Exact Mass: 188.0869
Exact Mass Matches: 188.0869
Found 500 metabolites which its exact mass value is equals to given mass value 188.0869,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Azelaic acid
Nonanedioic acid is an alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. It has a role as an antibacterial agent, an antineoplastic agent, a dermatologic drug and a plant metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of an azelaate(2-) and an azelaate. Azelaic acid is a saturated dicarboxylic acid found naturally in wheat, rye, and barley. It is also produced by Malassezia furfur, also known as Pityrosporum ovale, which is a species of fungus that is normally found on human skin. Azelaic acid is effective against a number of skin conditions, such as mild to moderate acne, when applied topically in a cream formulation of 20\\\\\%. It works in part by stopping the growth of skin bacteria that cause acne, and by keeping skin pores clear. Azelaic acids antimicrobial action may be attributable to inhibition of microbial cellular protein synthesis. Azelaic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). The physiologic effect of azelaic acid is by means of Decreased Protein Synthesis, and Decreased Sebaceous Gland Activity. Azelaic Acid is a naturally occurring dicarboxylic acid produced by Malassezia furfur and found in whole grain cereals, rye, barley and animal products. Azelaic acid possesses antibacterial, keratolytic, comedolytic, and anti-oxidant activity. Azelaic acid is bactericidal against Proprionibacterium acnes and Staphylococcus epidermidis due to its inhibitory effect on the synthesis of microbial cellular proteins. Azelaic acid exerts its keratolytic and comedolytic effects by reducing the thickness of the stratum corneum and decreasing the number of keratohyalin granules by reducing the amount and distribution of filaggrin in epidermal layers. Azelaic acid also possesses a direct anti-inflammatory effect due to its scavenger activity of free oxygen radical. This drug is used topically to reduce inflammation associated with acne and rosacea. Azelaic acid is a saturated dicarboxylic acid found naturally in wheat, rye, and barley. It is a natural substance that is produced by Malassezia furfur (also known as Pityrosporum ovale), a yeast that lives on normal skin. It is effective against a number of skin conditions, such as mild to moderate acne, when applied topically in a cream formulation of 20\\\\\%. It works in part by stopping the growth of skin bacteria that cause acne, and by keeping skin pores clear. Azelaic acids antimicrobial action may be attributable to inhibition of microbial cellular protein synthesis. See also: Azelaic acid; niacinamide (component of) ... View More ... Azelaic acid (AZA) is a naturally occurring saturated nine-carbon dicarboxylic acid (COOH (CH2)7-COOH). It possesses a variety of biological actions both in vitro and in vivo. Interest in the biological activity of AZA arose originally out of studies of skin surface lipids and the pathogenesis of hypochromia in pityriasis versicolor infection. Later, it was shown that Pityrosporum can oxidize unsaturated fatty acids to C8-C12 dicarboxylic acids that are cornpetitive inhibitors of tyrosinase in vitro. Azelaic acid was chosen for further investigation and development of a new topical drug for treating hyperpigmentary disorders for the following reasons: it possesses a middle-range of antityrosinase activity, is inexpensive, and more soluble to be incorporated into a base cream than other dicarboxylic acids. Azelaic acid is another option for the topical treatment of mild to moderate inflammatory acne vulgaris. It offers effectiveness similar to that of other agents without the systemic side effects of oral antibiotics or the allergic sensitization of topical benzoyl peroxide and with less irritation than tretinoin. Azelaic acid is less expensive than certain other prescription acne preparations, but it is much more expensive than nonprescription benzoyl peroxide preparations. Whether it is safe and effective when used in combination with other agents is not known. (PMID: 7737781, 8961845). An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. Plants biology In plants, azelaic acid serves as a "distress flare" involved in defense responses after infection.[7] It serves as a signal that induces the accumulation of salicylic acid, an important component of a plant's defensive response.[8] Human biology The mechanism of action in humans is thought to be through the inhibition of hyperactive protease activity that converts cathelicidin into the antimicrobial skin peptide LL-37.[9] Polymers and related materials Esters of this dicarboxylic acid find applications in lubrication and plasticizers. In lubricant industries it is used as a thickening agent in lithium complex grease. With hexamethylenediamine, azelaic acid forms Nylon-6,9, which finds specialized uses as a plastic.[4] Medical Azelaic acid is used to treat mild to moderate acne, both comedonal acne and inflammatory acne.[10][11] It belongs to a class of medication called dicarboxylic acids. It works by killing acne bacteria that infect skin pores. It also decreases the production of keratin, which is a natural substance that promotes the growth[clarification needed] of acne bacteria.[12] Azelaic acid is also used as a topical gel treatment for rosacea, due to its ability to reduce inflammation.[11] It clears the bumps and swelling caused by rosacea. In topical pharmaceutical preparations and scientific research AzA is typically used in concentrations between 15\\\% and 20\\\% but some research demonstrates that in certain vehicle formulations the pharmaceutical effects of 10\\\% Azelaic acid has the potential to be fully comparable to that of some 20\\\% creams.[13] Acne treatment Azelaic acid is effective for mild to moderate acne when applied topically at a 15\\\%-20\\\% concentration.[14][15][16][17] In patients with moderate acne, twice daily application over 3 months of 20\\\% AzA significantly reduced the number of comedones, papules, and pustules;[18][19] at this strength, it’s considered to be as effective as benzoyl peroxide 5\\\%, tretinoin 0.05\\\%, erythromycin 2\\\%, and oral tetracycline at 500 mg-1000 mg.[20][21] In a comparative review of effects of topical AzA, Salicylic acid, Nicotinamide, Sulfur, Zinc, and alpha-hydroxy acid, AzA had more high-quality evidence of effectiveness than the rest.[22] Results can be expected after 4 weeks of twice-daily treatment. The effectiveness of long term use is unclear, but it’s been recommended that AzA be used for at least 6 months continuously for maintenance.[20] Whitening agent Azelaic acid is used for treatment of skin pigmentation, including melasma and postinflammatory hyperpigmentation, particularly in those with darker skin types. It has been recommended as an alternative to hydroquinone.[23] As a tyrosinase inhibitor,[5] azelaic acid reduces synthesis of melanin.[24] According to one report in 1988, azelaic acid in combination with zinc sulfate in vitro was found to be a potent (90\\\% inhibition) 5α-reductase inhibitor, similar to the hair loss drugs finasteride and dutasteride.[25] In vitro research during mid-1980s evaluating azelaic acid's depigmenting (whitening) capability concluded it is effective (cytotoxic to melanocytes) at only high concentrations.[26] A 1996 review claimed 20\\\% AzA is as potent as 4\\\% hydroquinone after a period of application of three months without the latter's adverse effects and even more effective if applied along with tretinoin for the same period of time.[27][19] Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2]. Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2].
3-Butylidene-1(3H)-isobenzofuranone
(Z)-3-butylidenephthalide is a gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. It has a role as a metabolite, a hypoglycemic agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of 2-benzofurans and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one. Butylidenephthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. (Z)-3-Butylidene-1(3H)-isobenzofuranone is found in herbs and spices. (Z)-3-Butylidene-1(3H)-isobenzofuranone is a constituent of Angelica glauca Flavouring ingredient. 3-Butylidene-1(3H)-isobenzofuranone is found in wild celery and lovage. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
Eucommiol
Eucommiol is an alicyclic compound that is cyclopent-3-en-1-ol carrying additional hydroxymethyl substituents at positions 3 and 4 as well as a 2-hydroxyethyl substituent at position 2 (the 1R,2R-diastereomer). It has a role as a sedative and a plant metabolite. It is a tetrol, a primary allylic alcohol and an alicyclic compound. Eucommiol is a natural product found in Aucuba japonica, Vitex trifolia, and other organisms with data available. An alicyclic compound that is cyclopent-3-en-1-ol carrying additional hydroxymethyl substituents at positions 3 and 4 as well as a 2-hydroxyethyl substituent at position 2 (the 1R,2R-diastereomer).
Antipyrine
An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29) N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Vasicine
Annotation level-1 (±)-Vasicine is the racemate of Vasicine. Vasicine (Peganine) significantly inhibits H+-K+-ATPase activity?in vitro?with an IC50 of 73.47?μg/mL. Anti-ulcer activity. Vasicine shows significant anti-secretory, antioxidant and?cytoprotective?effect[1].
(3S)-3-Hydroxy-L-enduracididine
A non-proteinogenic L-alpha-amino acid that is L-serine substituted at position 3 by a 2-iminoimidazolidin-4-yl group.
Tabtoxinine-delta-lactam
A delta-lactam that is L-pipecolic acid carrying additional hydroxy and aminomethyl substituents at position 5 as well as an oxo substituent at position 6.
Vasicine
1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol is a member of quinazolines. (±)-Vasicine is the racemate of Vasicine. Vasicine (Peganine) significantly inhibits H+-K+-ATPase activity?in vitro?with an IC50 of 73.47?μg/mL. Anti-ulcer activity. Vasicine shows significant anti-secretory, antioxidant and?cytoprotective?effect[1].
N-Acetylglutamine
N-Acetyl-L-glutamine (NAcGln) or N-Acetylglutamine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylglutamine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylglutamine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-glutamine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT‚Äôs (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylglutamine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free glutamine can also occur. In particular, N-Acetylglutamine can be biosynthesized from L-glutamine and acetyl-CoA by the enzyme glutamine N-acyltransferase (EC 2.3.1.68). Excessive amounts N-acetyl amino acids including N-acetylglutamine (as well as N-acetylglycine, N-acetylserine, N-acetylmethionine, N-acetylglutamate, N-acetylalanine, N-acetylleucine and smaller amounts of N-acetylthreonine, N-acetylisoleucine, and N-acetylvaline) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylglutamine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-acetylglutamine can be used for parenteral nutrition as a source of glutamine since glutamine is too unstable whereas N-acetylglutamine is very stable. In patients treated with aminoglycosides and/or glycopeptides, an elevation of N-acetylglutamine in urine suggests renal tubular injury. N-Acetylglutamine (GIcNAc) is a modified amino acid (an acetylated analogue of glutamine), a metabolite present in normal human urine. The decomposition products of GIcNAc have been identified by NMR and HPLC-MS as N-acetyl-L-glutamic acid, N-(2,6-dioxo-3-piperidinyl) acetamide, pyroglutamic acid, glutamic acid, and glutamine. GIcNAc is used for parenteral nutrition as a source of glutamine, since glutamine is too unstable, but GIcNAc is very stable. In patients treated with aminoglycosides and/or glycopeptides, elevation GIcNAc in urine suggests renal tubular injury. High amounts of N-acetylated amino acids (i.e.: N-Acetylglutamine) were detected patient with aminoacylase I deficiency (EC 3.5.1.14, a homodimeric zinc-binding metalloenzyme located in the cytosol), a novel inborn error of metabolism. (PMID: 15331932, 11312773, 7952062, 2569664, 16274666) [HMDB] C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Aceglutamide (α-N-Acetyl-L-glutamine) is a psychostimulant and nootropic, used to improve memory and concentration[1].
Nonate
Nonic acid or the anion, nonate, is a derivative of succinic acid, which is a dicarboxylic acid. The anion, succinate, is a component of the citric acid cycle capable of donating electrons to the electron transfer chain. Succinate dehydrogenase (SDH) plays an important role in the mitochondria, being both part of the respiratory chain and the Krebs cycle. SDH with a covalently attached FAD prosthetic group, binds enzyme substrates (succinate and fumarate) and physiological regulators (oxaloacetate and ATP). Oxidizing succinate links SDH to the fast-cycling Krebs cycle portion where it participates in the breakdown of acetyl-CoA throughout the whole Krebs cycle. The succinate can readily be imported into the mitochondrial matrix by the n-butylmalonate- (or phenylsuccinate-) sensitive dicarboxylate carrier in exchange with inorganic phosphate or another organic acid, e. g. malate. (PMID 16143825) Mutations in the four genes encoding the subunits of the mitochondrial respiratory chain succinate dehydrogenase are associated with a wide spectrum of clinical presentations (i.e.: Huntingtons disease. (PMID 11803021) [HMDB] Nonic acid or the anion, nonate, is a derivative of succinic acid, which is a dicarboxylic acid. The anion, succinate, is a component of the citric acid cycle capable of donating electrons to the electron transfer chain. Succinate dehydrogenase (SDH) plays an important role in the mitochondria, being both part of the respiratory chain and the Krebs cycle. SDH with a covalently attached FAD prosthetic group, binds enzyme substrates (succinate and fumarate) and physiological regulators (oxaloacetate and ATP). Oxidizing succinate links SDH to the fast-cycling Krebs cycle portion where it participates in the breakdown of acetyl-CoA throughout the whole Krebs cycle. The succinate can readily be imported into the mitochondrial matrix by the n-butylmalonate- (or phenylsuccinate-) sensitive dicarboxylate carrier in exchange with inorganic phosphate or another organic acid, e. g. malate. (PMID 16143825) Mutations in the four genes encoding the subunits of the mitochondrial respiratory chain succinate dehydrogenase are associated with a wide spectrum of clinical presentations (i.e.: Huntingtons disease. (PMID 11803021).
3-Methylsuberic acid
3-Methylsuberic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Trigoforin
Constituent of Trigonella foenum-graecum (fenugreek). Trigoforin is found in herbs and spices and fenugreek. Trigoforin is found in fenugreek. Trigoforin is a constituent of Trigonella foenum-graecum (fenugreek)
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
3-(2-methylpropylidene)-1(3h)-isobenzofuranone is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position. 3-(2-methylpropylidene)-1(3h)-isobenzofuranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-(2-methylpropylidene)-1(3h)-isobenzofuranone can be found in wild celery, which makes 3-(2-methylpropylidene)-1(3h)-isobenzofuranone a potential biomarker for the consumption of this food product. (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone is found in green vegetables. (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone is a odorous constituent of celer
Glycylhydroxyproline
Glycylhydroxyproline is likely a proteolytic breakdown product of collagen. It belongs to the family of peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of collagen. [HMDB]
cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
(+/-)-Ethyl 3-acetoxy-2-methylbutyrate
(+/-)-Ethyl 3-acetoxy-2-methylbutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
(+/-)-Methyl 5-acetoxyhexanoate
(+/-)-Methyl 5-acetoxyhexanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Butyl ethyl malonate
Butyl ethyl malonate is a flavouring agent Flavouring agent
N-(2,5-Dihydroxyphenyl)pyridinium(1+)
N-(2,5-Dihydroxyphenyl)pyridinium(1+) is found in fruits. N-(2,5-Dihydroxyphenyl)pyridinium(1+) is isolated from the leaves of Punica granatum (pomegranate). Isolated from the leaves of Punica granatum (pomegranate). N-(2,5-Dihydroxyphenyl)pyridinium(1+) is found in fruits.
Allyl cinnamate
Allyl cinnamate is a flavouring agent. Flavouring agent
2,4-Dimethylpimelic acid
2,4-Dimethylpimelic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Diethyl methylsuccinate
Diethyl methylsuccinate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
Diethyl glutarate
Diethyl glutarate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
Indolepropionamide
Indolepropionamide (IPAM) is a product of tryptophan metabolism formed by symbiotic bacteria in the gastrointestinal tract of mammals. In particular, IPAM is an amide derivatization product of indole-3-propionic acid (IPA). IPAM reduces reactive oxygen species by inhibiting oxidative phosphorylation in complex I of the electron transport chain and acts as a stabilizer of energy metabolism, thereby reducing reactive oxygen species (ROS) production. In contrast to indole-3-propionic acid which bears a polar carboxyl group that is ionized at physiological pH carrying a negative charge, IPAM is non-polar and has sufficient lipophilicity to penetrate through biological membranes. In contrast to melatonin, IPAM is a "reversed amide" lacking the methoxy group as an aromatic substituent. In contrast to IPAM, melatonin is quickly metabolized in the liver by hydroxylation and excreted as the glucuronide or sulfate conjugate of 6-hydroxymelatonin (a pro-oxidant metabolite). IPAM, however, has a long half-life and no pro-oxidant activity (PMID: 20421998).
(E)-Butylidene phthalide
(e)-butylidene phthalide, also known as 3-butylidene-1(3h)-isobenzofuranone, is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position (e)-butylidene phthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (e)-butylidene phthalide can be found in wild celery, which makes (e)-butylidene phthalide a potential biomarker for the consumption of this food product. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
3-(2-Hydroxyethyl)-5-(2-hydroxypropyl)-dihydrofuran-2(3H)-one
2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-5-carbaldehyde
3-Butylidene-1(3H)-isobenzofuranone
(Z)-3-Butylidene-1(3H)-isobenzofuranone is found in herbs and spices. (Z)-3-Butylidene-1(3H)-isobenzofuranone is a constituent of Angelica glauca Flavouring ingredient. 3-Butylidene-1(3H)-isobenzofuranone is found in wild celery and lovage. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
3-(2-Hydroxyethyl)-5-(2-hydroxypropyl)-4,5-dihydrofuran-2(3H)-one
1,8-Decadiene-3,6-diyn-5-ol-(Z)-form-Ac|5-acetoxy-deca-1,8Z-diene-3,6-diyne
2-Methylene-3-hydroperoxybutyric acid 2-methylpropyl ester
(E)-N-(4-aminobutyl)-3-methylthio-prop-2-enamide|(E)-N-[3-(methylthio)propenoyl]-4-amino-1-butanamide|hemileptaglin
communiol C|{(3S,5S)-5-[(S)-1-hydroxypropyl]tetrahydrofuran-3-yl}acetic acid
1-Alcohol-4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid enzoic acid|4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzyl alcohol|eutypinol
antipyrine
A member of the class of pyrazoles that is 1,2-dihydropyrazol-3-one substituted with methyl groups at C-1 and C-5 and with a phenyl group at N-2. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 2273 INTERNAL_ID 2273; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4068 CONFIDENCE standard compound; EAWAG_UCHEM_ID 338
Azelaic Acid
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000970 - Antineoplastic Agents D003879 - Dermatologic Agents Annotation level-2 Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2]. Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2].
Phenazone
CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6322; ORIGINAL_PRECURSOR_SCAN_NO 6320 N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6343; ORIGINAL_PRECURSOR_SCAN_NO 6341 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6369; ORIGINAL_PRECURSOR_SCAN_NO 6367 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6347; ORIGINAL_PRECURSOR_SCAN_NO 6344 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6363; ORIGINAL_PRECURSOR_SCAN_NO 6361 CONFIDENCE standard compound; INTERNAL_ID 347; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6409; ORIGINAL_PRECURSOR_SCAN_NO 6408 CONFIDENCE standard compound; INTERNAL_ID 347; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) INTERNAL_ID 347; CONFIDENCE standard compound; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); CONFIDENCE Reference Standard (Level 1) Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 2652 CONFIDENCE standard compound; INTERNAL_ID 8546
azelate
Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2]. Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2].
Aceglutamide
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Aceglutamide (α-N-Acetyl-L-glutamine) is a psychostimulant and nootropic, used to improve memory and concentration[1].
(L)-2-DIAZOACETYL-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
1-(2-AMINO-PHENYL)-PIPERIDINE-4-CARBOXYLICACIDETHYLESTER
2-(AMINOMETHYL)-N,N-DIMETHYLPYRIMIDIN-5-AMINE HYDROCHLORIDE
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylic acid
Pyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-, (3aS)- (9CI)
2,2,2-TRIFLUORO-1-PYRIDIN-3-YLETHYLAMINE HYDROCHLORIDE
3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one dihydrochloride
Pyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-, (3aR)- (9CI)
2(3H)-Furanone,dihydro-3-methylene-5-(phenylmethyl)-
Methyl-5-deoxy-2,3-O-isopropylidene-b-D-ribofuranoside
Pyrido[1,2-a]benzimidazol-2-ol, 1,2,3,4-tetrahydro- (9CI)
1-methyl-3-propyl-1,2-dihydroimidazol-1-ium,nitrate
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
1H-Benzimidazole-2-carboxaldehyde,1-(1-methylethyl)-(9CI)
(R)-1-(3,5-DIFLUOROPYRIDIN-2-YL)-2-METHOXYETHANAMINE
(E)-4-(2-(CHLOROPHENYL)ETHENYL-2,6-BIS(1,1-DIMETHYLETHYL)PYRRILIUMSALT
1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl-(9CI)
4-amidino-N-nitroso-1-tetrazene-1-carboximidohydrazide
Pyrimido[2,1-a]isoindol-6(2H)-one,1,3,4,10b-tetrahydro-
(2E)-N-(5-CHLORO-2-METHOXYPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
Poly(oxy-1,2-ethanediyl), .alpha.-2-naphthalenyl-.omega.-hydroxy-
2-(aminomethyl)-3,5-dimethyl-4(1H)-pyridinone(SALTDATA: 2HCl 1H2O)
4-[(2,3-EPOXYPROPOXY)METHYL]-2,2-DIMETHYL-1,3-DIOXOLANE
1H-Benzimidazole,2-ethenyl-5-methoxy-1-methyl-(9CI)
Pentanedioic acid,2,4-dimethyl-, 1,5-dimethyl ester
1H-Benzimidazole,2-(2-methoxyethenyl)-1-methyl-(9CI)
Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-6-methyl-
(Z)-Butylidenephthalide
(z)-3-butylidene-1(3h)-isobenzofuranone, also known as (Z)-3-butylidenephthalide, is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position (z)-3-butylidene-1(3h)-isobenzofuranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3-butylidene-1(3h)-isobenzofuranone can be found in herbs and spices and lovage, which makes (z)-3-butylidene-1(3h)-isobenzofuranone a potential biomarker for the consumption of these food products. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
3-(1H-indol-3-yl)Propanoate
A monocarboxylic acid anion that is the conjugate base of 3-(1H-indol-3-yl)propanoic acid.
(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carboxylate
(2S)-2-azaniumyl-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoate
1-(2-Aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
2-Methylbutyl 2-acetyloxyacetate
An acetate ester obtained by the formal condensation of the carboxy group of (acetyloxy)acetic acid with 2-methylbutanol.
4,6-dimethyl-2-oxo-5-prop-2-enyl-1H-pyridine-3-carbonitrile
(4S,5S)-4,5-Bis(methoxymethyl)-2-vinyl-1,3-dioxolane
(4S,5S)-2-Ethylidene-4,5-bis(methoxymethyl)-1,3-dioxolane
10-Amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Ligusticum lactone
(Z)-3-butylidenephthalide is a gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. It has a role as a metabolite, a hypoglycemic agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of 2-benzofurans and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one. Butylidenephthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. A gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
Diethyl glutarate
A diester obtained by the formal condensation of carboxy groups of glutaric acid with two molecules of ethanol respectively.
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
2,6-diaminopimelate(2-)
A dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid.
procollagen 5-hydroxy-L-lysinium(1+)
Procollagen 5-hydroxy-L-lysine protonated at the 6-amino group.
N(2)-acetylglutamine
A glutamine derivative with an acetyl group bound at the alpha-amino group.
6-Hydroxytetrahydro-beta-carboline
A natural product found in Paramuricea clavata.
(1s,7s)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
4-(hydroxymethyl)-2-(3-methylbut-3-en-1-yn-1-yl)phenol
1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
4-(c-hydroxycarbonimidoyl)-2-[(1-hydroxyethylidene)amino]butanoic acid
2,4 azelaic acid
{"Ingredient_id": "HBIN004290","Ingredient_name": "2,4 azelaic acid","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "C(CCCC(=O)O)CCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42326","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methylene-3-buten-1-yl benzoate
{"Ingredient_id": "HBIN006047","Ingredient_name": "2-methylene-3-buten-1-yl benzoate","Alias": "NA","Ingredient_formula": "C12H12O2","Ingredient_Smile": "NA","Ingredient_weight": "188.22","OB_score": "NA","CAS_id": "150967-24-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8560","PubChem_id": "NA","DrugBank_id": "NA"}
2-T-butyl-5-methyl-[1,3]dioxolane-4-carboxylic acid
{"Ingredient_id": "HBIN006828","Ingredient_name": "2-T-butyl-5-methyl-[1,3]dioxolane-4-carboxylic acid","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC1C(OC(O1)C(C)(C)C)C(=O)O","Ingredient_weight": "188.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "582907","DrugBank_id": "NA"}
3-(2'-hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3h)-one
{"Ingredient_id": "HBIN007044","Ingredient_name": "3-(2'-hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3h)-one","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC(CC1CC(C(=O)O1)CCO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10104","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-butylidene-phalide
{"Ingredient_id": "HBIN008361","Ingredient_name": "3-butylidene-phalide","Alias": "NA","Ingredient_formula": "C12H12O2","Ingredient_Smile": "CCCC=C1C2=CC=CC=C2C(=O)O1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14535","TCMID_id": "2797","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,4-dimethyl-1,7-heptanedioicacid
{"Ingredient_id": "HBIN009945","Ingredient_name": "4,4-dimethyl-1,7-heptanedioicacid","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC(C)(CCC(=O)O)CCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-methylenedioxy-n-methylisoquinoline
{"Ingredient_id": "HBIN012097","Ingredient_name": "6,7-methylenedioxy-n-methylisoquinoline","Alias": "NA","Ingredient_formula": "C11H10NO2+","Ingredient_Smile": "C[N+]1=CC2=CC3=C(C=C2C=C1)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14371","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-10-deoxyeucommiol
{"Ingredient_id": "HBIN013197","Ingredient_name": "7-hydroxy-10-deoxyeucommiol","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC1=C(C(C(C1O)O)CCO)CO","Ingredient_weight": "188.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9987","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "641677","DrugBank_id": "NA"}
