Tizanidine has been found to be as effective as other antispasmodic drugs and has superior tolerability to that of baclofen and diazepam. Tizanidine can be very strong even at the 2 mg dose and may cause hypotension, so caution is advised when it is used in patients who have a history of orthostatic hypotension, or when switching from gel cap to tablet form and vice versa. Tizanidine can occasionally cause liver damage, generally the hepatocellular type. Clinical trials show that up to 5\% of patients treated with tizanidine had elevated liver function test values, though symptoms disappeared upon withdrawal of the drug. Care should be used when first beginning treatment with tizanidine with regular liver tests for the first 6 months of treatment.

   

Salinomycin

AKOS032949878

C42H70O11 (750.4918)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Same as: D08502

   

Asiaticoside

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C48H78O19 (958.5137)


Constituent of Centella asiatica (Asiatic pennywort). Asiaticoside is found in herbs and spices and green vegetables. Asiaticoside is found in green vegetables. Asiaticoside is a constituent of Centella asiatica (Asiatic pennywort) D000890 - Anti-Infective Agents Same as: D07576 Asiaticoside, a trisaccaride triterpene from Centella asiatica, suppresses TGF-β/Smad signaling through inducing Smad7 and inhibiting TGF-βRI and TGF-βRII in keloid fibroblasts; Asiaticoside shows antioxidant, anti-inflammatory, and anti-ulcer properties. Asiaticoside, a trisaccaride triterpene from Centella asiatica, suppresses TGF-β/Smad signaling through inducing Smad7 and inhibiting TGF-βRI and TGF-βRII in keloid fibroblasts; Asiaticoside shows antioxidant, anti-inflammatory, and anti-ulcer properties.

   

Ethylene thiourea

4,5-dihydro-1H-imidazole-2-thiol

C3H6N2S (102.0252)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 271 CONFIDENCE standard compound; INTERNAL_ID 8704

   

Ginkgolide C

8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione

C20H24O11 (440.1319)


Ginkgolide C is found in fats and oils. Ginkgolide C is a bitter principle from Ginkgo biloba (ginkgo). Bitter principle from Ginkgo biloba (ginkgo). Ginkgolide C is found in ginkgo nuts and fats and oils. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.

   

1-Naphthylamine

alpha-Aminonaphthalene

C10H9N (143.0735)


CONFIDENCE standard compound; INTERNAL_ID 8002 D009676 - Noxae > D002273 - Carcinogens

   

Hexachlorophene

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol

C13H6Cl6O2 (403.8499)


A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797) CONFIDENCE standard compound; INTERNAL_ID 1307; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5466; ORIGINAL_PRECURSOR_SCAN_NO 5464 CONFIDENCE standard compound; INTERNAL_ID 1307; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5477; ORIGINAL_PRECURSOR_SCAN_NO 5475 CONFIDENCE standard compound; INTERNAL_ID 1307; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5465; ORIGINAL_PRECURSOR_SCAN_NO 5464 CONFIDENCE standard compound; INTERNAL_ID 1307; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5448; ORIGINAL_PRECURSOR_SCAN_NO 5447 CONFIDENCE standard compound; INTERNAL_ID 1307; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5472; ORIGINAL_PRECURSOR_SCAN_NO 5470 CONFIDENCE standard compound; INTERNAL_ID 1307; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5445; ORIGINAL_PRECURSOR_SCAN_NO 5443 D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8355 D000890 - Anti-Infective Agents

   

Brucine

(8ξ,12ξ)-2,3-dimethoxystrychnidin-10-one

C23H26N2O4 (394.1892)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D007155 - Immunologic Factors CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2329 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.545 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.540 ORIGINAL_ACQUISITION_NO 5860; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_PRECURSOR_SCAN_NO 5859 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5850; ORIGINAL_PRECURSOR_SCAN_NO 5847 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5870; ORIGINAL_PRECURSOR_SCAN_NO 5868 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5860; ORIGINAL_PRECURSOR_SCAN_NO 5859 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5841; ORIGINAL_PRECURSOR_SCAN_NO 5839 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5876; ORIGINAL_PRECURSOR_SCAN_NO 5873 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5855; ORIGINAL_PRECURSOR_SCAN_NO 5853 [Raw Data] CBA35_Brucine_pos_40eV_1-3_01_1629.txt [Raw Data] CBA35_Brucine_pos_10eV_1-3_01_1618.txt [Raw Data] CBA35_Brucine_pos_30eV_1-3_01_1628.txt [Raw Data] CBA35_Brucine_pos_20eV_1-3_01_1627.txt [Raw Data] CBA35_Brucine_pos_50eV_1-3_01_1630.txt

   

2-Acetylaminofluorene

N-(9H-fluoren-2-yl)ethanimidic acid

C15H13NO (223.0997)


D009676 - Noxae > D002273 - Carcinogens

   

Nalpha-Methylhistidine

Nalpha-Methylhistidine

C7H11N3O2 (169.0851)


   

Aloin

(R)-1,8-Dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]anthracen-9(10H)-one

C21H22O9 (418.1264)


Aloin is a constituent of various Aloe species Aloin extracted from natural sources is a mixture of two diastereomers, termed aloin A (also called barbaloin) and aloin B (or isobarbaloin), which have similar chemical properties. Aloin is an anthraquinone glycoside, meaning that its anthraquinone skeleton has been modified by the addition of a sugar molecule. Anthraquinones are a common family of naturally occurring yellow, orange, and red pigments of which many have cathartic properties, attributes shared by aloin. Aloin is related to aloe emodin, which lacks a sugar group but shares aloins biological properties. Aloin, also known as Barbaloin [Reynolds, Aloes - The genus Aloe, 2004], is a bitter, yellow-brown colored compound noted in the exudate of at least 68 Aloe species at levels from 0.1 to 6.6\\\\\% of leaf dry weight (making between 3\\\\\% and 35\\\\\% of the toal exudate) (Groom & Reynolds, 1987), and in another 17 species at indeterminate levels [Reynolds, 1995b]. It is used as a stimulant-laxative, treating constipation by inducing bowel movements. The compound is present in what is commonly referred to as the aloe latex that exudes from cells adjacent to the vascular bundles, found under the rind of the leaf and in between it and the gel. When dried, it has been used as a bittering agent in commerce (alcoholic beverages) [21 CFR 172.510. Scientific names given include Aloe perryi, A. barbadensis (= A. vera), A. ferox, and hybrids of A. ferox with A. africana and A. spicata.]. Aloe is listed in federal regulations as a natural substance that may be safely used in food when used in the minimum quantity required to produce their intended physical or technical effect and in accordance with all the principles of good manufacturing practice. This food application is generally limited to use in quite small quantities as a flavoring in alcoholic beverages and may usually be identified only as a natural flavor. ; In May 2002, the U.S. Aloin is a food and Drug Administration (FDA) issued a ruling that aloe laxatives are no longer generally recognized as safe (GRAS) and effective, meaning that aloin-containing products are no longer available in over-the-counter drug products in the United States. Aloe vera leaf latex is a concentrate of an herb or other botanical, and so meets the statutory description of an ingredient that may be used in dietary supplements Aloin A is a natural product found in Aloe arborescens with data available. D005765 - Gastrointestinal Agents > D002400 - Cathartics Constituent of various Aloe subspecies CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1 INTERNAL_ID 1; CONFIDENCE Reference Standard (Level 1) Aloin (Aloin-A; Barbaloin-A) is a natural anti-tumor anthraquinone glycoside with iron chelating activity. Aloin (Aloin-A; Barbaloin-A) is a natural anti-tumor anthraquinone glycoside with iron chelating activity. Aloin (mixture of A&B) is anthraquinone derivative isolated from Aloe vera. Aloin (mixture of A&B) has diverse biological activities such as anti-inflammatory, immunity, antidiabetic, antioxidant, antibacterial, antifungal, and antitumor activities. Aloin (mixture of A&B) also an effective inhibitor of stimulated granulocyte matrix metalloproteinases (MMPs)[1][2].

   

Aminomethylphosphonic acid

aminomethylphosphonic acid

CH6NO3P (111.0085)


Aminomethylphosphonic acid, also known as AMPA, belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid. Based on a literature review a significant number of articles have been published on Aminomethylphosphonic acid. (aminomethyl)phosphonic acid is a member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate. It is a one-carbon compound and a member of phosphonic acids. It is functionally related to a phosphonic acid. It is a conjugate acid of an (aminomethyl)phosphonate(1-). (Aminomethyl)phosphonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1066-51-9 (retrieved 2024-10-30) (CAS RN: 1066-51-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Chrysophanol

1,8-DIHYDROXY-3-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE

C15H10O4 (254.0579)


Chrysophanic acid appears as golden yellow plates or brown powder. Melting point 196 °C. Slightly soluble in water. Pale yellow aqueous solutions turn red on addition of alkali. Solutions in concentrated sulfuric acid are red. (NTP, 1992) Chrysophanol is a trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. It has a role as an antiviral agent, an anti-inflammatory agent and a plant metabolite. It is functionally related to a chrysazin. Chrysophanol is a natural product found in Rumex dentatus, Ageratina altissima, and other organisms with data available. See also: Frangula purshiana Bark (part of). A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. Constituent of Rumex, Rheum subspecies Chrysophanol is found in dock, garden rhubarb, and sorrel. Chrysophanol is found in dock. Chrysophanol is a constituent of Rumex, Rheum species D009676 - Noxae > D009153 - Mutagens Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K. Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K.

   

Sennoside A

(9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-yl]-4-hydroxy-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acid

C42H38O20 (862.1956)


Senna (powdered) is a yellow-brown powder with a slight odor and taste. (NTP, 1992) Sennoside A is a member of the class of sennosides that is rel-(9R,9R)-9,9,10,10-tetrahydro-9,9-bianthracene-2,2-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4, by beta-D-glucopyranosyloxy groups at positions 5 and 5, and by oxo groups at positions 10 and 10. The exact stereochemisty at positions 9 and 9 is not known - it may be R,R (as shown) or S,S. It is a member of sennosides and an oxo dicarboxylic acid. Senna (Cassia species) is a popular herbal laxative that is available without prescription. Senna is generally safe and well tolerated, but can cause adverse events including clinically apparent liver injury when used in high doses for longer than recommended periods. Sennoside A is a natural product found in Rheum officinale, Rheum palmatum, and other organisms with data available. Preparations of SENNA PLANT. They contain sennosides, which are anthraquinone type CATHARTICS and are used in many different preparations as laxatives. A member of the class of sennosides that is rel-(9R,9R)-9,9,10,10-tetrahydro-9,9-bianthracene-2,2-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4, by beta-D-glucopyranosyloxy groups at positions 5 and 5, and by oxo groups at positions 10 and 10. The exact stereochemisty at positions 9 and 9 is not known - it may be R,R (as shown) or S,S. Cathartic principle from rhubarb. Sennoside A is found in green vegetables and garden rhubarb. Sennoside A is found in garden rhubarb. Cathartic principle from rhubar D005765 - Gastrointestinal Agents > D054368 - Laxatives Sennoside A is an anthraquinone glycoside, found in Senna (Cassia angustifolia)[1]. Sennoside A is a HIV-1 inhibitor effective on HIV-1 replication[2]. Sennoside A is an anthraquinone glycoside, found in Senna (Cassia angustifolia)[1]. Sennoside A is a HIV-1 inhibitor effective on HIV-1 replication[2].

   

Sinensetin

2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one;Sinensetin

C20H20O7 (372.1209)


Sinensetin is a pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3 and 4 respectively. It has a role as a plant metabolite. It is functionally related to a flavone. Sinensetin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3 and 4 respectively. Sinensetin is found in citrus. Sinensetin is found in orange peel and other plant sources. Found in orange peel and other plant sources Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties. Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties.

   

lupinine

Octahydro-2H-quinolizin-1-ylmethanol

C10H19NO (169.1467)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 41 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 55 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 34 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 19 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 11 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 26 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 4

   

Batyl alcohol

3-(octadecyloxy)propane-1,2-diol

C21H44O3 (344.329)


C26170 - Protective Agent > C797 - Radioprotective Agent 3-(Octadecyloxy)propane-1,2-diol is an endogenous metabolite.

   

Glycogen

(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C24H42O21 (666.2218)


Glycogen is a highly-branched polymer of about 30,000 glucose residues. The simplest structure of glycogen is made up of four units of glucose with an approximate molecular weight of 666 daltons. However, large molecules of glycogen can reach molecular weights in the order of 5 million Da. Most of the glucose units are linked together by alpha-1,4 glycosidic bonds, and approximately 1 in 12 glucose residues also form a 1,6 glycosidic bond with a second glucose, resulting in the creation of a branch. Glycogen only has one reducing end and a large number of non-reducing ends with a free hydroxyl group at carbon 4. The glycogen granules contain both glycogen and the enzymes of glycogen synthesis (glycogenesis) and degradation (glycogenolysis). The enzymes are nested between the outer branches of the glycogen molecules and act on the non-reducing ends. Therefore, the many non-reducing end-branches of glycogen facilitate its rapid synthesis and breakdown. In hypoglycemia caused by excessive insulin, liver glycogen levels are high, but the high insulin level prevents the necessary glycogenolysis to take place to maintain normal blood sugar levels. Glucagon is a common treatment for this type of hypoglycemia. Glycogen is a polysaccharide that is the principal storage form of glucose (Glc) in animal cells. Glycogen is found in the form of granules in the cytosol in many cell types. Hepatocytes (liver cells) have the highest concentration of it - up to 8\\% of the fresh weight in well fed state, or 100 to 120 g in an adult - giving liver a distinctive, starchy taste. In the muscles, glycogen is found in a much lower concentration (1\\% of the muscle mass), but the total amount exceeds that in liver. Small amounts of glycogen are found in the kidneys, and even smaller amounts in certain glial cells in the brain and white blood cells. Glycogen is a highly-branched polymer of about 30,000 glucose residues and has a molecular weight between 106 and 107 daltons (4.8 million approx.). Most of Glc units are linked by alpha-1,4 glycosidic bonds, approximately 1 in 12 Glc residues also makes -1,6 glycosidic bond with a second Glc which results in the creation of a branch. Glycogen only has one reducing end and a large number of non-reducing ends with a free hydroxyl group at carbon 4. The glycogen granules contain both glycogen and the enzymes of glycogen synthesis (glycogenesis) and degradation (glycogenolysis). The enzymes are nested between the outer branches of the glycogen molecules and act on the non-reducing ends. Therefore, the many non-reducing end-branches of glycogen facilitate its rapid synthesis and breakdown.

   

dGTP

({[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

C10H16N5O13P3 (506.9957)


Deoxyguanosine triphosphate (dGTP) is a nucleoside triphosphate, and a nucleotide precursor used in cells for DNA synthesis. dGTP is used in the polymerase chain reaction technique, in sequencing, and in cloning. It is also the competitor of inhibition onset by acyclovir in the treatment of HSV virus. Under normal physiologic conditions, deoxyguanosine (dGuo) undergoes phosphorolysis by purine nucleoside phosphorylase (PNP, EC 2.4.2.1, an enzyme involved in the recycling of nucleosides and deoxynucleosides in cellular remodeling). However, when PNP is inhibited, deoxycytidine kinase (dCK, EC 2.7.1.74) shunts unmetabolized dGuo into deoxyguanosine triphosphate (dGTP), which accumulates and blocks DNA synthesis. Deficiency of purine nucleoside phosphorylase results in defective T-cell immunity. A correlation between the degree of T cell inhibition and the level of dCK activity has been observed. (PMID:11287638, 402573). Under normal physiologic conditions, deoxyguanosine (dGuo) undergoes phosphorolysis by purine nucleoside phosphorylase (PNP, EC 2.4.2.1, an enzyme involved in the recycling of nucleosides and deoxynucleosides in cellular remodeling). However, when PNP is inhibited, deoxycytidine kinase (dCK, EC 2.7.1.74) shunts unmetabolized dGuo into deoxyguanosine triphosphate (dGTP), which accumulates and blocks DNA synthesis. Deficiency of purine nucleoside phosphorylase results in defective T-cell immunity. A correlation between the degree of T cell inhibition and the level of dCK activity is observed. (PMID: 11287638, 402573) [HMDB]. dGTP is found in many foods, some of which are jews ear, evergreen huckleberry, cumin, and red algae. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

myo-Inositol 1,3,4,5,6-pentakisphosphate

{[(1R,2S,3r,4R,5S,6r)-3-hydroxy-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C6H17O21P5 (579.895)


myo-Inositol 1,3,4,5,6-pentakisphosphate, also known as Ins(1,3,4,5,6)P5 or inositol pentaphosphate, is an inositol polyphosphate of emerging significance in cellular signalling. Both Ins(1,3,4,5,6)P5 and its C-2 epimer scyllo-inositol pentakisphosphate (scyllo-InsP(5)) were synthesized from the same myo-inositol-based precursor (PMID: 16755629). InsP6, Ins(1,3,4,5,6)P5, and their close metabolic relatives are amongst the more abundant intracellular inositol polyphosphates. They are involved in chromatin organization, DNA maintenance, gene transcription, nuclear mRNA transport, membrane trafficking, and control of cell proliferation (PMID: 14992690). myo-Inositol 1,3,4,5,6-pentakisphosphate (Ins(1,3,4,5,6)P(5)), an inositol polyphosphate of emerging significance in cellular signalling, and its C-2 epimer scyllo-inositol pentakisphosphate (scyllo-InsP(5)) were synthesised from the same myo-inositol-based precursor. (PMID: 16755629)

   

Pamidronate

(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid

C3H11NO7P2 (235.0011)


Pamidronate is only found in individuals that have used or taken this drug.Pamidronate, marketed as pamidronate disodium pentahydrate under the brand name Aredia, is a bisphosphonate. [Wikipedia]The mechanism of action of pamidronate is inhibition of bone resorption. Pamidronate adsorbs to calcium phosphate (hydroxyapatite) crystals in bone and may directly block dissolution of this mineral component of bone. In vitro studies also suggest that inhibition of osteoclast activity contributes to inhibition of bone resorption. Pamidronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass. M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates

   

Pyrvinium

2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium

C26H28N3+ (382.2283)


Pyrvinium, also known as molevac or pyrcon, belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. Pyrvinium is considered to be a practically insoluble (in water) and relatively neutral molecule. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent

   

Alendronic acid

(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid

C4H13NO7P2 (249.0167)


Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). [HMDB] Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates

   

Buclizine

1-((4-Chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)piperazine

C28H33ClN2 (432.2332)


Buclizine is only found in individuals that have used or taken this drug. It is an antihistamine of the piperazine derivative family. [Wikipedia]Vomiting (emesis) is essentially a protective mechanism for removing irritant or otherwise harmful substances from the upper GI tract. Emesis or vomiting is controlled by the vomiting centre in the medulla region of the brain, an important part of which is the chemotrigger zone (CTZ). The vomiting centre possesses neurons which are rich in muscarinic cholinergic and histamine containing synapses. These types of neurons are especially involved in transmission from the vestibular apparatus to the vomiting centre. Motion sickness principally involves overstimulation of these pathways due to various sensory stimuli. Hence the action of buclizine which acts to block the histamine receptors in the vomiting centre and thus reduce activity along these pathways. Furthermore since buclizine possesses anti-cholinergic properties as well, the muscarinic receptors are similarly blocked. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Rifapentine

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,21Z)-26-[(1E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl]-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,23,25(29),26-nonaen-13-yl acetate

C47H64N4O12 (876.4521)


Rifapentine is only found in individuals that have used or taken this drug. It is an antibiotic drug used in the treatment of tuberculosis.Rifapentine has shown higher bacteriostatic and bactericidal activities especially against intracellular bacteria growing in human monocyte-derived macrophages. Rifapentine inhibits DNA-dependent RNA polymerase in susceptible strains of M. tuberculosis. Rifapentine acts via the inhibition of DNA-dependent RNA polymerase, leading to a suppression of RNA synthesis and cell death. J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AB - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

   

Risedronate

[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid

C7H11NO7P2 (283.0011)


Risedronate is only found in individuals that have used or taken this drug. It is a bisphosphonate used to strengthen bone, treat or prevent osteoporosis, and treat Pagets disease of bone.The action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Risedronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass. M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Cryptolepine

5-methyl-5H-indolo[3,2-b]quinoline

C16H12N2 (232.1)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

   

Euxanthone

1,7-Dihydroxy-9H-xanthen-9-one, 9CI

C13H8O4 (228.0423)


Occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango). Euxanthone is found in fruits and mammee apple. Euxanthone is found in fruits. Euxanthone occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango

   

Orchinol

2,4-Dimethoxy-7-hydroxy-9,10-dihydrophenanthrene

C16H16O3 (256.1099)


   

Diphyllin

9-(1,3-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one; NSC 309691

C21H16O7 (380.0896)


Diphyllin is a lignan. Diphyllin is a natural product found in Haplophyllum alberti-regelii, Haplophyllum bucharicum, and other organisms with data available. Origin: Plant Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3]. Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3].

   

Robustine

Furo(2,3-b)quinolin-8-ol, 4-methoxy-

C12H9NO3 (215.0582)


A quinoline alkaloid that is furo[2,3-b]quinoline substituted by a methoxy and a hydroxy group at positions 4 and 8 respectively. Robustine, a furoquinoline alkaloid, from Dictamnus albus, exhibits inhibitory potency against human phosphodiesterase 5 (hPDE5A) in vitro[1]. Robustine, a furoquinoline alkaloid, from Dictamnus albus, exhibits inhibitory potency against human phosphodiesterase 5 (hPDE5A) in vitro[1].

   

Cyclopamine

Spiro[9H-benzo[a]fluorene-9,2(3H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3a,4,4,5,6,6,6a,6b,7,7,7a,8,11,11a,11b-octadecahydro-3,6,10,11b-tetramethyl-, (2R,3S,3R,3aS,6S,6aS,6bS,7aR,11aS,11bR)- (9CI)

C27H41NO2 (411.3137)


Cyclopamine is a member of piperidines. It has a role as a glioma-associated oncogene inhibitor. Cyclopamine is a natural product found in Veratrum grandiflorum, Veratrum dahuricum, and Veratrum californicum with data available. Cyclopamine is a naturally occurring chemical that belongs to the group of steroidal jerveratrum alkaloids. It is a teratogen isolated from the corn lily (Veratrum californicum) that causes usually fatal birth defects. It can prevent the fetal brain from dividing into two lobes (holoprosencephaly) and cause the development of a single eye (cyclopia). It does so by inhibiting the hedgehog signaling pathway (Hh). Cyclopamine is useful in studying the role of Hh in normal development, and as a potential treatment for certain cancers in which Hh is overexpressed. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7995; ORIGINAL_PRECURSOR_SCAN_NO 7993 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8002; ORIGINAL_PRECURSOR_SCAN_NO 8001 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8041; ORIGINAL_PRECURSOR_SCAN_NO 8038 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8047; ORIGINAL_PRECURSOR_SCAN_NO 8046 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8048; ORIGINAL_PRECURSOR_SCAN_NO 8045 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7958; ORIGINAL_PRECURSOR_SCAN_NO 7956 Data obtained from a cyclopamine standard purchased from Logan Natural Products, Logan, Utah USA. Cyclopamine is a Hedgehog (Hh) pathway antagonist with an IC50 of 46 nM in the Hh cell assay. Cyclopamine is also a selective Smo inhibitor. Cyclopamine is a Hedgehog (Hh) pathway antagonist with an IC50 of 46 nM in the Hh cell assay. Cyclopamine is also a selective Smo inhibitor.

   

beta-Cyfluthrin

(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid

C22H18Cl2FNO3 (433.0648)


P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07761

   

(1S,3S)-(R)-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

alpha-Cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid

C22H19Cl2NO3 (415.0742)


P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07763

   

Cefoselis

Cefoselisum

C19H22N8O6S2 (522.1104)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Bropirimine

Bropirimine

C10H8BrN3O (264.9851)


D007155 - Immunologic Factors > D007369 - Interferon Inducers C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D000970 - Antineoplastic Agents Same as: D01666

   

BzATP

3-O-(4-Benzoyl)benzoyl ATP

C24H24N5O15P3 (715.0482)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors

   

CITCO

6-(4-Chlorophenyl)imidazo[2,1-B][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime

C19H12Cl3N3OS (434.9767)


   

Toxoflavin

Toxoflavine

C7H7N5O2 (193.06)


A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.

   

Zamamistatin

Aeroplysinin I

C9H9Br2NO3 (336.8949)


   

Tricosane

CH3-[CH2]21-CH3

C23H48 (324.3756)


N-tricosane, also known as ch3-[ch2]21-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, N-tricosane is considered to be a hydrocarbon lipid molecule. N-tricosane is an alkane and waxy tasting compound and can be found in a number of food items such as kohlrabi, papaya, coconut, and ginkgo nuts, which makes N-tricosane a potential biomarker for the consumption of these food products. N-tricosane can be found primarily in saliva. The term higher alkanes is sometimes used literally as "alkanes with a higher number of carbon atoms". One definition distinguishes the higher alkanes as the n-alkanes that are solid under natural conditions . Tricosane belongs to the class of organic compounds known as acyclic alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.

   

Alisol A

(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

C30H50O5 (490.3658)


Alisol A is a natural product. Alisol A is a natural product.

   

inositol 1,3,4,5,6-pentakisphosphate

{[3-hydroxy-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C6H17O21P5 (579.895)


   

Senna

(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid

C42H38O20 (862.1956)


Sennosides (also known as senna glycoside or senna) is a medication used to treat constipation and empty the large intestine before surgery. The medication is taken by mouth or via the rectum. It typically begins working in minutes when given by rectum and within twelve hours when given by mouth. It is a weaker laxative than bisacodyl or castor oil. Sennoside A, one of the sennosides present in the laxative medication, has recently proven effective in inhibiting the ribonuclease H (RNase H) activity of human immunodeficiency virus (HIV) reverse transcriptase. Sennosides is anthraquinone glycosides found in senna plant, usually referring to the sennosides A and B, with laxative activity. Sennosides act on and irritate the lining of the intestine wall, thereby causing increased intestinal muscle contractions leading to vigorous bowel movement. Medications derived from SENNA EXTRACT that are used to treat CONSTIPATION. A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives D005765 - Gastrointestinal Agents > D054368 - Laxatives Sennoside A is an anthraquinone glycoside, found in Senna (Cassia angustifolia)[1]. Sennoside A is a HIV-1 inhibitor effective on HIV-1 replication[2]. Sennoside A is an anthraquinone glycoside, found in Senna (Cassia angustifolia)[1]. Sennoside A is a HIV-1 inhibitor effective on HIV-1 replication[2].

   

Alizarin

1,2-dihydroxyanthracene-9,10-dione

C14H8O4 (240.0423)


Alizarin is a dihydroxyanthraquinone that is anthracene-9,10-dione in which the two hydroxy groups are located at positions 1 and 2. It has a role as a chromophore, a dye and a plant metabolite. Alizarin is a natural product found in Oldenlandia umbellata, Rubia alata, and other organisms with data available. See also: Rubia tinctorum root (part of). A dihydroxyanthraquinone that is anthracene-9,10-dione in which the two hydroxy groups are located at positions 1 and 2.

   

MG(O-18:0/0:0/0:0)

(2S)-3-(octadecyloxy)propane-1,2-diol

C21H44O3 (344.329)


MG(O-18:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(O-18:0/0:0/0:0) is made up of one octadecyl(R1). 1-Octadecyl-sn-glycerol is an intermediate in ether lipid metabolism. Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. [HMDB] C26170 - Protective Agent > C797 - Radioprotective Agent 3-(Octadecyloxy)propane-1,2-diol is an endogenous metabolite.

   

6-(4-Chlorophenyl)imidazo[2,1-B][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime

{[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}[(3,4-dichlorophenyl)methoxy]amine

C19H12Cl3N3OS (434.9767)


   

Lawsone

4-hydroxy-1,2-dihydronaphthalene-1,2-dione

C10H6O3 (174.0317)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents D003358 - Cosmetics Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1]. Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1].

   

Rifapentina

26-{[(4-cyclopentylpiperazin-1-yl)imino]methyl}-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate

C47H64N4O12 (876.4521)


   

FA(16:1)

cis-9-hexadecenoic acid

C16H30O2 (254.2246)


Palmitoleic acid (FA 16:1), also known as hexadecenoic acid, is a monounsaturated omega-7 fatty acid with a 16-carbon chain and a double bond at the 9th position. In biological terms, palmitoleic acid serves several important functions: 1. **Energy Source:** Like other fatty acids, palmitoleic acid is a significant source of energy. It can be oxidized through beta-oxidation to produce ATP, the energy currency of the cell. 2. **Cell Membrane Structure:** Palmitoleic acid is a component of phospholipids, which are major constituents of cell membranes. The presence of monounsaturated fatty acids like palmitoleic acid helps maintain the fluidity and flexibility of cell membranes, which is crucial for various cellular processes. 3. **Lipid Signaling:** Palmitoleic acid and its derivatives can act as signaling molecules. For example, it is converted into the lipid mediator called palmitoleoyl-lysophosphatidylcholine (LPC), which plays a role in inflammation and blood clotting. 4. **Insulin Sensitivity:** Palmitoleic acid has been shown to improve insulin sensitivity, which is important for glucose metabolism and can help in the prevention and treatment of type 2 diabetes. 5. **Inflammation Modulation:** Some studies suggest that palmitoleic acid may have anti-inflammatory effects, which could be beneficial in reducing the risk of chronic diseases associated with inflammation. 6. **Skin Health:** Palmitoleic acid is naturally present in the skin and is considered a component of the skin's surface lipids, contributing to the skin's barrier function and helping to prevent water loss. 7. **Biosynthesis of Other Lipids:** Palmitoleic acid serves as a precursor for the synthesis of other complex lipids, including prostaglandins and other eicosanoids, which are involved in a wide range of physiological processes such as inflammation and blood pressure regulation. 8. **Cardiovascular Health:** The consumption of monounsaturated fatty acids like palmitoleic acid is often associated with a lower risk of cardiovascular diseases, although the direct role of palmitoleic acid in this context is still under investigation. It's important to note that while palmitoleic acid has these potential biological functions, the overall impact on health can depend on the balance of fatty acids in the diet and the context of the individual's overall metabolic health. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.

   

AlisolA

(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

C30H50O5 (490.3658)


Alisol A is a natural product. Alisol A is a natural product.

   

Alisol

(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

C30H50O5 (490.3658)


Alisol A is a natural product. Alisol A is a natural product.

   

Batyl

InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3

C21H44O3 (344.329)


Batilol is an alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent. Batyl alcohol is a natural product found in Lobophytum, Sarcophyton crassocaule, and other organisms with data available. C26170 - Protective Agent > C797 - Radioprotective Agent 3-(Octadecyloxy)propane-1,2-diol is an endogenous metabolite.

   

Narirutin

(S)-5-hydroxy-2-(4-hydroxyphenyl)-7-(((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)chroman-4-one

C27H32O14 (580.1792)


Narirutin is a disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an anti-inflammatory agent, an antioxidant and a metabolite. It is a disaccharide derivative, a dihydroxyflavanone, a member of 4-hydroxyflavanones, a (2S)-flavan-4-one and a rutinoside. It is functionally related to a (S)-naringenin. Narirutin is a natural product found in Cyclopia subternata, Citrus latipes, and other organisms with data available. See also: Tangerine peel (part of). A disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2]. Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2].

   

Sinensetin

4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-

C20H20O7 (372.1209)


Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties. Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties.

   

Dtxcid6021115

Rifapentine (Priftin)

C47H64N4O12 (876.4521)


J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AB - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

   

Senna

Senna, Cassia obovata, ext.

C42H38O20 (862.1956)


D005765 - Gastrointestinal Agents > D054368 - Laxatives Sennoside A is an anthraquinone glycoside, found in Senna (Cassia angustifolia)[1]. Sennoside A is a HIV-1 inhibitor effective on HIV-1 replication[2]. Sennoside A is an anthraquinone glycoside, found in Senna (Cassia angustifolia)[1]. Sennoside A is a HIV-1 inhibitor effective on HIV-1 replication[2].

   

Brucin

InChI=1\C23H26N2O4\c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18\h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H

C23H26N2O4 (394.1892)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D007155 - Immunologic Factors

   

Euxanthone

Xanthen-9-one, 1,7-dihydroxy- ; 1,7-Dihydroxy-9H-xanthen-9-one; 1,7-Dihydroxyxanthone; DX 1

C13H8O4 (228.0423)


Euxanthone is a member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. It has a role as a plant metabolite and a metabolite. It is a member of xanthones and a member of phenols. Euxanthone is a natural product found in Garcinia oblongifolia, Hypericum scabrum, and other organisms with data available. A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. Occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango). Euxanthone is found in fruits and mammee apple. Euxanthone is found in fruits. Euxanthone occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango

   

nigericin

Antibiotic K178

C40H68O11 (724.4761)


A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D049990 - Membrane Transport Modulators D007476 - Ionophores CONFIDENCE standard compound; EAWAG_UCHEM_ID 3682

   

ALFENTANIL

ALFENTANIL

C21H32N6O3 (416.2536)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AH - Opioid anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Nandrolone

17beta-hydroxy-19-nor-4-androsten-3-one

C18H26O2 (274.1933)


A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid S - Sensory organs > S01 - Ophthalmologicals

   

Chrysophanic acid

Chrysophanic acid

C15H10O4 (254.0579)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.321 D009676 - Noxae > D009153 - Mutagens relative retention time with respect to 9-anthracene Carboxylic Acid is 1.322 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.318 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.324 Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K. Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K.

   

methazolamide

methazolamide

C5H8N4O3S2 (236.0038)


S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics

   

2-Deoxyguanosine

2-Deoxyguanosine

C10H13N5O4 (267.0967)


A purine 2-deoxyribonucleoside having guanine as the nucleobase. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-Deoxyguanosine (Deoxyguanosine) is a purine nucleoside with a variety of biological activities. 2’-Deoxyguanosine can induce DNA division in mouse thymus cells. 2’-Deoxyguanosine is a potent cell division inhibitor in plant cells[1][2][3]. 2'-Deoxyguanosine (Deoxyguanosine) is deoxyguanosine.

   

paraxanthine

1,7-Dimethylxanthine

C7H8N4O2 (180.0647)


A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QUNWUDVFRNGTCO-UHFFFAOYSA-N_STSL_0243_Paraxanthine_1000fmol_190413_S2_LC02MS02_060; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Paraxanthine, a caffeine metabolite, provides protection against Dopaminergic cell death via stimulation of Ryanodine Receptor Channels.

   

Palmitoleic acid

Trans-Hexa-dec-2-enoic acid

C16H30O2 (254.2246)


A hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. Trans-hexa-dec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-hexa-dec-2-enoic acid converted from (R)-3-Hydroxy-hexadecanoic acid via two enzymes; fatty-acid Synthase and 3- Hydroxypalmitoyl- [acyl-carrier-protein] dehydratase (EC: 2.3.1.85 and EC: 4.2.1.61). [HMDB] Cis-9-palmitoleic acid, also known as palmitoleate or (Z)-9-hexadecenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, cis-9-palmitoleic acid is considered to be a fatty acid lipid molecule. Cis-9-palmitoleic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-9-palmitoleic acid can be found in a number of food items such as red huckleberry, highbush blueberry, butternut, and macadamia nut (m. tetraphylla), which makes cis-9-palmitoleic acid a potential biomarker for the consumption of these food products. Cis-9-palmitoleic acid can be found primarily in most biofluids, including blood, saliva, feces, and urine, as well as in human adipose tissue, prostate and skeletal muscle tissues. Cis-9-palmitoleic acid exists in all living species, ranging from bacteria to humans. Moreover, cis-9-palmitoleic acid is found to be associated with isovaleric acidemia. CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5949; ORIGINAL_PRECURSOR_SCAN_NO 5948 INTERNAL_ID 900; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5959; ORIGINAL_PRECURSOR_SCAN_NO 5958 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5959; ORIGINAL_PRECURSOR_SCAN_NO 5958 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5926; ORIGINAL_PRECURSOR_SCAN_NO 5924 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5944; ORIGINAL_PRECURSOR_SCAN_NO 5943 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5997; ORIGINAL_PRECURSOR_SCAN_NO 5996 CONFIDENCE standard compound; INTERNAL_ID 900; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5943; ORIGINAL_PRECURSOR_SCAN_NO 5941 Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.

   

hexachlorophene

hexachlorophene

C13H6Cl6O2 (403.8499)


D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents CONFIDENCE Identification confirmed with Reference Standard (Level 1); Source 402_8423_MSMS.txt

   

Arctiin

(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone

C27H34O11 (534.2101)


Annotation level-1 Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer activity. Arctiin (NSC 315527) is a plant lignan extracted from burdock seeds and has anti-cancer activity.

   

ALENDRONIC ACID

ALENDRONIC ACID

C4H13NO7P2 (249.0167)


M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates

   

Alizarin

InChI=1\C14H8O4\c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16\h1-6,15,18

C14H8O4 (240.0423)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

estazolam

estazolam

C16H11ClN4 (294.0672)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

Buclizine

Buclizine

C28H33ClN2 (432.2332)


R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Ginkgolide C

Ginkgolide C, analytical standard

C20H24O11 (440.1319)


Annotation level-1 Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.

   

1-NAPHTHYLAMINE

1-Aminonaphthalene

C10H9N (143.0735)


A naphthylamine that is naphthalene substituted by an amino group at position 1. D009676 - Noxae > D002273 - Carcinogens

   

TRICOSANE

TRICOSANE

C23H48 (324.3756)


A straight chain alkane containing 23 carbon atoms.

   

Leonurine

Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester

C14H21N3O5 (311.1481)


Leonurine is a trihydroxybenzoic acid. Leonurine is a natural product found in Leonotis leonurus and Leonurus sibiricus with data available. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory. Leonurine is an alkaloid isolated from Leonurus artemisia, with anti-oxidative and anti-inflammatory.

   

Cypermethrin

theta-cypermethrin

C22H19Cl2NO3 (415.0742)


P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07763

   

Batilol

3-octadecoxypropane-1,2-diol

C21H44O3 (344.329)


Monoacyl glycerol is a member of the class of compounds known as 2-monoacylglycerols. 2-monoacylglycerols are monoacylglycerols containing a glycerol acylated at the 2-position. Monoacyl glycerol is soluble (in water) and a very weakly acidic compound (based on its pKa). Monoacyl glycerol can be found in fig, which makes monoacyl glycerol a potential biomarker for the consumption of this food product. Monoglycerides (also: acylglycerols or monoacylglycerols) are a class of glycerides which are composed of a molecule of glycerol linked to a fatty acid via an ester bond. As glycerol contains both primary and secondary alcohol groups two different types of monoglycerides may be formed; 1-monoacylglycerols where the fatty acid is attached to a primary alcohol, or a 2-monoacylglycerols where the fatty acid is attached to the secondary alcohol . C26170 - Protective Agent > C797 - Radioprotective Agent 3-(Octadecyloxy)propane-1,2-diol is an endogenous metabolite.

   

AI3-35917

EINECS 211-347-4

C23H48 (324.3756)


   

Crysophanol

Chrysophanic acid (1,8-dihydroxy-3-methylanthraquinone)

C15H10O4 (254.0579)


D009676 - Noxae > D009153 - Mutagens Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K. Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K.

   

Zoomaric acid

cis-Delta(9)-Hexadecenoic acid

C16H30O2 (254.2246)


Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats. Palmitoleic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.

   

rhodosin

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol

C14H20O7 (300.1209)


Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy. Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy.

   

Euxanthone

9H-Xanthen-9-one, 1,7-dihydroxy-

C13H8O4 (228.0423)


A natural product found in Cratoxylum cochinchinense.

   

ARNEBIN-3

InChI=1/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3

C18H18O6 (330.1103)


Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. Acetylshikonin is a natural product found in Echium plantagineum, Lithospermum erythrorhizon, and other organisms with data available. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3]. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].

   

Cirsilineol

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-

C18H16O7 (344.0896)


Cirsilineol is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3 and hydroxy groups at positions 5 and 4 respectively. It has a role as a plant metabolite and an antineoplastic agent. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a flavone. Cirsilineol is a natural product found in Thymus herba-barona, Salvia tomentosa, and other organisms with data available. See also: Tangerine peel (part of). A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3 and hydroxy groups at positions 5 and 4 respectively.

   

2-Acetamidofluorene

2-Acetylaminofluorene

C15H13NO (223.0997)


D009676 - Noxae > D002273 - Carcinogens

   

tizanidine

tizanidine

C9H8ClN5S (253.0189)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics Tizanidine is an α2-adrenergic receptor agonist and inhibits neurotransmitter release from CNS noradrenergic neurons. Target: α2-adrenergic receptor Tizanidine is a drug that is used as a muscle relaxant. It is a centrally acting α2 adrenergic agonist. It is used to treat the spasms, cramping, and tightness of muscles caused by medical problems such as multiple sclerosis, ALS, spastic diplegia, back pain, or certain other injuries to the spine or central nervous system. It is also prescribed off-label for migraine headaches, as a sleep aid, and as an anticonvulsant. It is also prescribed for some symptoms of fibromyalgia. Tizanidine has been found to be as effective as other antispasmodic drugs and has superior tolerability to that of baclofen and diazepam. Tizanidine can be very strong even at the 2 mg dose and may cause hypotension, so caution is advised when it is used in patients who have a history of orthostatic hypotension, or when switching from gel cap to tablet form and vice versa. Tizanidine can occasionally cause liver damage, generally the hepatocellular type. Clinical trials show that up to 5\% of patients treated with tizanidine had elevated liver function test values, though symptoms disappeared upon withdrawal of the drug. Care should be used when first beginning treatment with tizanidine with regular liver tests for the first 6 months of treatment.

   

PAMIDRONIC ACID

PAMIDRONIC ACID

C3H11NO7P2 (235.0011)


M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates

   

Risedronic acid

Risedronic acid

C7H11NO7P2 (283.0011)


M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Pyrvinium

Pyrvinium

C26H28N3+ (382.2283)


P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent

   

2-Deoxyguanosine-5-triphosphate

2-Deoxyguanosine-5-triphosphate

C10H16N5O13P3 (506.9957)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-Deoxyguanosine-5-diphosphate

2-Deoxyguanosine-5-diphosphate

C10H15N5O10P2 (427.0294)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Cryptolepine

Cryptolepine

C16H12N2 (232.1)


An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

   

N-Methyl-L-histidine

N-Methyl-L-histidine

C7H11N3O2 (169.0851)


   
   

Cyfluthrin

cis-Cyfluthrin

C22H18Cl2FNO3 (433.0648)


P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07761

   

Aminomethylphosphonate

1-Aminomethylphosphonic acid

CH6NO3P (111.0085)


   

Azinphos-methyl

Azinphos-methyl

C10H12N3O3PS2 (317.0058)


D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D004791 - Enzyme Inhibitors D016573 - Agrochemicals

   

BIS(2-ETHYLHEXYL) ADIPATE

BIS(2-ETHYLHEXYL) ADIPATE

C22H42O4 (370.3083)


   

Ethlenethiourea

2-Mercaptoimidazoline

C3H6N2S (102.0252)