Exact Mass: 284.0719382
Exact Mass Matches: 284.0719382
Found 500 metabolites which its exact mass value is equals to given mass value 284.0719382,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Biochanin A
Biochanin A is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at position 5 and a methoxy group at position 4. A phytoestrogen, it has putative benefits in dietary cancer prophylaxis. It has a role as a phytoestrogen, a plant metabolite, an EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor, a tyrosine kinase inhibitor and an antineoplastic agent. It is a member of 7-hydroxyisoflavones and a member of 4-methoxyisoflavones. It is a conjugate acid of a biochanin A(1-). Biochanin A is under investigation in clinical trial NCT02174666 (Isoflavone Treatment for Postmenopausal Osteopenia.). biochanin A is a natural product found in Dalbergia oliveri, Dalbergia sissoo, and other organisms with data available. The phytoestrogen biochanin A is an isoflavone derivative isolated from red clover Trifolium pratense with anticarcinogenic properties. Treating MCF-7 human breast carcinoma cells with biochanin A alone caused the accumulation of CYP1A1 mRNA and an increase in CYP1A1-specific 7-ethoxyresorufin O-deethylase (EROD) activity in a dose dependent manner. Biochanin A may be a natural ligand to bind on aryl hydrocarbon receptor acting as an antagonist/agonist of the pathway. (A7920). Biochanin A suppress nuclear factor-kappaB-driven interleukin-6 (IL6) expression. In addition to its physiologic immune function as an acute stress cytokine, sustained elevated expression levels of IL6 promote chronic inflammatory disorders, aging frailty, and tumorigenesis. (A7921). Biochanin A induces a decrease in invasive activity of U87MG cells in a dose-related manner. (A7922). Biochanin A activates peroxisome proliferator-activated receptors (PPAR) PPARalpha, PPARgamma, and adipocyte differentiation in vitro of 3T3-L1 preadipocytes, suggesting potential value of isoflavones, especially biochanin A and their parent botanicals, as antidiabetic agents and for use in regulating lipid metabolism. (A7923). See also: Trifolium pratense flower (part of). The phytoestrogen biochanin A is an isoflavone derivative isolated from red clover Trifolium pratense with anticarcinogenic properties. Treating MCF-7 human breast carcinoma cells with biochanin A alone caused the accumulation of CYP1A1 mRNA and an increase in CYP1A1-specific 7-ethoxyresorufin O-deethylase (EROD) activity in a dose dependent manner. Biochanin A may be a natural ligand to bind on aryl hydrocarbon receptor acting as an antagonist/agonist of the pathway. (PMID: 16903077). Biochanin A suppress nuclear factor-kappaB-driven interleukin-6 (IL6) expression. In addition to its physiologic immune function as an acute stress cytokine, sustained elevated expression levels of IL6 promote chronic inflammatory disorders, aging frailty, and tumorigenesis. (PMID: 16651441). Biochanin A induces a decrease in invasive activity of U87MG cells in a dose-related manner. (PMID: 16598420). Biochanin A activates peroxisome proliferator-activated receptors (PPAR) PPARalpha, PPARgamma, and adipocyte differentiation in vitro of 3T3-L1 preadipocytes, suggesting potential value of isoflavones, especially biochanin A and their parent botanicals, as antidiabetic agents and for use in regulating lipid metabolism. (PMID: 16549448). A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at position 5 and a methoxy group at position 4. A phytoestrogen, it has putative benefits in dietary cancer prophylaxis. Widespread isoflavone found in alfalfa (Medicago sativa), chick peas (Cicer arietinum) and white clover (Trifolium repens). Glycosides also widespread. Potential nutriceutical D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9176; ORIGINAL_PRECURSOR_SCAN_NO 9175 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4338; ORIGINAL_PRECURSOR_SCAN_NO 4335 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9201; ORIGINAL_PRECURSOR_SCAN_NO 9199 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9188; ORIGINAL_PRECURSOR_SCAN_NO 9183 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4313; ORIGINAL_PRECURSOR_SCAN_NO 4310 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9213; ORIGINAL_PRECURSOR_SCAN_NO 9210 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4329; ORIGINAL_PRECURSOR_SCAN_NO 4326 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9187; ORIGINAL_PRECURSOR_SCAN_NO 9186 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4328; ORIGINAL_PRECURSOR_SCAN_NO 4326 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4310; ORIGINAL_PRECURSOR_SCAN_NO 4307 CONFIDENCE standard compound; INTERNAL_ID 960; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9197; ORIGINAL_PRECURSOR_SCAN_NO 9194 IPB_RECORD: 181; CONFIDENCE confident structure Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively. Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively. Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively.
Calycosin
Calycosin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3 position and a methoxy group at the 4 position. It has a role as a metabolite and an antioxidant. It is a member of 7-hydroxyisoflavones and a member of 4-methoxyisoflavones. It is functionally related to an isoflavone. It is a conjugate acid of a calycosin(1-). Calycosin is a natural product found in Thermopsis lanceolata, Hedysarum polybotrys, and other organisms with data available. A polyphenol metabolite detected in biological fluids [PhenolExplorer] Calycosin is a natural compound with antioxidant and anti-inflammatory activity. Calycosin is a natural compound with antioxidant and anti-inflammatory activity.
Genkwanin
Genkwanin, also known as 5,4-dihydroxy-7-methoxyflavone or 7-methylapigenin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, genkwanin is considered to be a flavonoid lipid molecule. Genkwanin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Genkwanin is a bitter tasting compound and can be found in a number of food items such as winter savory, sweet basil, rosemary, and common sage, which makes genkwanin a potential biomarker for the consumption of these food products. Genkwanin is an O-methylated flavone, a type of flavonoid. It can be found in the seeds of Alnus glutinosa, and the leaves of the ferns Notholaena bryopoda and Asplenium normale . Genkwanin is a major non-glycosylated flavonoid with anti-flammatory activities. Genkwanin is a major non-glycosylated flavonoid with anti-flammatory activities.
Acacetin
5,7-dihydroxy-4-methoxyflavone is a monomethoxyflavone that is the 4-methyl ether derivative of apigenin. It has a role as an anticonvulsant and a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is functionally related to an apigenin. It is a conjugate acid of a 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate. Acacetin is a natural product found in Verbascum lychnitis, Odontites viscosus, and other organisms with data available. Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research[1][2]. Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research[1][2].
Parietin
Physcion is a dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources. It has a role as an apoptosis inducer, an antineoplastic agent, a hepatoprotective agent, an anti-inflammatory agent, an antibacterial agent, an antifungal agent and a metabolite. It is functionally related to a 2-methylanthraquinone. Physcion is a natural product found in Rumex dentatus, Ageratina altissima, and other organisms with data available. See also: Reynoutria multiflora root (part of); Frangula purshiana Bark (part of). A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources. [Raw Data] CBA82_Physcion_pos_10eV.txt [Raw Data] CBA82_Physcion_pos_30eV.txt [Raw Data] CBA82_Physcion_pos_50eV.txt [Raw Data] CBA82_Physcion_pos_40eV.txt [Raw Data] CBA82_Physcion_pos_20eV.txt
Obtusifolin
Obtusifolin is a dihydroxyanthraquinone. Obtusifolin is a natural product found in Senna obtusifolia and Senna tora with data available. Obtusifolin, isolated from the seeds of Cassia obtusifolia, regulates the gene expression and production of MUC5AC mucin in airway epithelial cells via inhibiting NF-kB pathway[1]. Obtusifolin suppresses phthalate esters-induced breast cancer bone metastasis by targeting parathyroid hormone-related protein[2]. Obtusifolin, isolated from the seeds of Cassia obtusifolia, regulates the gene expression and production of MUC5AC mucin in airway epithelial cells via inhibiting NF-kB pathway[1]. Obtusifolin suppresses phthalate esters-induced breast cancer bone metastasis by targeting parathyroid hormone-related protein[2].
Glycitein
Glycitein is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4. It has been isolated from the mycelia of the fungus Cordyceps sinensis. It has a role as a plant metabolite, a phytoestrogen and a fungal metabolite. It is a methoxyisoflavone and a 7-hydroxyisoflavone. It is functionally related to an isoflavone. Glycitein is a natural product found in Psidium guajava, Ammopiptanthus mongolicus, and other organisms with data available. Glycitein is a soy isoflavone. It is a minor component in most soy products. Its role of reducing low-density lipoprotein cholesterol is not clear. Glycitein is metabolized by human gut microorganisms and may follow metabolic pathways similar to other soy isoflavones (PMID: 12011578; 16248547). Glycitein is a biomarker for the consumption of soy beans and other soy products. Isoflavone present in soya foods (inc. tofu, miso); potential nutriceutical [DFC]. Glycitein is a biomarker for the consumption of soy beans and other soy products. Glycitein is found in many foods, some of which are miso, soy bean, soy milk, and soy sauce. A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4. It has been isolated from the mycelia of the fungus Cordyceps sinensis. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Glycitein is a soy isoflavone used to study apoptosis and antioxidant. Glycitein is a soy isoflavone used to study apoptosis and antioxidant.
Diazepam
Diazepam is a benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of gamma-aminobutyric acid activity. It is used in the treatment of severe anxiety disorders, as a hypnotic in the short-term management of insomnia, as a sedative and premedicant, as an anticonvulsant, and in the management of alcohol withdrawal syndrome. (From Martindale, The Extra Pharmacopoeia, 30th ed, p589). Diazepam, first marketed as Valium by Hoffmann-La Roche, is a benzodiazepine derivative drug. It is commonly used for treating anxiety, insomnia, seizures including status epilepticus, muscle spasms (such as in cases of tetanus), restless legs syndrome, alcohol withdrawal, benzodiazepine withdrawal and Ménières disease. Diazepam is found in potato and common wheat. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D005765 - Gastrointestinal Agents > D000932 - Antiemetics CONFIDENCE standard compound; EAWAG_UCHEM_ID 2626 CONFIDENCE standard compound; INTERNAL_ID 4084 CONFIDENCE standard compound; INTERNAL_ID 1608 CONFIDENCE standard compound; INTERNAL_ID 8560
Xanthosine
C10H12N4O6 (284.07568119999996)
Xanthosine, also known as xanthine riboside, belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Xanthosine is a nucleoside derived from xanthine and ribose. Xanthosine exists in all living species, ranging from bacteria to plants to humans. In plants xanthosine is the biosynthetic precursor to 7-methylxanthosine which is produced by the action of the enzyme known as 7-methylxanthosine synthase. 7-Methylxanthosine in turn is the precursor to theobromine (the active alkaloid in chocolate), which in turn is the precursor to caffeine, the active alkaloid in coffee and tea. Within humans, xanthosine participates in a number of enzymatic reactions. In particular, xanthosine can be biosynthesized from xanthylic acid; which is catalyzed by the enzyme cytosolic purine 5-nucleotidase. In addition, xanthosine can be converted into xanthine and ribose 1-phosphate; which is mediated by the enzyme purine nucleoside phosphorylase. Xanthosine monophosphate (XMP) is an intermediate in purine metabolism, formed from IMP (inosine monophosphate). Biological Source: Production by guanine-free mutants of bacteria e.g. Bacillus subtilis, Aerobacter aerogenesand is also reported from seeds of Trifolium alexandrinum Physical Description: Prismatic cryst. (H2O) (Chemnetbase) The deamination product of guanosine; Xanthosine monophosphate is an intermediate in purine metabolism, formed from IMP, and forming GMP.; Xanthylic acid can be used in quantitative measurements of the Inosine monophosphate dehydrogenase enzyme activities in purine metabolism, as recommended to ensure optimal thiopurine therapy for children with acute lymphoblastic leukaemia (ALL). (PMID: 16725387). Xanthosine is found in many foods, some of which are calabash, rambutan, apricot, and pecan nut. Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 126 COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Xanthosine is a nucleoside derived from xanthine and ribose. Xanthosine can increase mammary stem cell population and milk production in cattle and goats[1]. Xanthosine is a nucleoside derived from xanthine and ribose. Xanthosine can increase mammary stem cell population and milk production in cattle and goats[1]. Xanthosine is a nucleoside derived from xanthine and ribose. Xanthosine can increase mammary stem cell population and milk production in cattle and goats[1].
(-)-Maackiain
(-)-maackiain is the (-)-enantiomer of maackiain. It is an enantiomer of a (+)-maackiain. Maackiain is a natural product found in Tephrosia virginiana, Leptolobium bijugum, and other organisms with data available. (-)-Maackiain. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2035-15-6 (retrieved 2024-07-09) (CAS RN: 2035-15-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1].
Wogonin
Wogonin is a dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. It has a role as a cyclooxygenase 2 inhibitor, an antineoplastic agent, an angiogenesis inhibitor and a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is a conjugate acid of a wogonin(1-). Wogonin is a natural product found in Scutellaria likiangensis, Scutellaria amoena, and other organisms with data available. A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. Annotation level-1 Wogonin is a naturally occurring mono-flavonoid, can inhibit the activity of CDK8 and Wnt, and exhibits anti-inflammatory and anti-tumor effects. Wogonin is a naturally occurring mono-flavonoid, can inhibit the activity of CDK8 and Wnt, and exhibits anti-inflammatory and anti-tumor effects.
Prunetin
Prunetin is a hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group. It has a role as a metabolite, an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor, an anti-inflammatory agent and an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It is a hydroxyisoflavone and a member of 7-methoxyisoflavones. It is functionally related to a genistein. It is a conjugate acid of a prunetin-5-olate. Prunetin is a natural product found in Iris milesii, Prunus leveilleana, and other organisms with data available. Occurs in several Prunus subspecies and Glycyrrhiza glabra (licorice). Prunetin is found in tea, herbs and spices, and sour cherry. Prunetin is found in herbs and spices. Prunetin occurs in several Prunus species and Glycyrrhiza glabra (licorice). A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group. Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2]. Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2]. Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2].
Xenognosin B
Isolated from Trifolium repens (white clover). 2-Hydroxyformononetin is found in many foods, some of which are daikon radish, chervil, pummelo, and turmeric. Xenognosin B is found in green vegetables. Xenognosin B is isolated from Trifolium repens (white clover
Melanettin
Melanettin is a constituent of the heartwood of Dalbergia melanoxylon [CCD]. Constituent of the heartwood of Dalbergia melanoxylon [CCD]
Questin
Questin is an antibacterial agent isolated from marine Aspergillus flavipes. Questin exhibits antibacterial activity against V. harveyi, V. anguillarum, V. cholerae, and V. parahemolyticus with MIC values of 31.25 μg/mL, 62.5 μg/mL, 62.5 μg/mL, and 125 μg/mL[1]. Questin is an antibacterial agent isolated from marine Aspergillus flavipes. Questin exhibits antibacterial activity against V. harveyi, V. anguillarum, V. cholerae, and V. parahemolyticus with MIC values of 31.25 μg/mL, 62.5 μg/mL, 62.5 μg/mL, and 125 μg/mL[1].
5,7-Dihydroxy-3-methoxyflavone
3-methylgalangin is a monomethoxyflavone that is galangin in which the hydroxy group at position 3 has been replaced by a methoxy group. It has a role as a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is functionally related to a galangin. Galangin 3-methyl ether is a natural product found in Gaga kaulfussii, Helichrysum aureum, and other organisms with data available. A monomethoxyflavone that is galangin in which the hydroxy group at position 3 has been replaced by a methoxy group. 5,7-Dihydroxy-3-methoxyflavone is found in herbs and spices. 5,7-Dihydroxy-3-methoxyflavone occurs in Galanga roo Occurs in Galanga root. 3-Methylgalangin is found in mexican oregano and herbs and spices. 3-O-Methylgalangin (Galangin 3-methyl ether) is a natural flavonoid compound from the rhizome of Alpinia officinarum (AO) with antibacterial activities, which also inhibits pancreatic lipase[1][2]. 3-O-Methylgalangin (Galangin 3-methyl ether) is a natural flavonoid compound from the rhizome of Alpinia officinarum (AO) with antibacterial activities, which also inhibits pancreatic lipase[1][2]. 3-O-Methylgalangin (Galangin 3-methyl ether) is a natural flavonoid compound from the rhizome of Alpinia officinarum (AO) with antibacterial activities, which also inhibits pancreatic lipase[1][2].
9-Hydroxybenzo[a]pyrene-4,5-oxide
9-Hydroxybenzo[a]pyrene-4,5-oxide is also known as 9-OH-BaP-4,5-oxide. 9-Hydroxybenzo[a]pyrene-4,5-oxide is considered to be practically insoluble (in water) and acidic
Genkwanin
Genkwanin is a monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. It has a role as a metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is functionally related to an apigenin. It is a conjugate acid of a genkwanin(1-). Genkwanin is a natural product found in Odontites viscosus, Eupatorium capillifolium, and other organisms with data available. A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. Genkwanin is a major non-glycosylated flavonoid with anti-flammatory activities. Genkwanin is a major non-glycosylated flavonoid with anti-flammatory activities.
(-)-Maackiain
(-)-Maackiain is found in chickpea. (-)-Maackiain is widespread in the Leguminosae subfamily. (-)-Maackiain is a constituent of Trifolium pratense (red clover). (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1].
Mazindol
Mazindol is only found in individuals that have used or taken this drug. It is a tricyclic anorexigenic agent unrelated to and less toxic than amphetamine, but with some similar side effects. It inhibits uptake of catecholamines and blocks the binding of cocaine to the dopamine uptake transporter. [PubChem]Although the mechanism of action of the sympathomimetics in the treatment of obesity is not fully known, these medications have pharmacological effects similar to those of amphetamines. Unlike other sympathomimetic appetite suppressants such as phentermine, mazindol is thought to inhibit the reuptake of norepinephrine rather than to cause its release. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Oroxylin A
Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A inhibits the IL-6/STAT3 pathway and NF-κB signaling, inhibits cell proliferation and induces apoptosis. Oroxylin A inhibits colitis-related carcinogenesis[1][2][3][4][5]. Oroxylin A is an active flavonoid compound with strong anti-cancer effects.
Stevenin
Stevenin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-hydroxy-2-(4-hydroxy-3-methoxybenzylidene)benzofuran-3(2h)-one
Farnisin
Farnisin is a constituent of the seeds of Acacia farnesiana (sweet acacia)
Negletein
Negletein is a neuroprotectant enhances the action of nerve growth factor and induces neurite outgrowth in PC12 cells. Negletein shows promising anti-inflammatory activity via inhibition of TNF-α and IL-1β with IC50 values of 16.4 and 10.8 μM, respectively[1]. Negletein is a neuroprotectant enhances the action of nerve growth factor and induces neurite outgrowth in PC12 cells. Negletein shows promising anti-inflammatory activity via inhibition of TNF-α and IL-1β with IC50 values of 16.4 and 10.8 μM, respectively[1].
1,5-Dihydroxy-2-methoxy-6-methylanthraquinone
1,5-Dihydroxy-2-methoxy-6-methylanthraquinone is found in fruits. 1,5-Dihydroxy-2-methoxy-6-methylanthraquinone is isolated from the stem bark of Aegle marmelos (baelfruit). Isolated from the stem bark of Aegle marmelos (baelfruit). 1,5-Dihydroxy-2-methoxy-6-methylanthraquinone is found in fruits.
2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran
2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran is found in cereals and cereal products. 2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran is found in Bakers yeas
Cajaquinone
Cajaquinone is found in pigeon pea. Cajaquinone is isolated from the root of Cajanus cajan (pigeon pea). Isolated from the root of Cajanus cajan (pigeon pea). Cajaquinone is found in pigeon pea and pulses.
Tyrosyl-Cysteine
Tyrosyl-Cysteine is a dipeptide composed of tyrosine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Cysteinyl-Tyrosine
Cysteinyl-Tyrosine is a dipeptide composed of cysteine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
6-Thioinosinic acid
6-Thioinosinic acid is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia) C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-?Thioinosine (6TI) is a purine antimetabolite, acts as an anti-adipogenesis agent, downregulates mRNA levels of PPAR γ and C/EBPα, as well as PPAR γ target protein such as LPL, CD36, aP2, and LXRα[1][2].
Phenytoin catechol
Phenytoin catechol is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
4'-Azidocytidine
Ataluren
C78281 - Agent Affecting Musculoskeletal System M - Musculo-skeletal system
4(3H)-Quinazolinone, 3-(4-chloro-2-methylphenyl)-2-methyl-
4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-
4(3H)-Quinazolinone, 3-(5-chloro-2-methylphenyl)-2-methyl-
Benzo[a]pyrene diol
Nolatrexed
C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
Taurolidine
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents C254 - Anti-Infective Agent
5-O-Methylgenistein
5-o-methylgenistein is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, 5-o-methylgenistein is considered to be a flavonoid lipid molecule. 5-o-methylgenistein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-o-methylgenistein can be found in scarlet bean, which makes 5-o-methylgenistein a potential biomarker for the consumption of this food product.
L-arginino-succinate
C10H12N4O6 (284.07568119999996)
L-arginino-succinate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). L-arginino-succinate can be found in a number of food items such as garden tomato (variety), cascade huckleberry, mountain yam, and bog bilberry, which makes L-arginino-succinate a potential biomarker for the consumption of these food products.
Oroxylin_A
Oroxylin A is a dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6. It has a role as an antineoplastic agent and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a monomethoxyflavone and a dihydroxyflavone. It is a conjugate acid of an oroxylin A(1-). Oroxylin A is a natural product found in Scutellaria likiangensis, Scutellaria amoena, and other organisms with data available. Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A inhibits the IL-6/STAT3 pathway and NF-κB signaling, inhibits cell proliferation and induces apoptosis. Oroxylin A inhibits colitis-related carcinogenesis[1][2][3][4][5]. Oroxylin A is an active flavonoid compound with strong anti-cancer effects.
Negletein
Negletein is a member of flavonoids and an ether. Negletein is a natural product found in Stachys palustris, Desmos chinensis, and other organisms with data available. Negletein is a neuroprotectant enhances the action of nerve growth factor and induces neurite outgrowth in PC12 cells. Negletein shows promising anti-inflammatory activity via inhibition of TNF-α and IL-1β with IC50 values of 16.4 and 10.8 μM, respectively[1]. Negletein is a neuroprotectant enhances the action of nerve growth factor and induces neurite outgrowth in PC12 cells. Negletein shows promising anti-inflammatory activity via inhibition of TNF-α and IL-1β with IC50 values of 16.4 and 10.8 μM, respectively[1].
2-Hydroxy-4-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
Acacetin
5,7-dihydroxy-4-methoxyflavone is a monomethoxyflavone that is the 4-methyl ether derivative of apigenin. It has a role as an anticonvulsant and a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is functionally related to an apigenin. It is a conjugate acid of a 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate. Acacetin is a natural product found in Verbascum lychnitis, Odontites viscosus, and other organisms with data available. A monomethoxyflavone that is the 4-methyl ether derivative of apigenin. 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one, also known as 4-methoxy-5,7-dihydroxyflavone or acacetin, is a member of the class of compounds known as 4-o-methylated flavonoids. 4-o-methylated flavonoids are flavonoids with methoxy groups attached to the C4 atom of the flavonoid backbone. Thus, 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one is considered to be a flavonoid lipid molecule. 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one can be synthesized from apigenin. 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one is also a parent compound for other transformation products, including but not limited to, acacetin-7-O-beta-D-galactopyranoside, acacetin-8-C-neohesperidoside, and isoginkgetin. 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one can be found in ginkgo nuts, orange mint, and winter savory, which makes 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one a potential biomarker for the consumption of these food products. Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.223 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.225 Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research[1][2]. Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research[1][2].
physcion
Physcion, also known as emodin monomethyl ether or parienin, is a member of the class of compounds known as anthraquinones. Anthraquinones are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Physcion is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Physcion can be synthesized from 2-methylanthraquinone. Physcion can also be synthesized into torososide B and physcion 8-gentiobioside. Physcion can be found in common sage, garden rhubarb, and sorrel, which makes physcion a potential biomarker for the consumption of these food products. Physcion has also been shown to protect lichens against UV-B light, at high altitudes in Alpine regions. The UV-B light stimulates production of parietin and the parietin protects the lichens from damage. Lichens in arctic regions such as Svarlbard retain this capability though they do not encounter damaging levels of UV-B, a capability that could help protect the lichens in case of Ozone layer thinning .
7,3-Dihydroxy-5-methoxyisoflavone
7,3-Dihydroxy-5-methoxyisoflavone is a natural product found in Dalbergia odorifera with data available.
Thevetiaflavone
Thevetiaflavone is a natural product found in Brucea javanica, Heliotropium sinuatum, and other organisms with data available.
3-Methoxydaidzein
7,4-dihydroxy-3-methoxyisoflavone is a member of the class of 7-hydroxyisoflavones that is 7,4-dihydroxyisoflavone substituted by a methoxy group at position 3. It is isolated from the heart woods of Maackia amurensis subsp buergeri and Dalbergia louveli and exhibits antiplasmodial ativity. It has a role as a metabolite and an antiplasmodial drug. It is a methoxyisoflavone and a member of 7-hydroxyisoflavones. 3-Methoxydaidzein is a natural product found in Dalbergia parviflora, Dalbergia spruceana, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is 7,4-dihydroxyisoflavone substituted by a methoxy group at position 3. It is isolated from the heart woods of Maackia amurensis subsp buergeri and Dalbergia louveli and exhibits antiplasmodial ativity.
Oroxylin A
Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A inhibits the IL-6/STAT3 pathway and NF-κB signaling, inhibits cell proliferation and induces apoptosis. Oroxylin A inhibits colitis-related carcinogenesis[1][2][3][4][5]. Oroxylin A is an active flavonoid compound with strong anti-cancer effects.
Geraldone
A dihydroxyflavone that is the 5-deoxy-derivative of 4,5,7-trihydroxy-3-methoxyflavone (chrysoeriol).
olmelin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively. Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively. Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively.
Cyclosin
Calycosin is a natural compound with antioxidant and anti-inflammatory activity. Calycosin is a natural compound with antioxidant and anti-inflammatory activity.
3-methylgalangin
3-O-Methylgalangin (Galangin 3-methyl ether) is a natural flavonoid compound from the rhizome of Alpinia officinarum (AO) with antibacterial activities, which also inhibits pancreatic lipase[1][2]. 3-O-Methylgalangin (Galangin 3-methyl ether) is a natural flavonoid compound from the rhizome of Alpinia officinarum (AO) with antibacterial activities, which also inhibits pancreatic lipase[1][2]. 3-O-Methylgalangin (Galangin 3-methyl ether) is a natural flavonoid compound from the rhizome of Alpinia officinarum (AO) with antibacterial activities, which also inhibits pancreatic lipase[1][2].
Genkwanin
Genkwanin is a major non-glycosylated flavonoid with anti-flammatory activities. Genkwanin is a major non-glycosylated flavonoid with anti-flammatory activities.
Prunetin
Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2]. Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2]. Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2].
3-{[2-(3-Cyano-2-pyridinyl)hydrazino]carbonyl}-2-pyrazinecarboxylic acid
C12H8N6O3 (284.06578579999996)
Brazilein
A organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood).
Obtusifolin
Obtusifolin is a dihydroxyanthraquinone. Obtusifolin is a natural product found in Senna obtusifolia and Senna tora with data available. Obtusifolin, isolated from the seeds of Cassia obtusifolia, regulates the gene expression and production of MUC5AC mucin in airway epithelial cells via inhibiting NF-kB pathway[1]. Obtusifolin suppresses phthalate esters-induced breast cancer bone metastasis by targeting parathyroid hormone-related protein[2]. Obtusifolin, isolated from the seeds of Cassia obtusifolia, regulates the gene expression and production of MUC5AC mucin in airway epithelial cells via inhibiting NF-kB pathway[1]. Obtusifolin suppresses phthalate esters-induced breast cancer bone metastasis by targeting parathyroid hormone-related protein[2].
(e)-3-(3,4-dihydroxybenzylidene)-7-hydroxychroman-4-one
Schwefelsaeure-mono-[3-(2-dimethylamino-aethyl)-indol-5-ylester]|sulfuric acid mono-[3-(2-dimethylamino-ethyl)-indol-5-yl ester]
1,8-dihydroxy-6-methoxy-2-methyl-anthraquinone|6-Me ether-1,6,8-Trihydroxy-2-methylanthraquinone
5,6-Dihydroxy-8-methoxy-2-phenyl-chromen-4-on|5,6-dihydroxy-8-methoxy-2-phenyl-chromen-4-one|5,6-dihydroxy-8-methoxyflavone|wogonin
6,7-dihydroxy-4-methoxy-4-phenylcoumarin|6,7-dihydroxy-4-(4-methoxy-phenyl)-chromen-2-one|6,7-Dihydroxy-4-(4-methoxy-phenyl)-cumarin
(E)-3-(4-hydroxybenzylidene)-6-hydroxy-4-methoxybenzo-2(3H)-furanone|4,6-dihydroxy-4-methoxyisoaurone
7-Hydroxy-5,6-dimethoxy-1,4-phenanthrene-quinone|7-hydroxy-5,6-dimethoxy-1,4-phenanthrenequinone
9,10-Anthracenedione, 1,3-dihydroxy-4-methoxy-2-methyl-
1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
1,6-dihydroxy-7-methoxy-2-methylanthraquinone|heterophylline
methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
A member of the class of xanthones that is 9H-xanthene substituted by a hydroxy group at position 8. a methyl group at position 6, an oxo group at position 9 and a methoxy carbonyl at position 1. It has been isolated from the fungus Aspergillus sydowii.
3,6-dihydroxy-1-methoxy-7-methylanthraquinone|Cajachinon
1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone
A member of the class of hydroxyanthraquinones that is 9,10-anthraquinone substituted by hydroxy groups at positions 1 and 3, a methyl group at position 2 and a methoxy group at position 6. It has been isolated from the roots of Rubia yunnanensis.
5,3-dihydroxy-7-methoxyflavone|5-Hydroxy-2-(3-hydroxy-phenyl)-7-methoxy-chromen-4-on|5-hydroxy-2-(3-hydroxy-phenyl)-7-methoxy-chromen-4-one
methyl 3,6-dihydroxy-2-[2-(2-hydroxyphenyl)ethynyl]benzoate
7-hydroxy-3-(2-hydroxy-5-methoxyphenyl)chromen-4-one
Erythribyssin B|[3,9-dihydroxy-(6aR,11aR)-10-formyl]pterocarpan
1,8-Dihydroxy-3-(hydroxymethyl)-6-methylanthracene-9,10-dione
1-HYDROXY-2-(HYDROXYMETHYL)-3-METHOXYANTHRACENE-9,10-DIONE
1,5-dihydroxy-3-methoxy-7-methylanthracene-9,10-dione
4-(5-allyl-4,6-dioxo-2-thioxo-hexahydro-pyrimidin-5-yl)-pentanoic acid|5-Allyl-5-<1-methyl-3-carboxy-propyl>-2-thio-barbitursaeure
2-Methyl-4-methoxy-3,8-dihydroxy-9,10-anthraquinone
4,5,10-Trihydroxy-anthracen-2-carbonsaeure-methylester|4,5,10-trihydroxy-anthracene-2-carboxylic acid methyl ester|Monorhein-anthranol
Rubianthraquinone
A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 3 and 6, a methoxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.
Glycitein
A natural product found in Cordyceps sinensis. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Glycitein is a soy isoflavone used to study apoptosis and antioxidant. Glycitein is a soy isoflavone used to study apoptosis and antioxidant.
Sappanone_A
Sappanone A is a natural product found in Biancaea decapetala, Biancaea sappan, and Caesalpinia pulcherrima with data available. Sappanone A is a homoisoflavanone which exhibits anti-inflammatory effects via modulation of Nrf2 and NF-κB. Sappanone can attenuate allergic airway inflammation in Ovalbumin-induced asthma[1].
8YF10MN2ZW
Damnacanthol is a natural product found in Damnacanthus major, Neonauclea calycina, and other organisms with data available.
Biochanin A
Annotation level-1 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens relative retention time with respect to 9-anthracene Carboxylic Acid is 1.140 D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.141 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.139 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.137 IPB_RECORD: 2161; CONFIDENCE confident structure Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively. Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively. Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively.
Biochanin_A
Acquisition and generation of the data is financially supported by the Max-Planck-Society
3(4-Chlorophenyl)-4,6-dimethylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.346 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.348
Xanthosine
C10H12N4O6 (284.07568119999996)
A purine nucleoside in which xanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.057 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 Xanthosine is a nucleoside derived from xanthine and ribose. Xanthosine can increase mammary stem cell population and milk production in cattle and goats[1]. Xanthosine is a nucleoside derived from xanthine and ribose. Xanthosine can increase mammary stem cell population and milk production in cattle and goats[1]. Xanthosine is a nucleoside derived from xanthine and ribose. Xanthosine can increase mammary stem cell population and milk production in cattle and goats[1].
7-Hydroxy-3-(2-methoxy-phenoxy)-chromen-4-one
Questin_120240
Questin is an antibacterial agent isolated from marine Aspergillus flavipes. Questin exhibits antibacterial activity against V. harveyi, V. anguillarum, V. cholerae, and V. parahemolyticus with MIC values of 31.25 μg/mL, 62.5 μg/mL, 62.5 μg/mL, and 125 μg/mL[1]. Questin is an antibacterial agent isolated from marine Aspergillus flavipes. Questin exhibits antibacterial activity against V. harveyi, V. anguillarum, V. cholerae, and V. parahemolyticus with MIC values of 31.25 μg/mL, 62.5 μg/mL, 62.5 μg/mL, and 125 μg/mL[1].
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one
7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
2-Hydroxyformononetin
A methoxyisoflavone that is formononetin with a hydroxy group at position 2.
Calycosin
Calycosin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3 position and a methoxy group at the 4 position. It has a role as a metabolite and an antioxidant. It is a member of 7-hydroxyisoflavones and a member of 4-methoxyisoflavones. It is functionally related to an isoflavone. It is a conjugate acid of a calycosin(1-). Calycosin is a natural product found in Thermopsis lanceolata, Hedysarum polybotrys, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3 position and a methoxy group at the 4 position. Calycosin is a natural compound with antioxidant and anti-inflammatory activity. Calycosin is a natural compound with antioxidant and anti-inflammatory activity.
diazepam
A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D005765 - Gastrointestinal Agents > D000932 - Antiemetics
(2Z)-6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one
Xanthosine (Not validated)
C10H12N4O6 (284.07568119999996)
Annotation level-2
(2Z)-6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one_major
mazindol
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Maackiain
Widespread in the Leguminosae subfamily. Constituent of Trifolium pratense (red clover). (-)-Maackiain is found in many foods, some of which are nectarine, chickpea, alaska blueberry, and adzuki bean. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1].
2-Benzofuranyl-3-methoxy-4,5-methylenedioxyphenol
1,5-dihydroxy-2-methoxy-6-methylanthraquinone
4-chloro-3-methyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
4-CHLORO-2-(4-METHOXY-PHENYL)-5-METHYL-QUINAZOLINE
2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazinane-4-carboxylic acid
2-mercapto-3-(2-methoxy-phenyl)-3h-quinazolin-4-one
4-CHLORO-2-(4-METHOXY-PHENYL)-6-METHYL-QUINAZOLINE
5-THIOPHEN-2-YL-2-P-TOLYL-2H-PYRAZOLE-3-CARBOXYLICACID
3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol
4(1H)-Quinazolinone,2,3-dihydro-3-(3-methoxyphenyl)-2-thioxo-
RO-9187
RO-9187 is a potent inhibitor of HCV virus replication with an IC50 of 171 nM. RO-9187 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
C13H11F3N2O2 (284.07725819999996)
METHYL 2-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]BENZOATE
C13H11F3N2O2 (284.07725819999996)
2-(4-HYDROXY-3-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid
METHYL 4-(5-AMINO-6-HYDROXYBENZO[D]OXAZOL-2-YL)BENZOATE
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHYL)PIPERAZINE
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine,hydrochloride
7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbothioamide
(1-phenyl-1h-benzoimidazol-2-ylsulfanyl)-acetic acid
1-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
5-THIOPHEN-2-YL-2-O-TOLYL-2H-PYRAZOLE-3-CARBOXYLICACID
9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
R-1479
R-1479 (4'-Azidocytidine), a nucleoside analogue, is a specific inhibitor of RNA-dependent RNA polymerase (RdRp) of HCV. R-1479 inhibits HCV replication in the HCV subgenomic replicon system (IC50=1.28 μM)[1][2][3]. R-1479 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
4-OXO-2,6-DIPHENYL-4H-4LAMBDA*5*-[1,4]OXAPHOSPHININ-4-OL
2-methyl-4-methylsulfanyl-5-[4-(trifluoromethyl)phenyl]pyrimidine
3-Chloro-10,11-dihydro-5H-benzo[d]naphtho[2,3-b]pyran-8(9H)-one
D-glycero-D-gulo-Heptonicacid, monosodium salt, dihydrate (8CI,9CI)
4-(4-amino-3-methylphenyl)-2-methylaniline,dihydrochloride
3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
C13H11F3N2O2 (284.07725819999996)
2-(3-Chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H18BClO2S (284.08090280000005)
Trolnitrate
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
2-(6-OXO-6H-BENZO[C]CHROMEN-3-YLOXY)-PROPIONIC ACID
1-(4-FLUOROPHENYL)-3-METHYLTHIO-4,5-DIPHENYL-1H-PYRAZOLE
1-(Phenylsulfonyl)-2-vinyl-1H-pyrrolo[2,3-b]pyridine
5-Methyl-n-(5-oxo-4h-dithiolo(3,4-d)pyrrol-6-yl)hexanamide
N-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
4(3H)-Quinazolinone, 3-(4-chloro-2-methylphenyl)-2-methyl-
9,10-Dihydro-9,10[1,2]-benzenoanthracene-1,4-dione
2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
4-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
(R)-2-(Formyloxy)-3-(Phosphonooxy)propyl Pentanoate
Ataluren
C78281 - Agent Affecting Musculoskeletal System M - Musculo-skeletal system
Taurolidine
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents C254 - Anti-Infective Agent
1-(m-Chlorophenyl)-3-(1-methyl-4-oxo-2-imidazolin-2-yl)urea monohydrate
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Oroxylin
Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A is an active flavonoid compound with strong anti-cancer effects. Oroxylin A inhibits the IL-6/STAT3 pathway and NF-κB signaling, inhibits cell proliferation and induces apoptosis. Oroxylin A inhibits colitis-related carcinogenesis[1][2][3][4][5]. Oroxylin A is an active flavonoid compound with strong anti-cancer effects.
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(2-methoxyphenyl)-
6alpha-[(R)-1-Hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylate
(6aS)-6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one
2-(1,3-Benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
4-[5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
4-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
2-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
C14H9FN4O2 (284.07095059999995)
(5,5-Dimethyl-2-oxotetrahydro-3-furanyl)methyl benzenesulfonate
C13H16O5S (284.07184060000003)
6beta-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylate
6alpha-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylate
7-Hydroxy-2-(3-hydroxyphenyl)-8-methoxychromen-4-one
7-chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-3-one
(1R,12R)-6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol
2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran
6-hydroxy-2-(4-hydroxy-3-methoxybenzylidene)benzofuran-3(2h)-one
LY2812223
LY2812223 is a highly potent, functionally selective mGlu2 receptor agonist with mGlu2 binding affinity for mGlu2 and mGlu3 (Ki=144 nM and 156 nM, respectively)[1].
Maackiain
Maackiain (DL-Maackiain) is isolated from Maackia amurensis Rupr.et Maxim. Maackiain (DL-Maackiain) is a larvicidal agent against Aedes aegypti mosquito.xp Parasitol with a LD50 of ?21.95 μg/mL[1]. Maackiain (DL-Maackiain) induces fragmentations of DNA to oligonucleosomal-sized fragments that like a characteristic of apoptosis in the HL-60 cells[2]. Maackiain (DL-Maackiain) is isolated from Maackia amurensis Rupr.et Maxim. Maackiain (DL-Maackiain) is a larvicidal agent against Aedes aegypti mosquito.xp Parasitol with a LD50 of ?21.95 μg/mL[1]. Maackiain (DL-Maackiain) induces fragmentations of DNA to oligonucleosomal-sized fragments that like a characteristic of apoptosis in the HL-60 cells[2].
5-chloro-2-(1-chlorohex-3-en-5-yn-1-yl)-8-ethyl-3,8-dihydro-2h-oxocine
5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-15-carbaldehyde
(3e)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-2h-1-benzopyran-4-one
6-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-1-benzofuran-3-carbaldehyde
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methylchromen-4-one
6,7-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
7-hydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one
10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one
6-(methoxycarbonyl)-5,10-dihydrophenazine-1-carboxylic acid
6,13-dihydroxy-5-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-3-one
1,2,4-trihydroxyanthraquinone; 1,4-di-me ether
{"Ingredient_id": "HBIN000664","Ingredient_name": "1,2,4-trihydroxyanthraquinone; 1,4-di-me ether","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "107953-78-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9604","PubChem_id": "NA","DrugBank_id": "NA"}
1,6,8-trihydroxy-2-methylanthraquinone; 6-me ether
{"Ingredient_id": "HBIN001777","Ingredient_name": "1,6,8-trihydroxy-2-methylanthraquinone; 6-me ether","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "NA","Ingredient_weight": "284.26","OB_score": "NA","CAS_id": "111228-19-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9494","PubChem_id": "NA","DrugBank_id": "NA"}
1-hydroxy-2-hydroxymethyl-3-methoxyanthraquinone
{"Ingredient_id": "HBIN002624","Ingredient_name": "1-hydroxy-2-hydroxymethyl-3-methoxyanthraquinone ","Alias": "1-hydroxy-2-hydroxymethyl-3-methoxyanthra-quinone","Ingredient_formula": "C16H12O5","Ingredient_Smile": "COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)CO","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10205","TCMSP_id": "NA","TCM_ID_id": "19377;19378","PubChem_id": "NA","DrugBank_id": "NA"}
5,4′-dihydroxy-7-methoxyflavone
{"Ingredient_id": "HBIN011047","Ingredient_name": "5,4\u2032-dihydroxy-7-methoxyflavone","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40931","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5 , 7-Dihydroxy-4'-methoxy-isoflavone
{"Ingredient_id": "HBIN011282","Ingredient_name": "5 , 7-Dihydroxy-4'-methoxy-isoflavone","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-3,7-dimethoxy-1,4-phenanthrene-quinone
{"Ingredient_id": "HBIN011605","Ingredient_name": "5-hydroxy-3,7-dimethoxy-1,4-phenanthrene-quinone","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "COC1=CC(=C2C(=C1)C=CC3=C2C(=O)C(=CC3=O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10034","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-dihydroxy-4'-methoxyflavone
{"Ingredient_id": "HBIN012071","Ingredient_name": "6,7-dihydroxy-4'-methoxyflavone","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "NA","Ingredient_weight": "284.26","OB_score": "NA","CAS_id": "129601-99-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7614","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-5,6-dimethoxy-1,4-phenanthrene-quinone
{"Ingredient_id": "HBIN013240","Ingredient_name": "7-hydroxy-5,6-dimethoxy-1,4-phenanthrene-quinone","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10035","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anthragallol-1,3-dimethylether
{"Ingredient_id": "HBIN016284","Ingredient_name": "anthragallol-1,3-dimethylether","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-85
{"Ingredient_id": "HBIN016340","Ingredient_name": "anticancer flavonoid pmv70p691-85","Alias": "NA","Ingredient_formula": "C16H12O5","Ingredient_Smile": "COC1=C(C=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-13,14-diol
7-hydroxy-2-(2-hydroxyphenyl)-5-methoxychromen-4-one
3,8-dihydroxy-4-(4-hydroxyphenyl)-6-methylchromen-2-one
1,8-dihydroxy-2-methoxy-6-methylanthracene-9,10-dione
8-chloro-3-methyl-1-phenyl-5h-2,3-benzodiazepin-4-one
5-(2-hydroxyacetyl)-10h-phenazine-1-carboxylic acid
{3-[2-(dimethylamino)ethyl]-1h-indol-5-yl}oxidanesulfonic acid
(2r,3z,5e,8r)-5-chloro-8-[(1r,3z)-1-chlorohex-3-en-5-yn-1-yl]-2-ethyl-7,8-dihydro-2h-oxocine
1,7-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
1,2-dihydroxy-8-methoxy-3-methylanthracene-9,10-dione
1,3-dihydroxy-4-methoxy-2-methylanthracene-9,10-dione
6-(4,5-dihydroxy-2-methylnaphthalen-1-yl)-4-hydroxypyran-2-one
9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2,6-diol
C10H12N4O6 (284.07568119999996)
5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-2h-1-benzopyran-4-one
5,10,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1(17),2,4,6,12,15-hexaen-14-one
5,10-dihydroxy-7-methoxy-2-methylanthracene-1,4-dione
1,3-dihydroxy-6-methoxy-2-methylanthracene-9,10-dione
7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)chromen-4-one
7-hydroxy-3-(4-hydroxybenzoyl)-2,3-dihydro-1-benzopyran-4-one
(1r,10r)-5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-15-carbaldehyde
1,2-dihydroxy-3-methoxy-4-methylanthracene-9,10-dione
5,7-dihydroxy-3-(2-hydroxyphenyl)-6-methylchromen-4-one
n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}-5-methylhexanimidic acid
4-{4-[(1e)-2-carboxyeth-1-en-1-yl]phenoxy}benzoic acid
2-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-benzofuran-6-ol
(2e)-6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one
7-hydroxy-4-(3-hydroxy-4-methoxyphenyl)chromen-2-one
n-[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]ethanimidic acid
(10s)-10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one
4,5-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
n-{2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl}carboximidic acid
7-chloro-1-methyl-5-phenyl-5h-1,4-benzodiazepin-2-one
2,7-dihydroxy-1-methoxy-3-methylanthracene-9,10-dione
2-[(1e)-2-(3-formyl-4-hydroxyphenyl)ethenyl]-4,6-dihydroxybenzaldehyde
3,6-dihydroxy-2-(methoxymethyl)anthracene-9,10-dione
7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-2-one
3,5-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
6-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
6-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
(1r,12r)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13,15,17-hexaen-15-ol
(3s)-7-hydroxy-3-(4-hydroxybenzoyl)-2,3-dihydro-1-benzopyran-4-one
12-hydroxy-6-methoxy-5-methyl-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),5,9,11,13-hexaene-4,7-dione
1,6-dihydroxy-5-methoxy-2-methylanthracene-9,10-dione
7-hydroxy-3-(4-hydroxyphenyl)-8-methoxychromen-4-one
1,6-dihydroxy-7-methoxy-2-methylanthracene-9,10-dione
3-methoxy-4-{4,6,10-trioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8,11-tetraen-11-yl}phenol
3-methoxy-4-{3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(12),2(6),7,9-tetraen-10-yl}phenol
5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]chromen-4-one
4-hydroxy-15-methoxy-6-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2,10-dione
5-methoxy-2-{4,6,10-trioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8,11-tetraen-11-yl}phenol
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
1,8-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one
methyl 4,12-dimethyl-10,11-dioxo-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5,7,9(13)-pentaene-8-carboxylate
5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)chromen-4-one
8-hydroxy-1,4,6-trimethylpyrido[3,2-g]quinoline-2,5,10-trione
7-hydroxy-3-(5-hydroxy-2-methoxyphenyl)chromen-4-one
1,7-dihydroxy-6-methoxy-2-methylanthracene-9,10-dione
5,13-dihydroxy-6-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-3-one
2-[2-(3-formyl-4-hydroxyphenyl)ethenyl]-4,6-dihydroxybenzaldehyde
2,8-dihydroxy-1-methoxy-6-methylanthracene-9,10-dione
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2,6-diol
C10H12N4O6 (284.07568119999996)
