Exact Mass: 244.0827

Exact Mass Matches: 244.0827

Found 390 metabolites which its exact mass value is equals to given mass value 244.0827, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

3,3',4'5-Tetrahydroxystilbene

(E)-4-[2-(3,5Dihydroxyphenyl)ethenyl]1,2-benzenediol, 3,3a?4,5a?Tetrahydroxy-trans-stilbene

C14H12O4 (244.0736)


Piceatannol is a stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. It has a role as a protein kinase inhibitor, a tyrosine kinase inhibitor, an antineoplastic agent, a plant metabolite, a hypoglycemic agent, an apoptosis inducer and a geroprotector. It is a stilbenol, a member of resorcinols, a member of catechols and a polyphenol. It derives from a hydride of a trans-stilbene. Piceatannol is a natural product found in Vitis amurensis, Smilax bracteata, and other organisms with data available. Piceatannol is a polyhydroxylated stilbene extract from the seeds of Euphorbia lagascae, which inhibits protein tyrosine kinase Syk and induces apoptosis. (NCI) Piceatannol is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Wine grape (part of); Robinia pseudoacacia whole (part of); Tsuga canadensis bark (part of). 3,3,45-Tetrahydroxystilbene (or Piceatannol) is a phenolic stilbenoid. It is a metabolite of resveratrol found in red wine. A viral protein-tyrosine kinase (LMP2A) implicated in leukemia, non-Hodgkins lymphoma and other diseases associated with Epstein-Barr virus, was recently found to be blocked by picetannol in vitro (PMID 2590224). Therefore there is research interest in piceatannol as an anti-cancer and anti-EBV drug. Piceatannol can also act as an agonist for estrogen receptor alpha in human breast cancer cells (PMID: 16216908). [HMDB] 3,3,45-Tetrahydroxystilbene (or Piceatannol) is a phenolic stilbenoid. It is a metabolite of resveratrol found in red wine. A viral protein-tyrosine kinase (LMP2A) implicated in leukemia, non-Hodgkins lymphoma and other diseases associated with Epstein-Barr virus, was recently found to be blocked by picetannol in vitro (PMID 2590224). Therefore there is research interest in piceatannol as an anti-cancer and anti-EBV drug. Piceatannol can also act as an agonist for estrogen receptor alpha in human breast cancer cells (PMID: 16216908). A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4]. Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4].

   

Gnetol

2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

C14H12O4 (244.0736)


Gnetol is a natural product found in Gnetum edule, Gnetum hainanense, and other organisms with data available. Gnetol is a phenolic compound isolated from the root of Gnetum montanum . Gnetol potently inhibits COX-1 (IC50 of 0.78 μM) and HDAC. Gnetol is a potent tyrosinase inhibitor with an IC50 of 4.5 μM for murine tyrosinase and suppresses melanin biosynthesis. Gnetol has antioxidant, antiproliferative, anticancer and hepatoprotective activity. Gnetol also possesses concentration-dependent α-Amylase, α-glucosidase, and adipogenesis activities[1][2][3]. Gnetol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=86361-55-9 (retrieved 2024-12-11) (CAS RN: 86361-55-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Biotin

Biotin, powder, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=99\\%

C10H16N2O3S (244.0882)


Biotin (also known as vitamin B7 or vitamin H) is one of the B vitamins.[1][2][3] It is involved in a wide range of metabolic processes, both in humans and in other organisms, primarily related to the utilization of fats, carbohydrates, and amino acids.[4] The name biotin, borrowed from the German Biotin, derives from the Ancient Greek word βίοτος (bíotos; 'life') and the suffix "-in" (a suffix used in chemistry usually to indicate 'forming').[5] Biotin appears as a white, needle-like crystalline solid.[6] Biotin is an organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. It has a role as a prosthetic group, a coenzyme, a nutraceutical, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite, a cofactor and a fundamental metabolite. It is a member of biotins and a vitamin B7. It is a conjugate acid of a biotinate. A water-soluble, enzyme co-factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Biotin is a natural product found in Lysinibacillus sphaericus, Aspergillus nidulans, and other organisms with data available. Biotin is hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid. Growth factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. The biotin content of cancerous tissue is higher than that of normal tissue. Biotin is an enzyme co-factor present in minute amounts in every living cell. Biotin is also known as vitamin H or B7 or coenzyme R. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin has been recognized as an essential nutrient. Our biotin requirement is fulfilled in part through diet, through endogenous reutilization of biotin and perhaps through capture of biotin generated in the intestinal flora. The utilization of biotin for covalent attachment to carboxylases and its reutilization through the release of carboxylase biotin after proteolytic degradation constitutes the biotin cycle. Biotin deficiency is associated with neurological manifestations, skin rash, hair loss and metabolic disturbances that are thought to relate to the various carboxylase deficiencies (metabolic ketoacidosis with lactic acidosis). It has also been suggested that biotin deficiency is associated with protein malnutrition, and that marginal biotin deficiency in pregnant women may be teratogenic. Biotin acts as a carboxyl carrier in carboxylation reactions. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC) and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a Lysine residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC) and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a Lys residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. Evidence is emerging that biotin participates in processes other than classical carboxylation reactions. Specifically, novel roles for biotin in cell signaling, gene expression, and chromatin structure have been identified in recent years. Human cells accumulate biotin by using both the sodium-dependent multivitamin transporter and monocarboxylate transporter 1. These transporters and other biotin-binding proteins partition biotin to compartments involved in biotin signaling: cytoplasm, mitochondria, and nuclei. The activity of cell signals such as biotinyl-AMP, Sp1 and Sp3, nuclear factor (NF)-kappaB, and receptor tyrosine kinases depends on biotin supply. Consistent with a role for biotin and its catabolites in ... Biotin is an enzyme co-factor present in minute amounts in every living cell. Biotin is also known as coenzyme R and vitamin H or B7. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin has been recognized as an essential nutrient. Humans fulfill their biotin requirement through their diet through endogenous reutilization of biotin and perhaps through the capture of biotin generated in the intestinal flora. The utilization of biotin for covalent attachment to carboxylases and its reutilization through the release of carboxylase biotin after proteolytic degradation constitutes the biotin cycle. Biotin deficiency is associated with neurological manifestations, skin rash, hair loss, and metabolic disturbances that are thought to relate to the various carboxylase deficiencies (metabolic ketoacidosis with lactic acidosis). It has also been suggested that biotin deficiency is associated with protein malnutrition, and that marginal biotin deficiency in pregnant women may be teratogenic. Biotin acts as a carboxyl carrier in carboxylation reactions. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC), and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a lysine residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. Evidence is emerging that biotin participates in processes other than classical carboxylation reactions. Specifically, novel roles for biotin in cell signalling, gene expression, and chromatin structure have been identified in recent years. Human cells accumulate biotin by using both the sodium-dependent multivitamin transporter and monocarboxylate transporter 1. These transporters and other biotin-binding proteins partition biotin to compartments involved in biotin signalling: cytoplasm, mitochondria, and nuclei. The activity of cell signals such as biotinyl-AMP, Sp1 and Sp3, nuclear factor (NF)-kappaB, and receptor tyrosine kinases depends on biotin supply. Consistent with a role for biotin and its catabolites in modulating these cell signals, greater than 2000 biotin-dependent genes have been identified in various human tissues. Many biotin-dependent gene products play roles in signal transduction and localize to the cell nucleus, consistent with a role for biotin in cell signalling. Posttranscriptional events related to ribosomal activity and protein folding may further contribute to the effects of biotin on gene expression. Finally, research has shown that biotinidase and holocarboxylase synthetase mediate covalent binding of biotin to histones (DNA-binding proteins), affecting chromatin structure; at least seven biotinylation sites have been identified in human histones. Biotinylation of histones appears to play a role in cell proliferation, gene silencing, and the cellular response to DNA repair. Roles for biotin in cell signalling and chromatin structure are consistent with the notion that biotin has a unique significance in cell biology (PMID: 15992684, 16011464). Present in many foods; particularly rich sources include yeast, eggs, liver, certain fish (e.g. mackerel, salmon, sardines), soybeans, cauliflower and cow peas. Dietary supplement. Isolated from various higher plant sources, e.g. sweet corn seedlings and radish leaves An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. [Raw Data] CB004_Biotin_pos_50eV_CB000006.txt [Raw Data] CB004_Biotin_pos_30eV_CB000006.txt [Raw Data] CB004_Biotin_pos_40eV_CB000006.txt [Raw Data] CB004_Biotin_pos_20eV_CB000006.txt [Raw Data] CB004_Biotin_pos_10eV_CB000006.txt [Raw Data] CB004_Biotin_neg_10eV_000006.txt [Raw Data] CB004_Biotin_neg_20eV_000006.txt Biosynthesis Biotin, synthesized in plants, is essential to plant growth and development.[22] Bacteria also synthesize biotin,[23] and it is thought that bacteria resident in the large intestine may synthesize biotin that is absorbed and utilized by the host organism.[18] Biosynthesis starts from two precursors, alanine and pimeloyl-CoA. These form 7-keto-8-aminopelargonic acid (KAPA). KAPA is transported from plant peroxisomes to mitochondria where it is converted to 7,8-diaminopelargonic acid (DAPA) with the help of the enzyme, BioA. The enzyme dethiobiotin synthetase catalyzes the formation of the ureido ring via a DAPA carbamate activated with ATP, creating dethiobiotin with the help of the enzyme, BioD, which is then converted into biotin which is catalyzed by BioB.[24] The last step is catalyzed by biotin synthase, a radical SAM enzyme. The sulfur is donated by an unusual [2Fe-2S] ferredoxin.[25] Depending on the species of bacteria, Biotin can be synthesized via multiple pathways.[24] Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin, vitamin B7 and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3].

   

Azacitidine

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one

C8H12N4O5 (244.0808)


Azacitidine is only found in individuals that have used or taken this drug. It is a pyrimidine nucleoside analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent. [PubChem]Azacitidine (5-azacytidine) is a chemical analogue of the cytosine nucleoside used in DNA and RNA. Azacitidine is thought to induce antineoplastic activity via two mechanisms; inhibition of DNA methyltransferase at low doses, causing hypomethylation of DNA, and direct cytotoxicity in abnormal hematopoietic cells in the bone marrow through its incorporation into DNA and RNA at high doses, resulting in cell death. As azacitidine is a ribonucleoside, it incoporates into RNA to a larger extent than into DNA. The incorporation into RNA leads to the dissembly of polyribosomes, defective methylation and acceptor function of transfer RNA, and inhibition of the production of protein. Its incorporation into DNA leads to a covalent binding with DNA methyltransferases, which prevents DNA synthesis and subsequent cytotoxicity. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 5-Azacytidine (Azacitidine; 5-AzaC; Ladakamycin) is a nucleoside analogue of cytidine that specifically inhibits DNA methylation. 5-Azacytidine is incorporated into DNA to covalently trap DNA methyltransferases and contributes to reverse epigenetic changes[1][2]. 5-Azacytidine induces cell autophagy[4].

   

Flurbiprofen

(±)-2-fluoro-α-methyl-[1,1-biphenyl]-4-acetic acid

C15H13FO2 (244.09)


Flurbiprofen, a propionic acid derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with antipyretic and analgesic activity. Oral formulations of flurbiprofen may be used for the symptomatic treatment of rheumatoid arthritis, osteoarthritis and anklylosing spondylitis. Flurbiprofen may also be used topically prior to ocular surgery to prevent or reduce intraoperative miosis. Flurbiprofen is structurally and pharmacologically related to fenoprofen, ibuprofen, and ketoprofen. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

Dioxybenzone

2-(2-hydroxybenzoyl)-5-methoxyphenol

C14H12O4 (244.0736)


C1892 - Chemopreventive Agent > C851 - Sunscreen Same as: D03853

   

Metiamide

3-methyl-1-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)thiourea

C9H16N4S2 (244.0816)


Metiamide belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Metiamide (SK&F 92058) is a histamine H2-receptor antagonist developed from another H2 antagonist, burimamide.

   

(2E,11Z)-Wyerone acid

(2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid

C14H12O4 (244.0736)


(2E,11Z)-Wyerone acid is found in pulses. (2E,11Z)-Wyerone acid is isolated from broad bean leaves (Vicia faba) infected with Botrytis specie Isolated from broad bean leaves (Vicia faba) infected with Botrytis subspecies (2E,11Z)-Wyerone acid is found in pulses.

   

Eriobofuran

4,6-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-5-ol

C14H12O4 (244.0736)


Phytoalexin from the leaves of Eriobotrya japonica (loquat). Eriobofuran is found in loquat and fruits. Eriobofuran is found in fruits. Phytoalexin from the leaves of Eriobotrya japonica (loquat).

   

Fulvoplumierin

Fulvoplumierin

C14H12O4 (244.0736)


   

Oxyresveratrol

4-[2-(3,5-Dihydroxyphenyl)vinyl]-1,3-benzenediol

C14H12O4 (244.0736)


Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4]. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4].

   

Methylstyrylpyron

Methylstyrylpyron

C14H12O4 (244.0736)


   

Carbapenem biosynthesis intermediate 2

Carbapenem biosynthesis intermediate 2

C10H16N2O3S (244.0882)


   

Ribavirin

Ribavirin

C8H12N4O5 (244.0808)


J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 2860 Ribavirin (ICN-1229) is an antiviral agent against a broad spectrum of viruses including HCV, HIVl, and RSV. Ribavirin also has anti-orthopoxvirus and anti-variola activities.

   

CGP 57380

N3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

C11H9FN6 (244.0873)


   

Ribavirin

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide

C8H12N4O5 (244.0808)


Ribavirin is only found in individuals that have used or taken this drug. It is a nucleoside antimetabolite antiviral agent that blocks nucleic acid synthesis and is used against both RNA and DNA viruses. [PubChem]Ribavirin is readily phosphorylated intracellularly by adenosine kinase to ribavirin mono-, di-, and triphosphate metabolites. Ribavirin triphosphate (RTP) is a potent competitive inhibitor of inosine monophosphate (IMP) dehydrogenase, viral RNA polymerase and messenger RNA (mRNA) guanylyltransferase (viral) and can be incorporated into RNA in RNA viral species. Guanylyltranserase inhibition stops the capping of mRNA. These diverse effects result in a marked reduction of intracellular guanosine triphosphate (GTP) pools and inhibition of viral RNA and protein synthesis. Ribavirin is also incorporated into the viral genome causing lethal mutagenesis and a subsequent decrease in specific viral infectivity. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Ribavirin (ICN-1229) is an antiviral agent against a broad spectrum of viruses including HCV, HIVl, and RSV. Ribavirin also has anti-orthopoxvirus and anti-variola activities.

   

Graveolone

13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),6,9-tetraene-5,11-dione

C14H12O4 (244.0736)


Constituent of Anethum graveolens (dill). Graveolone is found in dill, herbs and spices, and parsley. Graveolone is found in herbs and spices. Graveolone is a constituent of Anethum graveolens (dill).

   

(R)-Apiumetin

9-hydroxy-2-(prop-1-en-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one

C14H12O4 (244.0736)


(R)-Apiumetin is found in green vegetables. (R)-Apiumetin is a constituent of the seeds of Apium graveolens. Constituent of the seeds of Apium graveolens. (R)-Apiumetin is found in green vegetables.

   

Haematopodin

6-oxa-2,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),9,12(16)-triene-13,14-dione

C13H12N2O3 (244.0848)


Haematopodin is found in root vegetables. Haematopodin is a pigment from fruiting bodies of the toadstool Mycena haematopus (blood mycena). Pigment from fruiting bodies of the toadstool Mycena haematopus (blood mycena). Haematopodin is found in root vegetables.

   

Suberenone

7-Methoxy-6-(3-oxo-1-butenyl)-2H-1-benzopyran-2-one, 9ci

C14H12O4 (244.0736)


Suberenone is found in herbs and spices. Suberenone is a constituent of Ruta graveolens (rue)

   

9,10-Dihydro-2,3,5,7-Phenanthrenetetrol

2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene

C14H12O4 (244.0736)


9,10-Dihydro-2,3,5,7-Phenanthrenetetrol is found in root vegetables. 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol is isolated from Dioscorea bulbifera (air potato). Isolated from Dioscorea bulbifera (air potato). 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol is found in root vegetables.

   

Indolylacryloylglycine

2-{[(2E)-1-hydroxy-3-(1H-indol-3-yl)prop-2-en-1-ylidene]amino}acetic acid

C13H12N2O3 (244.0848)


Indolylacryloylglycine (IAG) is a compound that is derived, in the same way as many other indole compounds, from tryptophan or indole compounds in the diet. It is likely a product of gut metabolism although the exact source is still unclear. IAG is elevated in the urine of autistic children with gastrointestinal disturbances. Indolylacryloylglycine (IAG) is a compound that is derived, in the same way as many other indole compounds, from tryptophan or indole compounds in the diet as it is impossible for the body to make these basics. IAG is found in the urine but the source within the body is unclear. [HMDB]

   

1-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide

C8H12N4O5 (244.0808)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites

   

3'-DEOXY-3'-FLUOROTHYMIDINE

1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

C10H13FN2O4 (244.0859)


D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents

   

4-(4-Hydroxyphenoxy)phenylacetic acid

2-[4-(4-hydroxyphenoxy)phenyl]acetic acid

C14H12O4 (244.0736)


   

3-Hydroxybenz[a]anthracene

3-Hydroxybenz[a]anthracene

C18H12O (244.0888)


   

5'-Azacytidine

4-amino-1-[3,4-dihydroxy-5-(hydroxyamino)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

C8H12N4O5 (244.0808)


   

Amidephrine

N-{3-[1-hydroxy-2-(methylamino)ethyl]phenyl}methanesulphonamide

C10H16N2O3S (244.0882)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists

   

arabinofuranosyl-5-azacytosine

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one

C8H12N4O5 (244.0808)


   

Bioepiderm

5-{2-hydroxy-1H,3aH,4H,6H,6aH-thieno[3,4-d]imidazol-6-yl}pentanoic acid

C10H16N2O3S (244.0882)


   

Phthalimidinoglutarimide

3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

C13H12N2O3 (244.0848)


   

4-Amino-1-(6-aminopurin-9-yl)pyrimidin-2-one

4-amino-1-(6-amino-9H-purin-9-yl)-1,2-dihydropyrimidin-2-one

C9H8N8O (244.0821)


   

Piceatannol

4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol

C14H12O4 (244.0736)


Piceatannol, also known as (Z)-3,5,3,4-tetrahydroxystilbene, 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. Piceatannol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Piceatannol can be synthesized from cis-stilbene. Piceatannol can also be synthesized into cis-astringin. Piceatannol can be found in common grape and grape wine, which makes piceatannol a potential biomarker for the consumption of these food products. Piceatannol is a stilbenoid, a type of phenolic compound .

   

Cotoin

Monomethylaether der 2,4,6-trioxybenzophenon [German]

C14H12O4 (244.0736)


   

4-Hydroxydehydrokawain

2H-Pyran-2-one, 6-(2-(4-hydroxyphenyl)ethenyl)-4-methoxy-, (E)-

C14H12O4 (244.0736)


6-[(e)-2-(4-Hydroxyphenyl)ethenyl]-4-methoxypyran-2-one is a natural product found in Alpinia blepharocalyx, Anaphalis sinica, and Alpinia roxburghii with data available.

   

Oxyresveratrol

(oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,3-diol

C14H12O4 (244.0736)


Oxyresveratrol is a stilbenoid. Oxyresveratrol is a natural product found in Spirotropis longifolia, Melaleuca leucadendra, and other organisms with data available. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4]. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4].

   

Cearoin

(2,5-dihydroxy-4-methoxyphenyl)(phenyl)methanone

C14H12O4 (244.0736)


(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone is a member of benzophenones. Cearoin is a natural product found in Dalbergia cochinchinensis, Pterocarpus santalinus, and other organisms with data available.

   

SCHEMBL2255488

SCHEMBL2255488

C14H12O4 (244.0736)


   

2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

C14H12O4 (244.0736)


   

A 1211b

(-)-2,3-Dihydro-6-methoxy-2-methyl-naphtho[1,2-b]furan-4,5-dione

C14H12O4 (244.0736)


   
   

Alloxanthoxyletol

Alloxanthoxyletol

C14H12O4 (244.0736)


   

Cedrecoumarin A

Cedrecoumarin A

C14H12O4 (244.0736)


   

5-Hydroxyseselin

5-Hydroxy-8,8-dimethylpyrano[2,3-f]chromen-2(8H)-one

C14H12O4 (244.0736)


5-Hydroxyseselin is a natural product found in Metrodorea flavida, Citrus sulcata, and Citrus tamurana with data available.

   
   

2,2,3,3-Tetrahydroxystilbene

2,2,3,3-Tetrahydroxystilbene

C14H12O4 (244.0736)


   

Belamphenone

Belamphenone

C14H12O4 (244.0736)


   

Norbraylin

Norbraylin

C14H12O4 (244.0736)


Origin: Plant, Coumarins

   

2,6-Dihydroxy-4-methoxybenzophenone

(2,6-dihydroxy-4-methoxyphenyl)(phenyl)methanone

C14H12O4 (244.0736)


   
   

P-HYDROXY-5,6-DEHYDROKAWAIN

P-HYDROXY-5,6-DEHYDROKAWAIN

C14H12O4 (244.0736)


   

Wyerone acid

Wyerone acid

C14H12O4 (244.0736)


   

2,4-Dihydroxy-5-methoxybenzophenone

2,4-Dihydroxy-5-methoxybenzophenone

C14H12O4 (244.0736)


   

Dimethyl 2,6-naphthalenedicarboxylate

Dimethyl 2,6-naphthalenedicarboxylate

C14H12O4 (244.0736)


   

ACMC-20lrjr

ACMC-20lrjr

C14H12O4 (244.0736)


   

1,4-Diacetoxynaphthalene

1,4-Diacetoxynaphthalene

C14H12O4 (244.0736)


   

cis-Osthenon|cis-Osthenone

cis-Osthenon|cis-Osthenone

C14H12O4 (244.0736)


   

1,4-dicarbomethoxyazulene

1,4-dicarbomethoxyazulene

C14H12O4 (244.0736)


   

2-acetyl-8-methoxy-3-methylnaphthoquinone

2-acetyl-8-methoxy-3-methylnaphthoquinone

C14H12O4 (244.0736)


   

Demethylluvangetin

Demethylluvangetin

C14H12O4 (244.0736)


   

Benzyl 2,5-dihydroxybenzoate

Benzyl 2,5-dihydroxybenzoate

C14H12O4 (244.0736)


A benzoate ester resulting from the formal condensation of the carboxy group of 2,5-dihydroxybenzoic acid with the hydroxy group of phenylmethanol.

   

BENZO(1,2-b:5,4-b)DIFURAN-4,8-DIONE, 2,3-DIHYDRO-2-ISOPROPENYL-5-METHYL-, (-)-

BENZO(1,2-b:5,4-b)DIFURAN-4,8-DIONE, 2,3-DIHYDRO-2-ISOPROPENYL-5-METHYL-, (-)-

C14H12O4 (244.0736)


   

3-(7-Methoxy-1,3-benzodioxol-5-yl)phenol

3-(7-Methoxy-1,3-benzodioxol-5-yl)phenol

C14H12O4 (244.0736)


   

eleutherinone

eleutherinone

C14H12O4 (244.0736)


   

5-Hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one

5-Hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one

C14H12O4 (244.0736)


   
   

(9R)-4-methoxy-9H-fluoren-2,5,9-triol|denchrysan B

(9R)-4-methoxy-9H-fluoren-2,5,9-triol|denchrysan B

C14H12O4 (244.0736)


   

OC1=C(C(=O)C2=CC=CC=C2)C(=CC(=C1C)O)O

OC1=C(C(=O)C2=CC=CC=C2)C(=CC(=C1C)O)O

C14H12O4 (244.0736)


   
   

SCHEMBL18784625

SCHEMBL18784625

C14H12O4 (244.0736)


   

(2-hydroxy-4-methoxyphenyl)(4-hydroxyphenyl)methanone

(2-hydroxy-4-methoxyphenyl)(4-hydroxyphenyl)methanone

C14H12O4 (244.0736)


   

2-(1-hydroxyethyl)-naphtho<2,3-b>furan-4,9-dione

2-(1-hydroxyethyl)-naphtho<2,3-b>furan-4,9-dione

C14H12O4 (244.0736)


   

7-hydroxyalloxanthyletin

7-hydroxyalloxanthyletin

C14H12O4 (244.0736)


   

(Z)-form-9-Tetradecene-2,4,6-triynedioic acid,|cis-Tetradec-9-en-2,4,6-triindisaeure

(Z)-form-9-Tetradecene-2,4,6-triynedioic acid,|cis-Tetradec-9-en-2,4,6-triindisaeure

C14H12O4 (244.0736)


   

2,3,4,5-tetrahydroxystilbene

2,3,4,5-tetrahydroxystilbene

C14H12O4 (244.0736)


   

Benzyl 2,6-dihydroxybenzoate

Benzyl 2,6-dihydroxybenzoate

C14H12O4 (244.0736)


   

1-Hydroxychrysene

1-Hydroxychrysene

C18H12O (244.0888)


   

ACMC-20meyk

ACMC-20meyk

C14H12O4 (244.0736)


   

2-benzyl-4,6-dihydroxybenzoic acid

2-benzyl-4,6-dihydroxybenzoic acid

C14H12O4 (244.0736)


   

1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone

1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone

C14H12O4 (244.0736)


   

3-Hydroxyxanthyletin

3-Hydroxyxanthyletin

C14H12O4 (244.0736)


3-Hydroxyxanthyletin is a natural product found in Boronia algida with data available.

   

CHEMBL3093476

CHEMBL3093476

C14H12O4 (244.0736)


   

4-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-diol

4-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-diol

C14H12O4 (244.0736)


   

3,6,9-trihydroxy-3,4-dihydroanthracen-1(2h)-one

3,6,9-trihydroxy-3,4-dihydroanthracen-1(2h)-one

C14H12O4 (244.0736)


   

Oreoselone

Oreoselone

C14H12O4 (244.0736)


Origin: Plant, Coumarins

   

(E)-3-(3,5-dihydroxystyryl)benzene-1,2-diol|smiglastilbene

(E)-3-(3,5-dihydroxystyryl)benzene-1,2-diol|smiglastilbene

C14H12O4 (244.0736)


   

6-(4-hydroxy-3-methoxy-styryl)-pyran-2-one

6-(4-hydroxy-3-methoxy-styryl)-pyran-2-one

C14H12O4 (244.0736)


   

Benzyl 2,3-dihydroxybenzoate

Benzyl 2,3-dihydroxybenzoate

C14H12O4 (244.0736)


   
   

Murralongin

Murralongin

C14H12O4 (244.0736)


   

2,3,2,3-Tetrahydroxystilben

2,3,2,3-Tetrahydroxystilben

C14H12O4 (244.0736)


   

(2,4-dihydroxyphenyl)-(3-methoxyphenyl)methanone

(2,4-dihydroxyphenyl)-(3-methoxyphenyl)methanone

C14H12O4 (244.0736)


   

Oroselol

2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-hydroxy-1-methylethyl)-

C14H12O4 (244.0736)


   

ACMC-20lrjs

ACMC-20lrjs

C14H12O4 (244.0736)


   

Harmalinic acid

Harmalinic acid

C13H12N2O3 (244.0848)


   

Nachsmyrin|Nakhsmyrin

Nachsmyrin|Nakhsmyrin

C14H12O4 (244.0736)


   

Me ether-6-Acetyl-5-hydroxy-7-methyl-1,4-naphthoquinone

Me ether-6-Acetyl-5-hydroxy-7-methyl-1,4-naphthoquinone

C14H12O4 (244.0736)


   

Clematichinenol

Clematichinenol

C14H12O4 (244.0736)


   
   

SCHEMBL94305

SCHEMBL94305

C14H12O4 (244.0736)


   
   

DTXSID20781622

DTXSID20781622

C14H12O4 (244.0736)


   

anhydrorutaretin

anhydrorutaretin

C14H12O4 (244.0736)


   
   

Benz(a)anthracen-4-ol

Benz(a)anthracen-4-ol

C18H12O (244.0888)


   

6-hydroxy-8-(prop-1-en-2-yl)-8,9-dihydro-2h-furo-[2,3-h]chromen-2-one

6-hydroxy-8-(prop-1-en-2-yl)-8,9-dihydro-2h-furo-[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

Di-Me ether-Sorigenin

Di-Me ether-Sorigenin

C14H12O4 (244.0736)


   

(2,3-dihydroxy-4-methoxyphenyl)(phenyl)methanone

(2,3-dihydroxy-4-methoxyphenyl)(phenyl)methanone

C14H12O4 (244.0736)


   

orbraylin

6-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one

C14H12O4 (244.0736)


Norbraylin is a natural product found in Zanthoxylum asiaticum and Cedrelopsis grevei with data available.

   

Eleutherol

Naphtho(2,3-c)furan-1(3H)-one, 4-hydroxy-5-methoxy-3-methyl-, (R)-

C14H12O4 (244.0736)


Eleutherol is a naphthofuran. Eleutherol is a natural product found in Sisyrinchium palmifolium and Eleutherine bulbosa with data available. [Raw Data] CBA05_Eleutherol_neg_50eV000002.txt [Raw Data] CBA05_Eleutherol_neg_40eV000002.txt [Raw Data] CBA05_Eleutherol_neg_30eV000002.txt [Raw Data] CBA05_Eleutherol_neg_20eV000002.txt [Raw Data] CBA05_Eleutherol_neg_10eV000002.txt [Raw Data] CBA05_Eleutherol_pos_50eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_40eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_30eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_20eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_10eV_000002.txt

   

Benzophenone-8

Benzophenone-8

C14H12O4 (244.0736)


CONFIDENCE Reference Standard (Level 1)

   

Biotin

d-biotin

C10H16N2O3S (244.0882)


A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2876; ORIGINAL_PRECURSOR_SCAN_NO 2873 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2877; ORIGINAL_PRECURSOR_SCAN_NO 2875 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2896; ORIGINAL_PRECURSOR_SCAN_NO 2894 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2875; ORIGINAL_PRECURSOR_SCAN_NO 2872 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2894; ORIGINAL_PRECURSOR_SCAN_NO 2891 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2908; ORIGINAL_PRECURSOR_SCAN_NO 2906 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6231; ORIGINAL_PRECURSOR_SCAN_NO 6229 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6248; ORIGINAL_PRECURSOR_SCAN_NO 6246 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6251; ORIGINAL_PRECURSOR_SCAN_NO 6246 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6253; ORIGINAL_PRECURSOR_SCAN_NO 6251 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6265; ORIGINAL_PRECURSOR_SCAN_NO 6263 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6256; ORIGINAL_PRECURSOR_SCAN_NO 6253 CONFIDENCE standard compound; INTERNAL_ID 219 INTERNAL_ID 219; CONFIDENCE standard compound relative retention time with respect to 9-anthracene Carboxylic Acid is 0.474 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.471 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.469 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.470 Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin, vitamin B7 and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3].

   

flurbiprofen

2-Fluoro-α-methyl-4-biphenylacetic Acid

C15H13FO2 (244.09)


M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

Biotin (Vitamin B7)

Biotin (Vitamin B7)

C10H16N2O3S (244.0882)


   

8,8-Dimethyl-10H-pyrano[2,3-f]chromen-2,9-dione

"NCGC00160233-01!8,8-Dimethyl-10H-pyrano[2,3-f]chromen-2,9-dione"

C14H12O4 (244.0736)


   
   
   

8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one

NCGC00385867-01!8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

NCGC00169713-02!4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

C14H12O4 (244.0736)


   

Piceatannol

1,2-Benzenediol, {4-[2-(3,} 5-dihydroxyphenyl)ethenyl]-, (E)-

C14H12O4 (244.0736)


C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4]. Piceatannol is a well-known Syk inhibitor and reduces the expression of iNOS induced by TNF. Piceatannol is an effective agent for research of acute lung injury (ALI)[1]. Piceatannol is a naturally occurring polyphenolic stilbene found in various fruits and vegetables and exhibits anticancer and anti-inflammatory properties[2]. Piceatannol induces apoptosis in DLBCL cell lines[3]. Piceatannol induces autophagy and apoptosis in MOLT-4 human leukemia cells[4].

   

p-cyano benzoyl proline

p-cyano benzoyl proline

C13H12N2O3 (244.0848)


   

Biotin; LC-tDDA; CE10

Biotin; LC-tDDA; CE10

C10H16N2O3S (244.0882)


   

Biotin; LC-tDDA; CE20

Biotin; LC-tDDA; CE20

C10H16N2O3S (244.0882)


   

Biotin; LC-tDDA; CE30

Biotin; LC-tDDA; CE30

C10H16N2O3S (244.0882)


   

Biotin; LC-tDDA; CE40

Biotin; LC-tDDA; CE40

C10H16N2O3S (244.0882)


   

Biotin; AIF; CE0; CorrDec

Biotin; AIF; CE0; CorrDec

C10H16N2O3S (244.0882)


   

Biotin; AIF; CE10; CorrDec

Biotin; AIF; CE10; CorrDec

C10H16N2O3S (244.0882)


   

Biotin; AIF; CE30; CorrDec

Biotin; AIF; CE30; CorrDec

C10H16N2O3S (244.0882)


   

Biotin [M+H-H2O]+; AIF; CE0; CorrDec

Biotin [M+H-H2O]+; AIF; CE0; CorrDec

C10H16N2O3S (244.0882)


   

Biotin [M+H-H2O]+; AIF; CE10; CorrDec

Biotin [M+H-H2O]+; AIF; CE10; CorrDec

C10H16N2O3S (244.0882)


   

Biotin [M+H-H2O]+; AIF; CE30; CorrDec

Biotin [M+H-H2O]+; AIF; CE30; CorrDec

C10H16N2O3S (244.0882)


   

Biotin; AIF; CE0; MS2Dec

Biotin; AIF; CE0; MS2Dec

C10H16N2O3S (244.0882)


   

Biotin; AIF; CE10; MS2Dec

Biotin; AIF; CE10; MS2Dec

C10H16N2O3S (244.0882)


   

Biotin; AIF; CE30; MS2Dec

Biotin; AIF; CE30; MS2Dec

C10H16N2O3S (244.0882)


   

3-DESMETHYL-5-DESHYDROXYSCLEROIN

3-DESMETHYL-5-DESHYDROXYSCLEROIN

C14H12O4 (244.0736)


   

Esflurbiprofen

(S)-(+)-2-fluoro-α-methyl-4-biphenylacetic acid

C15H13FO2 (244.09)


M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

Tarenflurbil

(R)-(-)-2-fluoro-α-methyl-4-biphenylacetic acid

C15H13FO2 (244.09)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor

   

Suberenone

7-Methoxy-6-(3-oxo-1-butenyl)-2H-1-benzopyran-2-one, 9ci

C14H12O4 (244.0736)


   

(2E,11Z)-Wyerone acid

(2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid

C14H12O4 (244.0736)


   

Graveolone

6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dione

C14H12O4 (244.0736)


   

9,10-Dihydro-2,3,5,7-Phenanthrenetetrol

2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene

C14H12O4 (244.0736)


   

Haematopodin

6-oxa-2,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),9,12(16)-triene-13,14-dione

C13H12N2O3 (244.0848)


   

(R)-Apiumetin

9-hydroxy-7-(prop-1-en-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one

C14H12O4 (244.0736)


   

Thyroacetic acid

Thyroacetic acid

C14H12O4 (244.0736)


   

Wyerone

(E)-3-(5-((E)-hept-4-en-2-yn-1-yl)-furan-2-yl)-acrylic acid

C14H12O4 (244.0736)


   

2-ethoxy-5-pyrimidin-4-yl-benzoic acid

2-ethoxy-5-pyrimidin-4-yl-benzoic acid

C13H12N2O3 (244.0848)


   

2-methyl-5-(2-methyl-4-nitrophenoxy)pyridine

2-methyl-5-(2-methyl-4-nitrophenoxy)pyridine

C13H12N2O3 (244.0848)


   

2,4-DIHYDROXYPHENYL P-HYDROXYBENZYL KETONE

2,4-DIHYDROXYPHENYL P-HYDROXYBENZYL KETONE

C14H12O4 (244.0736)


   

1-Acetylpyrene

1-Acetylpyrene

C18H12O (244.0888)


   

3-HYDROXYCHRYSENE

3-HYDROXYCHRYSENE

C18H12O (244.0888)


   

2-benzyl-1H-benzimidazole monohydrochloride

2-benzyl-1H-benzimidazole monohydrochloride

C14H13ClN2 (244.0767)


   

1,4-Naphthalenediol,1,4-diacetate

1,4-Naphthalenediol,1,4-diacetate

C14H12O4 (244.0736)


   

(S)-2-FLUOROBENZHYDROL

(S)-2-FLUOROBENZHYDROL

C11H16O4S (244.0769)


   

6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde

6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde

C14H12O4 (244.0736)


   

Dimethoxydiphenylsilane

Dimethoxydiphenylsilane

C14H16O2Si (244.092)


   

3-FLUOROMETHOXY-4,5-DIMETHOXY-BENZOIC ACID METHYL ESTER

3-FLUOROMETHOXY-4,5-DIMETHOXY-BENZOIC ACID METHYL ESTER

C11H13FO5 (244.0747)


   

DIMETHYL 1,8-NAPHTHALENEDICARBOXYLATE

DIMETHYL 1,8-NAPHTHALENEDICARBOXYLATE

C14H12O4 (244.0736)


   

2,2-[(4-fluoro-3-nitrophenyl)imino]diethanol

2,2-[(4-fluoro-3-nitrophenyl)imino]diethanol

C10H13FN2O4 (244.0859)


   

2-phenyldibenzofuran

2-phenyldibenzofuran

C18H12O (244.0888)


   

4-((1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)OXY)-3-FLUOROANILINE

4-((1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)OXY)-3-FLUOROANILINE

C12H9FN4O (244.076)


   

(4-hydroxyphenyl) 4-methoxybenzoate

(4-hydroxyphenyl) 4-methoxybenzoate

C14H12O4 (244.0736)


   

Methyl 4-acetoxy-2-naphthoate

Methyl 4-acetoxy-2-naphthoate

C14H12O4 (244.0736)


   

1-(2-(benzyloxy)-4-fluorophenyl)ethanone

1-(2-(benzyloxy)-4-fluorophenyl)ethanone

C15H13FO2 (244.09)


   

ETHYL 3-[1,6]NAPHTHYRIDIN-2-YL-3-OXO-PROPIONATE

ETHYL 3-[1,6]NAPHTHYRIDIN-2-YL-3-OXO-PROPIONATE

C13H12N2O3 (244.0848)


   

Acetamide,N-(2-methyl-4-nitro-1-naphthalenyl)-

Acetamide,N-(2-methyl-4-nitro-1-naphthalenyl)-

C13H12N2O3 (244.0848)


   

5-HYDROXY-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

5-HYDROXY-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H12O4 (244.0736)


   

METHYL 6-FLUORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLATE

METHYL 6-FLUORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLATE

C15H13FO2 (244.09)


   

3-((3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY)BENZALDEHYDE

3-((3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY)BENZALDEHYDE

C13H12N2O3 (244.0848)


   

(R)-2-FLUOROMANDELICACID

(R)-2-FLUOROMANDELICACID

C11H16O4S (244.0769)


   

2-FLUORO-3,4,5-TRIMETHOXY-BENZOIC ACID METHYL ESTER

2-FLUORO-3,4,5-TRIMETHOXY-BENZOIC ACID METHYL ESTER

C11H13FO5 (244.0747)


   

2-(BENZYLOXY)-4-NITROANILINE

2-(BENZYLOXY)-4-NITROANILINE

C13H12N2O3 (244.0848)


   

4-Methoxyphenyl 4-hydroxybenzoate

4-Methoxyphenyl 4-hydroxybenzoate

C14H12O4 (244.0736)


   

2-nitro-4-phenylmethoxy-aniline

2-nitro-4-phenylmethoxy-aniline

C13H12N2O3 (244.0848)


   

2,2-bipyridine-4,4-diboronic acid

2,2-bipyridine-4,4-diboronic acid

C10H10B2N2O4 (244.0827)


   

Fazarabine

1b-D-Arabinofuranosyl-5-azacytosine

C8H12N4O5 (244.0808)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents

   

Phenol,2-[[(4-nitrophenyl)amino]methyl]-

Phenol,2-[[(4-nitrophenyl)amino]methyl]-

C13H12N2O3 (244.0848)


   

2-ETHOXYETHYL P-TOLUENESULFONATE

2-ETHOXYETHYL P-TOLUENESULFONATE

C11H16O4S (244.0769)


   

2-[5-(Trifluoromethoxy)-1H-indol-3-yl]ethanamine

2-[5-(Trifluoromethoxy)-1H-indol-3-yl]ethanamine

C11H11F3N2O (244.0823)


   

1-Methoxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

1-Methoxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

C14H12O4 (244.0736)


   

1-[4-(4-Nitrophenoxy)phenyl]methanamine

1-[4-(4-Nitrophenoxy)phenyl]methanamine

C13H12N2O3 (244.0848)


   

tert-butyl 3,5-difluoro-4-(hydroxymethyl)benzoate

tert-butyl 3,5-difluoro-4-(hydroxymethyl)benzoate

C12H14F2O3 (244.0911)


   

2,6-Naphthalenediyl diacetate

2,6-Naphthalenediyl diacetate

C14H12O4 (244.0736)


   

4-Hydroxy-5-methoxy-N-phenylnicotinamide

4-Hydroxy-5-methoxy-N-phenylnicotinamide

C13H12N2O3 (244.0848)


   

4-(4-Methoxyphenoxy)benzoic acid

4-(4-Methoxyphenoxy)benzoic acid

C14H12O4 (244.0736)


   

Hexanediimidic acid,1,6-dimethyl ester, hydrochloride (1:2)

Hexanediimidic acid,1,6-dimethyl ester, hydrochloride (1:2)

C8H18Cl2N2O2 (244.0745)


   

dimethyl 2,7-naphthalenedicarboxylate

dimethyl 2,7-naphthalenedicarboxylate

C14H12O4 (244.0736)


   

4-ethoxy-2-phenylpyrimidine-5-carboxylic acid

4-ethoxy-2-phenylpyrimidine-5-carboxylic acid

C13H12N2O3 (244.0848)


   

2-(2-methoxyanilino)pyridine-3-carboxylic acid

2-(2-methoxyanilino)pyridine-3-carboxylic acid

C13H12N2O3 (244.0848)


   

3-(4,6-Dimethylpyrimidin-2-oxy)benzoicacid

3-(4,6-Dimethylpyrimidin-2-oxy)benzoicacid

C13H12N2O3 (244.0848)


   

1-(3-PYRIDINYLMETHYL)-4-PIPERIDINECARBOXYLIC ACID

1-(3-PYRIDINYLMETHYL)-4-PIPERIDINECARBOXYLIC ACID

C8H18Cl2N2O2 (244.0745)


   

3,4,5,4-tetrahydroxystilbene

3,4,5,4-tetrahydroxystilbene

C14H12O4 (244.0736)


   

4-methoxyphenylphosphonic acid diethyl ester

4-methoxyphenylphosphonic acid diethyl ester

C11H17O4P (244.0864)


   

ethyl 4-(5-formyl-2-furyl)benzoate

ethyl 4-(5-formyl-2-furyl)benzoate

C14H12O4 (244.0736)


   

(4-AMINO-PHENYL)-(3-METHYL-PIPERIDIN-1-YL)-METHANONE

(4-AMINO-PHENYL)-(3-METHYL-PIPERIDIN-1-YL)-METHANONE

C14H13ClN2 (244.0767)


   

Benzyl (2-oxo-1,2-dihydro-3-pyridinyl)carbamate

Benzyl (2-oxo-1,2-dihydro-3-pyridinyl)carbamate

C13H12N2O3 (244.0848)


   

2-(6-(Trifluoromethoxy)-1H-indol-3-yl)ethanamine hydrochloride

2-(6-(Trifluoromethoxy)-1H-indol-3-yl)ethanamine hydrochloride

C11H11F3N2O (244.0823)


   

2,4,6-trihydroxy phenyl benzyl ketone

2,4,6-trihydroxy phenyl benzyl ketone

C14H12O4 (244.0736)


   

4-phenyldibenzofuran

4-phenyldibenzofuran

C18H12O (244.0888)


   

9H-FLUORENE-1-CARBOXAMIDINE HYDROCHLORIDE

9H-FLUORENE-1-CARBOXAMIDINE HYDROCHLORIDE

C14H13ClN2 (244.0767)


   

5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

C10H16N2O3S (244.0882)


   

Benzenamine, N-methyl-2-nitro-4-phenoxy-

Benzenamine, N-methyl-2-nitro-4-phenoxy-

C13H12N2O3 (244.0848)


   

4-FLUOROMETHOXY-3,5-DIMETHOXY-BENZOIC ACID METHYL ESTER

4-FLUOROMETHOXY-3,5-DIMETHOXY-BENZOIC ACID METHYL ESTER

C11H13FO5 (244.0747)


   

7-Ethoxy-6-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

7-Ethoxy-6-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C13H12N2O3 (244.0848)


   

2-Amino-2-[4-(3-pyridyloxy)phenyl]acetic Acid

2-Amino-2-[4-(3-pyridyloxy)phenyl]acetic Acid

C13H12N2O3 (244.0848)


   

1,5-DIFORMYL-4,8-DIMETHOXYNAPHTHALENE

1,5-DIFORMYL-4,8-DIMETHOXYNAPHTHALENE

C14H12O4 (244.0736)


   

3-Hydroxy-5-methoxybiphenyl-3-carboxylic acid

3-Hydroxy-5-methoxybiphenyl-3-carboxylic acid

C14H12O4 (244.0736)


   

2-Hydroxy-3-methoxybiphenyl-3-carboxylic acid

2-Hydroxy-3-methoxybiphenyl-3-carboxylic acid

C14H12O4 (244.0736)


   

2-HYDROXY-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

2-HYDROXY-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H12O4 (244.0736)


   

4-HYDROXY-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

4-HYDROXY-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H12O4 (244.0736)


   

3-Hydroxy-4-Methoxybiphenyl-3-carboxylic acid

3-Hydroxy-4-Methoxybiphenyl-3-carboxylic acid

C14H12O4 (244.0736)


   

Alovudine

Alovudine

C10H13FN2O4 (244.0859)


C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Alovudine (3'-Fluoro-3'-deoxythymidine) is a marker of DNA synthesis that is less susceptible to inflammatory changes than 18F-Fluorodeoxyglucose (FDG) and thus is a better biomarker in pancreatic cancer. Alovudine shows anti-orthopoxvirus activity[1][2].

   

2-HYDROXYCHRYSENE

2-HYDROXYCHRYSENE

C18H12O (244.0888)


   

(4-OXO-CYCLOHEXYL)-ACETICACIDMETHYLESTER

(4-OXO-CYCLOHEXYL)-ACETICACIDMETHYLESTER

C14H12O4 (244.0736)


   

2-(3-Hydroxy-n-propyl)-5-(trifluoromethyl)-benzimidazole

2-(3-Hydroxy-n-propyl)-5-(trifluoromethyl)-benzimidazole

C11H11F3N2O (244.0823)


   

1-(3-FLUORO-4-METHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID

1-(3-FLUORO-4-METHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID

C15H13FO2 (244.09)


   

NEOCUPROINE HYDROCHLORIDE

NEOCUPROINE HYDROCHLORIDE

C14H13ClN2 (244.0767)


   

(4-(Benzylthio)phenyl)boronic acid

(4-(Benzylthio)phenyl)boronic acid

C13H13BO2S (244.0729)


   

6-Ethoxy-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

6-Ethoxy-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C13H12N2O3 (244.0848)


   

7-(2-Methoxyethoxy)-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

7-(2-Methoxyethoxy)-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C13H12N2O3 (244.0848)


   

2-Hydroxy-4-methoxybiphenyl-3-carboxylic acid

2-Hydroxy-4-methoxybiphenyl-3-carboxylic acid

C14H12O4 (244.0736)


   

chrysen-6-ol

6-Hydroxychrysene

C18H12O (244.0888)


A hydroxychrysene that is chrysene in which the hydrogen at position 6 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.

   

1-(4-CHLOROPHENYL)-1-METHYLETHYLAMINE

1-(4-CHLOROPHENYL)-1-METHYLETHYLAMINE

C14H13ClN2 (244.0767)


   

1-[4-(BENZYLOXY)-3-FLUOROPHENYL]-1-ETHANONE

1-[4-(BENZYLOXY)-3-FLUOROPHENYL]-1-ETHANONE

C15H13FO2 (244.09)


   

2,7-DIACETOXYNAPHTHALENE

2,7-DIACETOXYNAPHTHALENE

C14H12O4 (244.0736)


   

(1,3-Bis(methoxymethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid

(1,3-Bis(methoxymethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid

C8H13BN2O6 (244.0867)


   

Lithium tetraborate tetrahydrate

Lithium tetraborate tetrahydrate

B4H10Li2O11 (244.0915)


   

2-chloro-N,N-diphenylethanimidamide

2-chloro-N,N-diphenylethanimidamide

C14H13ClN2 (244.0767)


   

DIMETHYL 1,4-NAPHTHALENEDICARBOXYLATE

DIMETHYL 1,4-NAPHTHALENEDICARBOXYLATE

C14H12O4 (244.0736)


   

4-(4-fluorobenzyloxy)acetophenone

4-(4-fluorobenzyloxy)acetophenone

C15H13FO2 (244.09)


   

4-HYDROXYCHRYSENE

4-HYDROXYCHRYSENE

C18H12O (244.0888)


   

2-[(4-methoxyphenyl)amino]isonicotinic acid

2-[(4-methoxyphenyl)amino]isonicotinic acid

C13H12N2O3 (244.0848)


   

4-(2-methoxyphenoxy)benzoic acid

4-(2-methoxyphenoxy)benzoic acid

C14H12O4 (244.0736)


   
   

4-(Benzyloxy)-3-hydroxybenzoic acid

4-(Benzyloxy)-3-hydroxybenzoic acid

C14H12O4 (244.0736)


   

4-(2-Cyanophenyl)-benzylamineHCl

4-(2-Cyanophenyl)-benzylamineHCl

C14H13ClN2 (244.0767)


   

3-(furan-2-ylmethyl)-7,8-dihydro-6H-chromene-2,5-dione

3-(furan-2-ylmethyl)-7,8-dihydro-6H-chromene-2,5-dione

C14H12O4 (244.0736)


   

alpha-Ribavirin

alpha-Ribavirin

C8H12N4O5 (244.0808)


   

Iso Ribavirin

Iso Ribavirin

C8H12N4O5 (244.0808)


   

ETHYL 2-HYDROXY-4-PHENYLPYRIMIDINE-5-CARBOXYLATE

ETHYL 2-HYDROXY-4-PHENYLPYRIMIDINE-5-CARBOXYLATE

C13H12N2O3 (244.0848)


   

N-(4-methoxyphenyl)-4-nitroaniline

N-(4-methoxyphenyl)-4-nitroaniline

C13H12N2O3 (244.0848)


   

2-Benzylthiophenylboronicacid

2-Benzylthiophenylboronicacid

C13H13BO2S (244.0729)


   

(S)-5-(2-AMinopropyl)-2-MethoxybenzenesulfonaMide

(S)-5-(2-AMinopropyl)-2-MethoxybenzenesulfonaMide

C10H16N2O3S (244.0882)


   

Benzenamine,N-(4-methoxyphenyl)-2-nitro-

Benzenamine,N-(4-methoxyphenyl)-2-nitro-

C13H12N2O3 (244.0848)


   

2-(BENZO[D][1,3]DIOXOLE-5-CARBONYL)-3-(DIMETHYLAMINO)ACRYLONITRILE

2-(BENZO[D][1,3]DIOXOLE-5-CARBONYL)-3-(DIMETHYLAMINO)ACRYLONITRILE

C13H12N2O3 (244.0848)


   

Pyridine,2-(2,3-dimethylphenoxy)-3-nitro-

Pyridine,2-(2,3-dimethylphenoxy)-3-nitro-

C13H12N2O3 (244.0848)


   

Biotin IMpurity C

Biotin IMpurity C

C10H16N2O3S (244.0882)


   

5-beta-D-Ribofuranosyl-1H-1,2,3-triazole-4-carboxamide

5-beta-D-Ribofuranosyl-1H-1,2,3-triazole-4-carboxamide

C8H12N4O5 (244.0808)


   

4-PHENOXYPHENYLGLYOXAL HYDRATE

4-PHENOXYPHENYLGLYOXAL HYDRATE

C14H12O4 (244.0736)


   

Methyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate

Methyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate

C13H12N2O3 (244.0848)


   

Dimethyl 2,3-naphthalenedicarboxylate

Dimethyl 2,3-naphthalenedicarboxylate

C14H12O4 (244.0736)


   

2-[[(1-ETH-1-YNYLBUT-2-ENYL)OXY]CARBONYL]BENZOIC ACID

2-[[(1-ETH-1-YNYLBUT-2-ENYL)OXY]CARBONYL]BENZOIC ACID

C14H12O4 (244.0736)


   

1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one

1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one

C11H11F3N2O (244.0823)


   

3-Amino-N,N-diethyl-4-hydroxybenzenesulfonamide

3-Amino-N,N-diethyl-4-hydroxybenzenesulfonamide

C10H16N2O3S (244.0882)


   

2-ethylcyclopenta-1,3-diene,nickel(2+)

2-ethylcyclopenta-1,3-diene,nickel(2+)

C14H18Ni (244.0762)


   

Oxo[tris(2-propanolato)]vanadium

Oxo[tris(2-propanolato)]vanadium

C9H21O4V (244.0879)


   

vanadium(v) oxytripropoxide

vanadium(v) oxytripropoxide

C9H21O4V (244.0879)


   

5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE

5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE

C13H12N2O3 (244.0848)


   

Phenallymal

5-allyl-5-phenylbarbituric acid

C13H12N2O3 (244.0848)


   

5-AMINO-N-(2-HYDROXYETHYL)-2,3-DIMETHYLBENZENESULFONAMIDE

5-AMINO-N-(2-HYDROXYETHYL)-2,3-DIMETHYLBENZENESULFONAMIDE

C10H16N2O3S (244.0882)


   
   
   

3-Deoxy-3-(18F)fluorothymidine

3-Deoxy-3-(18F)fluorothymidine

C10H13FN2O4 (244.0859)


D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate D000890 - Anti-Infective Agents > D000998 - Antiviral Agents

   

5-[(3AS,4R,6AR)-2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-YL]pentanoic acid

5-[(3AS,4R,6AR)-2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-YL]pentanoic acid

C10H16N2O3S (244.0882)


   

3-(1,3-Dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione

3-(1,3-Dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione

C13H12N2O3 (244.0848)


   

cis-3,5,3,4-Tetrahydroxystilbene

cis-3,5,3,4-Tetrahydroxystilbene

C14H12O4 (244.0736)


   

3,3-Difluorobenzaldazine

3,3-Difluorobenzaldazine

C14H10F2N2 (244.0812)


3,3'-Difluorobenzaldazine (DFB) is a selective positive allosteric modulator of mGluR5. 3,3'-Difluorobenzaldazine potentiates 3- to 6-fold action for mGlu5 agonists (Glutamate, Quisqualate, and 3,5-Dihydroxyphenylglycine), with EC50s in the 2 to 5 μM range[1].

   

7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid

7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid

C13H12N2O3 (244.0848)


   

Benzo[c]phenanthren-3-ol

Benzo[c]phenanthren-3-ol

C18H12O (244.0888)


A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 3 has been replaced by a hydroxy group.

   

Benzo[c]phenanthren-1-ol

Benzo[c]phenanthren-1-ol

C18H12O (244.0888)


A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 1 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene.

   

Benzo[c]phenanthren-2-ol

Benzo[c]phenanthren-2-ol

C18H12O (244.0888)


A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 2 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene and a weak xenoestrogen.

   

6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile

6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile

C11H11F3N2O (244.0823)


   

1-Hydroxybenz[a]anthracene

1-Hydroxybenz[a]anthracene

C18H12O (244.0888)


   

5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid

5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid

C10H16N2O3S (244.0882)


   

Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-

Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-

C18H12O (244.0888)


   

Dimethyl naphthalene-1,2-dicarboxylate

Dimethyl naphthalene-1,2-dicarboxylate

C14H12O4 (244.0736)


   

Jatamansinone

Jatamansinone

C14H12O4 (244.0736)


   

(E)-2-methyl-4-(2-oxochromen-7-yl)oxybut-2-enal

(E)-2-methyl-4-(2-oxochromen-7-yl)oxybut-2-enal

C14H12O4 (244.0736)


   
   

Azacitidine

Azacitidine

C8H12N4O5 (244.0808)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 5-Azacytidine (Azacitidine; 5-AzaC; Ladakamycin) is a nucleoside analogue of cytidine that specifically inhibits DNA methylation. 5-Azacytidine is incorporated into DNA to covalently trap DNA methyltransferases and contributes to reverse epigenetic changes[1][2]. 5-Azacytidine induces cell autophagy[4].

   

dioxybenzone

2,2-Dihydroxy-4-methoxybenzophenone

C14H12O4 (244.0736)


C1892 - Chemopreventive Agent > C851 - Sunscreen Same as: D03853

   

Eriobofuran

2,4-Dimethoxydibenzofuran-3-ol

C14H12O4 (244.0736)


   

Cudranin

1,3-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-, (E)-

C14H12O4 (244.0736)


Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4]. Oxyresveratrol (trans-Oxyresveratrol) is a potent naturally occurring antioxidant and free radical scavenger (IC50 of 28.9 μM against DPPH free radicals). Oxyresveratrol is potent and noncompetitive tyrosinase inhibitor with an IC50 value of 1.2 μM for mushroom tyrosinase. Oxyresveratrol is effective against HSV-1, HSV-2 and varicella-zoster virus, and has neuroprotective effects[1][2][3][4].

   

2-Prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one

2-Prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one

C14H12O4 (244.0736)


   

2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]acetate

2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]acetate

C10H14NO6- (244.0821)


   

2-[(2-Methylthio)hexyl]maleate

2-[(2-Methylthio)hexyl]maleate

C11H16O4S-2 (244.0769)


   

4-Hydroxy-3-methyl-5-[methyl(methylcarbamoyl)amino]-2-oxoimidazole-4-carboxylic acid

4-Hydroxy-3-methyl-5-[methyl(methylcarbamoyl)amino]-2-oxoimidazole-4-carboxylic acid

C8H12N4O5 (244.0808)


   

4-amino-1-[3,4-dihydroxy-5-(hydroxyamino)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[3,4-dihydroxy-5-(hydroxyamino)oxolan-2-yl]pyrimidin-2-one

C8H12N4O5 (244.0808)


   

3-Carbomethoxy-6-benzyl-4-pyrone

3-Carbomethoxy-6-benzyl-4-pyrone

C14H12O4 (244.0736)


A natural product found in Aspeciesrgillus species.

   

Kavapyrone

Kavapyrone

C14H12O4 (244.0736)


A pyranone that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-phenyloxiran-2-yl group at position 6 (the 2R,3S stereoisomer). Isolated from Didymocarpus aurantiacus and Piper rusbyi, it exhibits antileishmanial activity.

   

4-Sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile

4-Sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile

C12H12N4S (244.0783)


   

Azacytidine-5

Azacytidine-5

C8H12N4O5 (244.0808)


   

1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide

1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide

C8H12N4O5 (244.0808)


   
   

Indoleacryloylglycine

Indoleacryloylglycine

C13H12N2O3 (244.0848)


   

1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidine

1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidine

C10H16N2O3S (244.0882)


   

1-Naphthalenecarboxylic acid, trimethylsilyl ester

1-Naphthalenecarboxylic acid, trimethylsilyl ester

C14H16O2Si (244.092)


   

3-(2,5-Dihydroxybenzyl)tropolone

3-(2,5-Dihydroxybenzyl)tropolone

C14H12O4 (244.0736)


   

2-Naphthoic acid trimethylsilyl ester

2-Naphthoic acid trimethylsilyl ester

C14H16O2Si (244.092)


   

METIAMIDE

METIAMIDE

C9H16N4S2 (244.0816)


C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Metiamide (SK&F 92058) is a histamine H2-receptor antagonist developed from another H2 antagonist, burimamide.

   

vitamin H

5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoic acid

C10H16N2O3S (244.0882)


   

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide

C8H12N4O5 (244.0808)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites

   

Amidephrine

Amidephrine

C10H16N2O3S (244.0882)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists

   

Indolylacryloylglycine

Indolylacryloylglycine

C13H12N2O3 (244.0848)


   

chrysen-3-ol

chrysen-3-ol

C18H12O (244.0888)


A hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.

   

chrysen-2-ol

chrysen-2-ol

C18H12O (244.0888)


A hydroxychrysene that is chrysene in which the hydrogen at position 2 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.

   

tetraphen-1-ol

tetraphen-1-ol

C18H12O (244.0888)


A member of the class of tetraphenes that is tetraphene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a urinary hydroxylated metabolite of tetraphene (benzo[a]anthracene).

   

5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid

5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid

C14H12O4 (244.0736)


   

chrysen-1-ol

chrysen-1-ol

C18H12O (244.0888)


A hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.

   

chrysen-4-ol

chrysen-4-ol

C18H12O (244.0888)


A hydroxychrysene that is chrysene in which the hydrogen at position 4 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.

   

3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C10H16N2O3S (244.0882)


A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and methyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.

   

Desmethyldeshydroxyscleroin

Desmethyldeshydroxyscleroin

C14H12O4 (244.0736)


   

1-Hydroxybenzo[c]phenanthrene

1-Hydroxybenzo[c]phenanthrene

C18H12O (244.0888)


   

2-Hydroxybenzo[c]-phenanthrene

2-Hydroxybenzo[c]-phenanthrene

C18H12O (244.0888)


   

3-Hydroxybenzo[c]-phenanthrene

3-Hydroxybenzo[c]-phenanthrene

C18H12O (244.0888)


   

Hydroxybenz[a]anthracene

Hydroxybenz[a]anthracene

C18H12O (244.0888)


   

Hydroxybenzo[c]phenanthrene

Hydroxybenzo[c]phenanthrene

C18H12O (244.0888)


   

Hydroxychrysene

Hydroxychrysene

C18H12O (244.0888)


   

2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone

2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone

C14H12O4 (244.0736)


   

5-[2-(2,6-dihydroxyphenyl)ethenyl]benzene-1,3-diol

5-[2-(2,6-dihydroxyphenyl)ethenyl]benzene-1,3-diol

C14H12O4 (244.0736)


   

(2r)-2-isopropyl-2h-furo[3,2-g]chromene-3,7-dione

(2r)-2-isopropyl-2h-furo[3,2-g]chromene-3,7-dione

C14H12O4 (244.0736)


   

5-hydroxy-8,8-dimethylpyrano[2,3-f]chromen-4-one

5-hydroxy-8,8-dimethylpyrano[2,3-f]chromen-4-one

C14H12O4 (244.0736)


   

3-acetyl-5-methoxy-2-methylnaphthalene-1,4-dione

3-acetyl-5-methoxy-2-methylnaphthalene-1,4-dione

C14H12O4 (244.0736)


   

4-methoxy-9h-fluorene-2,5,9-triol

4-methoxy-9h-fluorene-2,5,9-triol

C14H12O4 (244.0736)


   

(3s)-4-hydroxy-5-methoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one

(3s)-4-hydroxy-5-methoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one

C14H12O4 (244.0736)


   

(2s)-2-(prop-1-en-2-yl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one

(2s)-2-(prop-1-en-2-yl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one

C14H12O4 (244.0736)


   

6-[(s)-hydroxy(phenyl)methyl]-4-oxo-1h-pyridine-3-carboximidic acid

6-[(s)-hydroxy(phenyl)methyl]-4-oxo-1h-pyridine-3-carboximidic acid

C13H12N2O3 (244.0848)


   

7-methoxy-8-[(1z)-3-oxobut-1-en-1-yl]chromen-2-one

7-methoxy-8-[(1z)-3-oxobut-1-en-1-yl]chromen-2-one

C14H12O4 (244.0736)


   

2,4-dihydroxy-5-methoxybenzophenone

2,4-dihydroxy-5-methoxy-benzo-phenone

C14H12O4 (244.0736)


{"Ingredient_id": "HBIN004321","Ingredient_name": "2,4-dihydroxy-5-methoxybenzophenone","Alias": "2,4-dihydroxy-5-methoxy-benzo-phenone","Ingredient_formula": "C14H12O4","Ingredient_Smile": "COC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O","Ingredient_weight": "244.24 g/mol","OB_score": "67.20784963","CAS_id": "NA","SymMap_id": "SMIT05097","TCMID_id": "42071","TCMSP_id": "MOL002948","TCM_ID_id": "NA","PubChem_id": "85777815","DrugBank_id": "NA"}

   

4′-hydroxy-5,6-dehydrokawain

NA

C14H12O4 (244.0736)


{"Ingredient_id": "HBIN010495","Ingredient_name": "4\u2032-hydroxy-5,6-dehydrokawain","Alias": "NA","Ingredient_formula": "C14H12O4","Ingredient_Smile": "COC1=CC(=O)OC(=C1)C=CC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9973","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1-hydroxy-3-(2-methanesulfinylethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

1-hydroxy-3-(2-methanesulfinylethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

C10H16N2O3S (244.0882)


   

(8s)-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

(8s)-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one

6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one

C14H12O4 (244.0736)


   

5-[(r)-carboxylato(methoxy)methyl]-4-(ethylsulfanyl)-1,3-dimethylimidazol-1-ium

5-[(r)-carboxylato(methoxy)methyl]-4-(ethylsulfanyl)-1,3-dimethylimidazol-1-ium

C10H16N2O3S (244.0882)


   

6-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one

6-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one

C14H12O4 (244.0736)


   

8-(3-hydroxyprop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

8-(3-hydroxyprop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

(8r)-6-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

(8r)-6-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

5-hydroxy-2,2-dimethylpyrano[2,3-h]chromen-8-one

5-hydroxy-2,2-dimethylpyrano[2,3-h]chromen-8-one

C14H12O4 (244.0736)


   

(1s)-8-methoxy-1-methyl-1h,3h-naphtho[2,3-c]furan-4,9-dione

(1s)-8-methoxy-1-methyl-1h,3h-naphtho[2,3-c]furan-4,9-dione

C14H12O4 (244.0736)


   

methyl 7-(but-2-en-1-ylidene)-1-oxocyclopenta[c]pyran-4-carboxylate

methyl 7-(but-2-en-1-ylidene)-1-oxocyclopenta[c]pyran-4-carboxylate

C14H12O4 (244.0736)


   

2-isopropyl-2h-furo[3,2-g]chromene-3,7-dione

2-isopropyl-2h-furo[3,2-g]chromene-3,7-dione

C14H12O4 (244.0736)


   

7-methoxy-6-(3-oxobut-1-en-1-yl)chromen-2-one

7-methoxy-6-(3-oxobut-1-en-1-yl)chromen-2-one

C14H12O4 (244.0736)


   

1,4-dimethyl azulene-1,4-dicarboxylate

1,4-dimethyl azulene-1,4-dicarboxylate

C14H12O4 (244.0736)


   

5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

C14H12O4 (244.0736)


   

7-methoxy-8-[(1e)-3-oxobut-1-en-1-yl]chromen-2-one

7-methoxy-8-[(1e)-3-oxobut-1-en-1-yl]chromen-2-one

C14H12O4 (244.0736)


   

5-[2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

5-[2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

C14H12O4 (244.0736)


   

2-(1-hydroxyethyl)-2h,3h-naphtho[2,3-b]furan-4,9-dione

2-(1-hydroxyethyl)-2h,3h-naphtho[2,3-b]furan-4,9-dione

C14H12O4 (244.0736)


   

3-[5-(hydroxymethyl)furan-2-yl]-2-(4-hydroxyphenyl)prop-2-enal

3-[5-(hydroxymethyl)furan-2-yl]-2-(4-hydroxyphenyl)prop-2-enal

C14H12O4 (244.0736)


   

3-hydroxy-8,8-dimethylpyrano[3,2-g]chromen-2-one

3-hydroxy-8,8-dimethylpyrano[3,2-g]chromen-2-one

C14H12O4 (244.0736)


   

(2e)-3-[5-(hydroxymethyl)furan-2-yl]-2-(4-hydroxyphenyl)prop-2-enal

(2e)-3-[5-(hydroxymethyl)furan-2-yl]-2-(4-hydroxyphenyl)prop-2-enal

C14H12O4 (244.0736)


   

2-(4-hydroxybenzoyl)-5-methoxyphenol

2-(4-hydroxybenzoyl)-5-methoxyphenol

C14H12O4 (244.0736)


   

11-hydroxy-7-(3-hydroxypropyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),2,4(12),5,8-pentaen-10-one

11-hydroxy-7-(3-hydroxypropyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),2,4(12),5,8-pentaen-10-one

C13H12N2O3 (244.0848)


   

5-hydroxy-8,8-dimethylpyrano[3,2-g]chromen-4-one

5-hydroxy-8,8-dimethylpyrano[3,2-g]chromen-4-one

C14H12O4 (244.0736)


   

(3s,8as)-1-hydroxy-3-(2-methanesulfinylethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

(3s,8as)-1-hydroxy-3-(2-methanesulfinylethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

C10H16N2O3S (244.0882)


   

3-hydroxy-2-(propan-2-ylidene)-3h-furo[3,2-g]chromen-7-one

3-hydroxy-2-(propan-2-ylidene)-3h-furo[3,2-g]chromen-7-one

C14H12O4 (244.0736)


   

6-methoxy-2-methyl-2h,3h-naphtho[1,2-b]furan-4,5-dione

6-methoxy-2-methyl-2h,3h-naphtho[1,2-b]furan-4,5-dione

C14H12O4 (244.0736)


   

(8s)-8-(3-hydroxyprop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

(8s)-8-(3-hydroxyprop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

9-hydroxy-2-isopropylfuro[3,2-g]chromen-7-one

9-hydroxy-2-isopropylfuro[3,2-g]chromen-7-one

C14H12O4 (244.0736)


   

6-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

6-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one

C14H12O4 (244.0736)


   

(2s)-9-hydroxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-7-one

(2s)-9-hydroxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-7-one

C14H12O4 (244.0736)


   

(9r)-4-methoxy-9h-fluorene-2,5,9-triol

(9r)-4-methoxy-9h-fluorene-2,5,9-triol

C14H12O4 (244.0736)


   

7-methoxy-3h,4h,9h-pyrido[3,4-b]indole-1-carboxylic acid

7-methoxy-3h,4h,9h-pyrido[3,4-b]indole-1-carboxylic acid

C13H12N2O3 (244.0848)


   

3-(hydroxymethyl)-13-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diol

3-(hydroxymethyl)-13-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diol

C14H12O4 (244.0736)


   

3-(7-methoxy-2h-1,3-benzodioxol-5-yl)phenol

3-(7-methoxy-2h-1,3-benzodioxol-5-yl)phenol

C14H12O4 (244.0736)


   

7-hydroxy-8,8-dimethylpyrano[3,2-g]chromen-2-one

7-hydroxy-8,8-dimethylpyrano[3,2-g]chromen-2-one

C14H12O4 (244.0736)


   

6-[2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one

6-[2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one

C14H12O4 (244.0736)


   

(2-hydroxyphenyl)methyl 2-hydroxybenzoate

(2-hydroxyphenyl)methyl 2-hydroxybenzoate

C14H12O4 (244.0736)


   

2-(prop-1-en-2-yl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one

2-(prop-1-en-2-yl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one

C14H12O4 (244.0736)


   

4-hydroxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-7-one

4-hydroxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-7-one

C14H12O4 (244.0736)


   

6-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2,4-triol

6-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2,4-triol

C14H12O4 (244.0736)


   

(3s)-7-hydroxy-1-methyl-3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

(3s)-7-hydroxy-1-methyl-3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

C13H12N2O3 (244.0848)


   

8,8-dimethyl-7h-pyrano[3,2-g]chromene-2,6-dione

8,8-dimethyl-7h-pyrano[3,2-g]chromene-2,6-dione

C14H12O4 (244.0736)


   

6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one

6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one

C14H12O4 (244.0736)


   

(8r)-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

(8r)-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

C14H12O4 (244.0736)


   

4-methoxy-6-(3-phenyloxiran-2-yl)pyran-2-one

4-methoxy-6-(3-phenyloxiran-2-yl)pyran-2-one

C14H12O4 (244.0736)


   

2-(2-hydroxypropan-2-yl)furo[3,2-g]chromen-7-one

2-(2-hydroxypropan-2-yl)furo[3,2-g]chromen-7-one

C14H12O4 (244.0736)


   

5-[(2s)-2-carboxylato-2-hydroxyethyl]-4-(ethylsulfanyl)-1,3-dimethylimidazol-1-ium

5-[(2s)-2-carboxylato-2-hydroxyethyl]-4-(ethylsulfanyl)-1,3-dimethylimidazol-1-ium

C10H16N2O3S (244.0882)


   

2-benzoyl-5-methoxybenzene-1,4-diol

2-benzoyl-5-methoxybenzene-1,4-diol

C14H12O4 (244.0736)


   

8-methoxy-1-methyl-1h,3h-naphtho[2,3-c]furan-4,9-dione

8-methoxy-1-methyl-1h,3h-naphtho[2,3-c]furan-4,9-dione

C14H12O4 (244.0736)


   

6-hydroxy-8,8-dimethylpyrano[3,2-f]chromen-3-one

6-hydroxy-8,8-dimethylpyrano[3,2-f]chromen-3-one

C14H12O4 (244.0736)


   

7-methoxy-8-(3-oxobut-1-en-1-yl)chromen-2-one

7-methoxy-8-(3-oxobut-1-en-1-yl)chromen-2-one

C14H12O4 (244.0736)


   

(2r)-2-[(1s)-1-hydroxyethyl]-2h,3h-naphtho[2,3-b]furan-4,9-dione

(2r)-2-[(1s)-1-hydroxyethyl]-2h,3h-naphtho[2,3-b]furan-4,9-dione

C14H12O4 (244.0736)


   

8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

C14H12O4 (244.0736)


   

4-hydroxy-5-methoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one

4-hydroxy-5-methoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one

C14H12O4 (244.0736)


   

7-hydroxy-1-methyl-3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

7-hydroxy-1-methyl-3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

C13H12N2O3 (244.0848)


   

(3r)-4-hydroxy-5-methoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one

(3r)-4-hydroxy-5-methoxy-3-methyl-3h-naphtho[2,3-c]furan-1-one

C14H12O4 (244.0736)


   

(8s)-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

(8s)-8-(hydroxymethyl)-8-methylpyrano[2,3-f]chromen-2-one

C14H12O4 (244.0736)


   

6-[hydroxy(phenyl)methyl]-4-oxo-1h-pyridine-3-carboximidic acid

6-[hydroxy(phenyl)methyl]-4-oxo-1h-pyridine-3-carboximidic acid

C13H12N2O3 (244.0848)


   

(2s)-6-methoxy-2-methyl-2h,3h-naphtho[1,2-b]furan-4,5-dione

(2s)-6-methoxy-2-methyl-2h,3h-naphtho[1,2-b]furan-4,5-dione

C14H12O4 (244.0736)