Exact Mass: 242.0844
Exact Mass Matches: 242.0844
Found 500 metabolites which its exact mass value is equals to given mass value 242.0844,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thymidine
Deoxythymidine, also known as 2-deoxy-5-methyluridine or 5-methyl-2-deoxyuridine, is a member of the class of compounds known as pyrimidine 2-deoxyribonucleosides. Pyrimidine 2-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. Deoxythymidine is soluble (in water) and a very weakly acidic compound (based on its pKa). Deoxythymidine can be synthesized from thymine. Deoxythymidine is also a parent compound for other transformation products, including but not limited to, tritiated thymidine, alpha-tritiated thymidine, and 5,6-dihydrothymidine. Deoxythymidine can be found in a number of food items such as butternut squash, mammee apple, catjang pea, and climbing bean, which makes deoxythymidine a potential biomarker for the consumption of these food products. Deoxythymidine can be found primarily in most biofluids, including blood, amniotic fluid, cerebrospinal fluid (CSF), and urine, as well as throughout most human tissues. Deoxythymidine exists in all living species, ranging from bacteria to humans. In humans, deoxythymidine is involved in the pyrimidine metabolism. Deoxythymidine is also involved in few metabolic disorders, which include beta ureidopropionase deficiency, dihydropyrimidinase deficiency, MNGIE (mitochondrial neurogastrointestinal encephalopathy), and UMP synthase deficiency (orotic aciduria). Moreover, deoxythymidine is found to be associated with canavan disease and degenerative disc disease. Thymidine (deoxythymidine; other names deoxyribosylthymine, thymine deoxyriboside) is a pyrimidine deoxynucleoside. Deoxythymidine is the DNA nucleoside T, which pairs with deoxyadenosine (A) in double-stranded DNA. In cell biology it is used to synchronize the cells in G1/early S phase . Thymidine, also known as deoxythymidine or deoxyribosylthymine or thymine deoxyriboside, is a pyrimidine deoxynucleoside. It consists of the nucleobase thymine attached to deoxyribose through a beta N- glycosidic bond. Thymidine also belongs to the class of organic compounds known as pyrimidine 2-deoxyribonucleosides. Pyrimidine 2-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. Deoxythymidine (or thymidine) is the DNA nucleoside T, which pairs with deoxyadenosine (A) in double-stranded DNA. Therefore, thymidine is essential to all life. Indeed, thymidine exists in all living species, ranging from bacteria to plants to humans. Within humans, thymidine participates in a number of enzymatic reactions. In particular, thymidine can be biosynthesized from 5-thymidylic acid through its interaction with the enzyme cytosolic purine 5-nucleotidase. In addition, thymidine can be converted into 5-thymidylic acid; which is catalyzed by the enzyme thymidine kinase. Deoxythymidine can be phosphorylated with one, two or three phosphoric acid groups, creating dTMP (deoxythymidine monophosphate), dTDP, or dTTP (for the di- and tri- phosphates, respectively). dTMP can be incorporated into DNA via DNA polymerases. In cell biology, thymidine can be used to synchronize the cells in S phase. Derivatives of thymidine are used in a number of drugs, including Azidothymidine (AZT), which is used in the treatment of HIV infection. AZT inhibits the process of reverse transcription in the human immunodeficiency virus. Thymidine is a pyrimidine 2-deoxyribonucleoside having thymine as the nucleobase. It has a role as a metabolite, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a thymine. It is an enantiomer of a telbivudine. Thymidine is a pyrimidine deoxynucleoside. Thymidine is the DNA nucleoside T, which pairs with deoxyadenosine (A) in double-stranded DNA. In cell biology it is used to synchronize the cells in S phase. Thymidine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Thymidine is a natural product found in Fritillaria thunbergii, Saussurea medusa, and other organisms with data available. Thymidine is a pyrimidine nucleoside that is composed of the pyrimidine base thymine attached to the sugar deoxyribose. As a constituent of DNA, thymidine pairs with adenine in the DNA double helix. (NCI04) Thymidine is a metabolite found in or produced by Saccharomyces cerevisiae. A nucleoside in which THYMINE is linked to DEOXYRIBOSE. A pyrimidine 2-deoxyribonucleoside having thymine as the nucleobase. KEIO_ID T014; [MS2] KO009272 KEIO_ID T014 Thymidine, a specific precursor of deoxyribonucleic acid, is used as a cell synchronizing agent. Thymidine is a DNA synthesis inhibitor that can arrest cell at G1/S boundary, prior to DNA replication[1][2][3]. Thymidine, a specific precursor of deoxyribonucleic acid, is used as a cell synchronizing agent. Thymidine is a DNA synthesis inhibitor that can arrest cell at G1/S boundary, prior to DNA replication[1][2][3].
lapachone
Beta-lapachone is a benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. It has a role as an antineoplastic agent, an anti-inflammatory agent and a plant metabolite. It is a benzochromenone and a member of orthoquinones. Lapachone has been used in trials studying the treatment of Cancer, Carcinoma, Advanced Solid Tumors, Head and Neck Neoplasms, and Carcinoma, Squamous Cell. beta-Lapachone is a natural product found in Markhamia stipulata, Markhamia lutea, and other organisms with data available. Lapachone is a poorly soluble, ortho-naphthoquinone with potential antineoplastic and radiosensitizing activity. Beta-lapachone (b-lap) is bioactivated by NAD(P)H:quinone oxidoreductase-1 (NQO1), creating a futile oxidoreduction that generates high levels of superoxide. In turn, the highly reactive oxygen species (ROS) interact with DNA, thereby causing single-strand DNA breaks and calcium release from endoplasmic reticulum (ER) stores. Eventually, the extensive DNA damage causes hyperactivation of poly(ADP-ribose) polymerase-1 (PARP-1), an enzyme facilitating DNA repair, accompanied by rapid depletion of NAD+/ATP nucleotide levels. As a result, a caspase-independent and ER-stress induced mu-calpain-mediated cell death occurs in NQO1-overexpressing tumor cells. NQO1, a flavoprotein and two-electron oxidoreductase, is overexpressed in a variety of tumors. A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression. β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.
Pinostilbene
3-methoxy-4,5-dihydroxy-trans-stilbene is a stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether. It is functionally related to a trans-resveratrol. 3-Methoxy-4,5-dihydroxy-trans-stilbene is a natural product found in Soymida febrifuga, Rumex bucephalophorus, and other organisms with data available. A stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether. Pinostilbene (trans-Pinostilbene) is a major metabolite of Pterostilbene. Pinostilbene exhibits inhibitory effects on colon cancer cells[1]. Pinostilbene (trans-Pinostilbene) is a major metabolite of Pterostilbene. Pinostilbene exhibits inhibitory effects on colon cancer cells[1].
Equol
Equol is a metabolite of daidzein, a phytoestrogen common in the human diet and abundant in soy. Intestinal bacteria in humans can reduce daidzein to equol, and can be found in normal human urine. The clinical effectiveness of soy isoflavones may be a function of the ability to biotransform soy isoflavones to the more potent estrogenic metabolite, equol, which may enhance the actions of soy isoflavones, owing to its greater affinity for estrogen receptors, unique antiandrogenic properties, and superior antioxidant activity. However, not all individuals consuming daidzein produce equol. Only approximately one-third to one-half of the population is able to metabolize daidzein to equol. This high variability in equol production is presumably attributable to interindividual differences in the composition of the intestinal microflora, which may play an important role in the mechanisms of action of isoflavones. (PMID: 17579895, 17579894). Equol can be found in Bacteroides, Bifidobacterium, Enterococcus, Lactobacillus and Eggerthella (PMID: 20519412; PMID: 18838805). Equol is a metabolite of daidzein, a phytoestrogen common in the human diet and abundant in soy. Intestinal bacteria in humans can reduce daidzein to equol, and can be found in normal human urine. The clinical effectiveness of soy isoflavones may be a function of the ability to biotransform soy isoflavones to the more potent estrogenic metabolite, equol, which may enhance the actions of soy isoflavones, owing to its greater affinity for estrogen receptors, unique antiandrogenic properties, and superior antioxidant activity. However, not all individuals consuming daidzein produce equol. Only approximately one-third to one-half of the population is able to metabolize daidzein to equol. This high variability in equol production is presumably attributable to interindividual differences in the composition of the intestinal microflora, which may play an important role in the mechanisms of action of isoflavones. (PMID: 17579895, 17579894) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (±)-Equol is the racemate of equol. (±)-equol exhibits EC50s of 200 and 74 nM for human ERα and ERβ, respectively. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
Lapachol
Lapachol is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae. It has a role as a plant metabolite, an antineoplastic agent, an antibacterial agent and an anti-inflammatory agent. It is a hydroxy-1,4-naphthoquinone and an olefinic compound. NA is a natural product found in Plenckia populnea, Stereospermum colais, and other organisms with data available. A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents [Raw Data] CB290_Lapachol_pos_40eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_50eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_10eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_30eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_20eV_CB000086.txt [Raw Data] CB290_Lapachol_neg_10eV_000049.txt [Raw Data] CB290_Lapachol_neg_20eV_000049.txt [Raw Data] CB290_Lapachol_neg_40eV_000049.txt [Raw Data] CB290_Lapachol_neg_50eV_000049.txt [Raw Data] CB290_Lapachol_neg_30eV_000049.txt Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2]. Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2].
beta-Lapachone
[Raw Data] CB138_beta-Lapachone_pos_30eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_50eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_10eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_20eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_40eV_CB000050.txt β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression. β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.
Fenoprofen
Fenoprofen is only found in individuals that have used or taken this drug. It is an anti-inflammatory analgesic and antipyretic highly bound to plasma proteins. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. [PubChem]Fenoprofens exact mode of action is unknown, but it is thought that prostaglandin synthetase inhibition is involved. Fenoprofen has been shown to inhibit prostaglandin synthetase isolated from bovine seminal vesicles. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors 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 C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Lumichrome
Lumichrome, also known as light folinic acid or 7,8-dimethyl-10-ribitylisoalloxazine, is a derivative of riboflavin (vitamin B2). The chemical structure of lumichrome consists of a heterocyclic isoalloxazine ring, which is a fused pyridine and pyrazine ring system. The isoalloxazine ring contains a methyl group at the 7 and 8 positions and is substituted at the 10 position with a ribityl group, which is a 5-carbon chain derived from ribose with a methyl group at the 2’ position. Photocatalytic Activity: Lumichrome exhibits photocatalytic activity and can act as a photosensitizer. It can absorb light energy and transfer it to other molecules, potentially triggering photochemical reactions. Fluorescence: Lumichrome is known for its fluorescence properties. This characteristic makes it useful in various applications, including fluorescence microscopy and as a labeling agent in biological assays. Antioxidant Properties: Lumichrome has been found to have antioxidant properties. It can scavenge free radicals, which may help in protecting cells from oxidative stress. Metabolic Intermediate: In the body, lumichrome can be formed from riboflavin through photochemical or enzymatic degradation. It may play a role in the metabolism of flavins and could be involved in the recycling of flavin cofactors. Potential Biomarker: Due to its presence in biological tissues and its fluorescence properties, lumichrome has been proposed as a potential biomarker for certain diseases and conditions. Plant Pigment: In plants, lumichrome can be involved in light capture and energy transfer processes, although it is not a chlorophyll pigment. It may contribute to the overall light-harvesting capabilities of plant tissues. While lumichrome has several interesting chemical and biological properties, it is not considered an essential nutrient like its parent compound, riboflavin. Its exact role in biological systems is still an area of ongoing research. Lumichrome, a photodegradation product of Riboflavin, is an endogenous compound in humans. Lumichrome inhibits human lung cancer cell growth and induces apoptosis via a p53-dependent mechanism[1][2].
Lusianthridin
7-methoxy-9,10-dihydrophenanthrene-2,5-diol is a dihydrophenanthrene. 7-Methoxy-9,10-dihydrophenanthrene-2,5-diol is a natural product found in Dendrobium loddigesii, Pleione bulbocodioides, and other organisms with data available.
Equol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens 3-(4-Hydroxyphenyl)chroman-7-ol is a member of hydroxyisoflavans. (±)-Equol is the racemate of equol. (±)-equol exhibits EC50s of 200 and 74 nM for human ERα and ERβ, respectively. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
Elenaic acid
Isolated from olives (Olea europaea) leaves and fruits. Elenaic acid is found in many foods, some of which are herbs and spices, olive, fats and oils, and fruits. Elenaic acid is found in fats and oils. Elenaic acid is isolated from olives (Olea europaea) leaves and fruits.
Citrubuntin
Citrubuntin is found in citrus. Citrubuntin is a constituent of Citrus grandis (pummelo). Constituent of Citrus grandis (pummelo). Citrubuntin is found in citrus.
Genipinic acid
Genipinic acid is found in beverages. Genipinic acid is isolated from the jagua fruit Genipa americana. Isolated from the jagua fruit Genipa americana. Genipinic acid is found in beverages and fruits.
2,3-Dihydroxy-1,3-diphenyl-1-propanone
2,3-Dihydroxy-1,3-diphenyl-1-propanone is found in fats and oils. 2,3-Dihydroxy-1,3-diphenyl-1-propanone is a constituent of peanut oil Constituent of peanut oil. 2,3-Dihydroxy-1,3-diphenyl-1-propanone is found in fats and oils and nuts.
Telbivudine
Telbivudine is only found in individuals that have used or taken this drug. It is a synthetic thymidine nucleoside analog with specific activity against the hepatitis B virus. Telbivudine is orally administered, with good tolerance, lack of toxicity and no dose-limiting side effects.Telbivudine 5–triphosphate inhibits HBV DNA polymerase (reverse transcriptase) by competing with the natural substrate, thymidine 5–triphosphate. This leads to the chain termination of DNA synthesis, thereby inhibiting viral replication. Incorporation of telbivudine 5–triphosphate into viral DNA also causes DNA chain termination, resulting in inhibition of HBV replication. Telbivudine inhibits anticompliment or second-strand DNA. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Telbivudine (Epavudine), an orally active thymidine nucleoside analog, is a potent antiviral inhibitor of hepatitis B virus (HBV) replication[1].
1-Phenyl-6,7-dihydroxy-isochroman
1-Phenyl-6,7-dihydroxy-isochroman is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Phenethyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Phenethyl salicylate is used imitation fruit flavour It is used imitation fruit flavours
Guaicyl phenylacetate
Guaicyl phenylacetate is a flavouring ingredient. Flavouring ingredient
3-(3-Methylbut-2-enyl)naphthalene-1,2,4-trione
L-Thymidine
Isolated from seedlings of Phaseolus vulgaris (kidney bean)
lapachol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2]. Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2].
4-Vinylsyringol
4-vinylsyringol is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4-vinylsyringol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-vinylsyringol can be found in rape, which makes 4-vinylsyringol a potential biomarker for the consumption of this food product. 4-vinylsyringol is a phenolic compound found in crude canola oil. It is produced by decarboxylation of sinapic acid during canola seed roasting .
Taraxacine
Taraxacine is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. Taraxacine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Taraxacine can be found in dandelion, which makes taraxacine a potential biomarker for the consumption of this food product.
α-Lapachone
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors [Raw Data] CB137_alpha-Lapachone_pos_50eV_CB000049.txt D004791 - Enzyme Inhibitors [Raw Data] CB137_alpha-Lapachone_pos_40eV_CB000049.txt [Raw Data] CB137_alpha-Lapachone_pos_30eV_CB000049.txt [Raw Data] CB137_alpha-Lapachone_pos_20eV_CB000049.txt [Raw Data] CB137_alpha-Lapachone_pos_10eV_CB000049.txt α-Lapachone shows trypanocidal activity[1]. α-Lapachone shows trypanocidal activity[1].
1,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
2,3,4-Trihydroxy-3,5-dimethoxypropiophene
1-(Furan-3-yl)-3,3,6-trimethylcyclopenta[c]pyran-7-one
4-Methoxyresveratrol
5-[2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol is a stilbenoid. (E)-5-(4-Methoxystyryl)benzene-1,3-diol is a natural product found in Alpinia hainanensis, Rheum undulatum, and other organisms with data available. 4'-Methoxyresveratrol (4'-O-Methylresveratrol) is a polyphenol derived from Dipterocarpaceae, with antiandrogenic, antifungal and anti-inflammatory activities. 4'-Methoxyresveratrol alleviates AGE-induced inflammation through suppressing RAGE-mediated MAPK/NF-κB signaling pathway and NLRP3 inflammasome activation[1]. 4'-Methoxyresveratrol (4'-O-Methylresveratrol) is a polyphenol derived from Dipterocarpaceae, with antiandrogenic, antifungal and anti-inflammatory activities. 4'-Methoxyresveratrol alleviates AGE-induced inflammation through suppressing RAGE-mediated MAPK/NF-κB signaling pathway and NLRP3 inflammasome activation[1].
Equol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (±)-Equol is the racemate of equol. (±)-equol exhibits EC50s of 200 and 74 nM for human ERα and ERβ, respectively. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
2-(2-Cyanoacetyl)-N-(tetrahydrofuran-2-ylmethyl)hydrazine-1-carbothioamide
2,2,5-trimethyl-2h,8h-benzo[1,2-b:5,4-b]dipyran-8-one
CL-low|E-1-(2-phenoxyethenyl)-3-hydroxy-5-methoxybenzene|phenyl E-(3-hydroxy-5-methoxy)-styryl ether
(2S,3S,4S,7S,E)-3,4,7-trihydroxy-7-methyl-2-(prop-1-enyl)-3,4-dihydro-2H-furo[3,4-b]pyran-5(7H)-one|massarilactone D
2-Ac-(3E,5Z)-3,5-Tridecadiene-7,9,11--triyne-1,2-diol
(S)-Xanthorrhoeol|1-(5-hydroxy-2-methyl-2,3-dihydro-benzo[de]chromen-4-yl)-ethanone|Xanthorrhoeol
8-hydroxy-3-methyl-2-oxo-2,3,4a,5,8,8a-hexahydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester
4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthrene|lusianthridin
2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
(+-)?-2-Acetoxy-trideca-3t,11t-dien-5,7,9-triin-1-ol
dihydro-4-[4,5-epoxy-1-oxohex-2-enyloxymethyl]-3-hydroxy-2(3H)-furanone
1-Ac-(E,E)-3,5-Tridecadiene-7,9,11-triyne-1,2-diol
5-[2-(4-hydroxyphenyl)ethenyl]-2-methylbenzene-1,3-diol
5,9-dihydroxy-2-methyl-3,4-dihydroanthracen-1(2H)-one|menamesone A
4-hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione
1a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
2-Hydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one
1,3-Dimethoxy-7-methyl-1,3-dihydroisobenzofuran-4,5,6-triol
2,4-dioxo-cyclopentane-1,3-dicarboxylic acid diethyl ester
1-(2,6-dihydroxyphenyl)-3-phenylpropan-1-one|1-(2,6-dihydroxyphenyl)-3-phenylpropan-1-one
Viteralone
Viteralone is a natural product found in Vitex negundo with data available.
Tupichinol C
Tupichinol C is a natural product found in Soymida febrifuga and Broussonetia kazinoki with data available.
VPE3AOX9QV
Alpha-Lapachone is an organic heterotricyclic compound and an organooxygen compound. alpha-Lapachone is a natural product found in Firmiana simplex, Catalpa ovata, and other organisms with data available. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors α-Lapachone shows trypanocidal activity[1]. α-Lapachone shows trypanocidal activity[1].
Thymidine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.220 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.211 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.213 Thymidine, a specific precursor of deoxyribonucleic acid, is used as a cell synchronizing agent. Thymidine is a DNA synthesis inhibitor that can arrest cell at G1/S boundary, prior to DNA replication[1][2][3]. Thymidine, a specific precursor of deoxyribonucleic acid, is used as a cell synchronizing agent. Thymidine is a DNA synthesis inhibitor that can arrest cell at G1/S boundary, prior to DNA replication[1][2][3].
7-methoxy-9,10-dihydrophenanthrene-2,5-diol
C11H14O6_3,4,7-Trihydroxy-7-methyl-2-[(1E)-1-propen-1-yl]-2,3,4,7-tetrahydro-5H-furo[3,4-b]pyran-5-one
C15H14O3_3-[(E)-2-(3-Hydroxyphenyl)vinyl]-5-methoxyphenol
3-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxyphenol
fenoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors 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 C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Lumichrome
A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution. Lumichrome, a photodegradation product of Riboflavin, is an endogenous compound in humans. Lumichrome inhibits human lung cancer cell growth and induces apoptosis via a p53-dependent mechanism[1][2].
3-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxyphenol_major
β-Lapachone
β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression. β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.
2-(5-formyl-3,4-dihydro-2,2-dimethyl-2H-pyran-6-yl)-Benzoic acid
Epavudine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Telbivudine (Epavudine), an orally active thymidine nucleoside analog, is a potent antiviral inhibitor of hepatitis B virus (HBV) replication[1].
AKS-bbb/661
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
4-(difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldethyde
(4-OXO-6-PIPERAZIN-1-YL-4H-QUINAZOLIN-3-YL)-ACETICACID
TERT-BUTYL (4-(CHLOROMETHYL)PYRIDIN-2-YL)CARBAMATE
Benzylmandelate
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
(6-CHLOROMETHYL-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
2-Amino-4-(4-ethylphenyl)-5-methylthiophene-3-carbonitrile
2-Amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
1-(BENZO[D][1,3]DIOXOL-4-YL)PIPERAZINE HYDROCHLORIDE
5-METHOXY-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
5-METHOXY-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
5-METHOXY-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-METHOXY-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-METHOXY-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-METHOXY-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2-METHOXY-5-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
5-(3-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Phosphonic acid,(chloromethyl)-, dibutyl ester (6CI,7CI,8CI,9CI)
4-(2-CHLORO-6-FLUOROBENZYL)-3,5-DIMETHYL-1H-PYRAZOLE
4,4,4-TRIFLUORO-2-(2-METHOXYETHYL)-3-OXOBUTYRIC ACID ETHYL ESTER
ETHYL 1,2-DIHYDRONAPHTHO[2,1-B]FURAN-2-CARBOXYLATE
1,3-Cyclopentanedicarboxylicacid, 4,5-dioxo-, 1,3-diethyl ester
3-Buten-2-one, 4-hydroxy-4-(6-methoxy-2-naphthalenyl)-, (3Z)-
(E)-4-Hydroxy-4-(6-methoxynaphthalen-2-yl)but-3-en-2-one
BOC-Oxyma Ethyl 2-(tert-Butoxycarbonyloxyimino)-2-cyanoacetate
ethyl 4-tert-butyl-2-chloropyrimidine-5-carboxylate
(5ALPHA,6ALPHA)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINAN-3,6-DIYLBISPYRIDINE-3-CARBOXYLATEHYDROCHLORIDE
3-Amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol
2-(Cyclopentyloxy)-2-phenylacetic acid, sodium salt
ETHYL5-CYANO-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLATE
ETHYL5-CYANO-1-(PYRIDIN-4-YL)-1H-PYRAZOLE-4-CARBOXYLATE
N-(PIPERIDIN-3-YL)PYRAZINE-2-CARBOXAMIDE HYDROCHLORIDE
3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol
3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
tert-butyl N-[5-(chloromethyl)pyridin-2-yl]carbamate
1-(2-AZEPAN-1-YL-2-OXO-ETHYL)-1H-INDOLE-3-CARBALDEHYDE
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine
ETHYL 5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE-3-CARBOXYLATE HYDROCHLORIDE
2-Methyl-2-propanyl [(2-chloro-4-pyridinyl)methyl]carbamate
3-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxyl ic acid
iproclozide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Carbamic acid, (2-chloro-4-pyridinyl)Methyl-, 1,1-dimethylethyl ester (9CI)
1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
1-(2-Deoxy-β-D-threo-pentofuranosyl)thymine is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
5-Methyl-1-β-L-ribofuranosyl-2,4(1H,3H)-pyrimidinedione
1-(4-Fluorophenyl)-1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinecarbonitrile
ethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanoate
Trans-4-(3,4,5-trifluorophenyl)cyclohexanecarbaldehyde
1-(2-HYDROXY-2-PHENYLETHYL)PIPERIDINE-4-CARBOXAMIDE
1-(Pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
2-((TERT-BUTOXYCARBONYLAMINO)METHYL)OXAZOLE-4-CARBOXYLIC ACID
TERT-BUTYL ((6-CHLOROPYRIDIN-3-YL)METHYL)CARBAMATE
5-Pyrimidinecarboxamide, 4-amino-2-(ethylthio)-N-Methoxy-N-Methyl-
2-(2-Benzoxazolylamino)-6-methylpyrimidin-4(3H)-one
Telbivudine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Telbivudine (Epavudine), an orally active thymidine nucleoside analog, is a potent antiviral inhibitor of hepatitis B virus (HBV) replication[1].
Tecomin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2]. Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2].
EU-0100717
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression. β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.
Thymidine-methyl-T
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,4,7-trihydroxy-7-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-furo[3,4-b]pyran-5-one
methyl [(2S)-4-butanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetate
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoic acid
(2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-2-cyanoethyl]amino]-5-oxopentanoate
4-Hydroxy-5-(2,4,5-trihydroxyphenyl)pentanoic acid
Phenethyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
7,8-dimethylisoalloxazine
A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8.
methyl (1s,4r,7s,8r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
methyl (1r,4r,7s,8s,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
4,5-dimethyl-8-oxo-5h,6h,7h-naphtho[2,3-b]furan-3-carbaldehyde
4-methoxy-3-methyl-6-[(1e)-2-phenylethenyl]pyran-2-one
methyl (1s,4r,7s,8s,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
7-methoxy-8-(3-methylbuta-1,3-dien-1-yl)chromen-2-one
6-hydroxy-5-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyran-2-one
(1s,3s,4s,7r,10s,11s)-3-hydroxy-10-(hydroxymethyl)-10-methoxy-2,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-8-one
methyl (1r,4ar,7ar)-1,7a-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h-cyclopenta[c]pyran-4-carboxylate
7-methoxy-8-[(1e)-3-methylbuta-1,3-dien-1-yl]chromen-2-one
[(3s,4s)-4-hydroxy-5-oxooxolan-3-yl]methyl (2e)-3-[(2r,3s)-3-methyloxiran-2-yl]prop-2-enoate
(2r)-5,9-dihydroxy-2-methyl-3,4-dihydro-2h-anthracen-1-one
(2s,3e,5e)-2-hydroxytrideca-3,5-dien-7,9,11-triyn-1-yl acetate
(4r)-4,8,12-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13)-tetraene-10,11-dione
methyl (1r,4r,7s,8r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
4-methoxy-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol
methyl (3r,4as,8r,8as)-8-hydroxy-3-methyl-2-oxo-4a,5,8,8a-tetrahydro-3h-1,4-benzodioxine-6-carboxylate
7-methoxy-8-[(1z)-3-methylbuta-1,3-dien-1-yl]chromen-2-one
methyl (3s,4ar,8s,8ar)-8-hydroxy-3-methyl-2-oxo-4a,5,8,8a-tetrahydro-3h-1,4-benzodioxine-6-carboxylate
methyl 1-hydroxy-8-methyl-6-oxo-1h,4ah,5h,8h,8ah-pyrano[3,4-c]pyran-4-carboxylate
[(3r,4r,5r)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-yl]methyl (2e)-but-2-enoate
2-hydroxytrideca-3,11-dien-5,7,9-triyn-1-yl acetate
(2r)-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(1r)-1,5,8-trimethyl-1h,2h-naphtho[2,1-b]furan-6,7-dione
1-[(3s)-7-hydroxy-3-methyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-6-yl]ethanone
methyl (1s,4as,8s,8as)-1-hydroxy-8-methyl-6-oxo-1h,4ah,5h,8h,8ah-pyrano[3,4-c]pyran-4-carboxylate
1,3-diphenylpropane-1,2-diol-3-one
{"Ingredient_id": "HBIN001224","Ingredient_name": "1,3-diphenylpropane-1,2-diol-3-one","Alias": "NA","Ingredient_formula": "C15H14O3","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6488","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2, 7-dihydroxy-4-methoxy-9, 10-dihydroxyphenanthrene
{"Ingredient_id": "HBIN005016","Ingredient_name": "2, 7-dihydroxy-4-methoxy-9, 10-dihydroxyphenanthrene","Alias": "NA","Ingredient_formula": "C15H14O3","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)CCC3=C2C(=CC=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41959","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
