1.02010-04-08 22:05:31 UTC2020-02-24 19:10:37 UTCFDB002775AesculetinMetabolite of infected sweet potato. Aesculetin is found in many foods, some of which are root vegetables, wild carrot, sweet basil, and carrot.2H-1-Benzopyran-2-one, 6,7-dihydroxy-2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI)6,7-Dihydroxy-2-benzopyrone6,7-Dihydroxy-2H-1-benzopyran-2-one6,7-Dihydroxy-2H-chromen-2-one6,7-Dihydroxy-coumarin6,7-Dihydroxycoumarin6,7-Dihydroxycoumarin, 8CIAesculetinAesculetin (cichorigeninAsculetineCichorigeninCichorIIn agluconCichorIIn aglyconCoumarin, 6, 7-dihydroxy-Coumarin, 6,7-dihydroxy-Coumarin, 6,7-dihydroxy- EsculetinEsculatinEsculetinEsculetolesculetol)Esculin agluconEsculin aglyconC9H6O4178.143178.0266086736,7-dihydroxy-2H-chromen-2-oneesculetin305-01-1OC1=C(O)C=C2C=CC(=O)OC2=C1InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11HILEDWLMCKZNDJK-UHFFFAOYSA-N belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively.6,7-dihydroxycoumarinsOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesHydroxycoumarinsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxycoumarinsHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsPyranones and derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoid6,7-dihydroxycoumarin7-hydroxycoumarinAromatic heteropolycyclic compoundBenzenoidBenzopyranHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranonea coumarincoumarinshydroxycoumarinlogp1.38logs-1.59solubility4.60e+00 g/lmelting_pointMp 270°logp1.18pka_strongest_acidic7.91pka_strongest_basic-6.3iupac6,7-dihydroxy-2H-chromen-2-oneaverage_mass178.143mono_mass178.026608673smilesOC1=C(O)C=C2C=CC(=O)OC2=C1formulaC9H6O4inchiInChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11HinchikeyILEDWLMCKZNDJK-UHFFFAOYSA-Npolar_surface_area66.76refractivity45.51polarizability16.31rotatable_bond_count0acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::MsIr3988Specdb::MsIr3989Specdb::MsIr3990Specdb::EiMs1666Specdb::NmrOneD3865Specdb::NmrOneD4132Specdb::NmrOneD162229Specdb::NmrOneD162230Specdb::NmrOneD162231Specdb::NmrOneD162232Specdb::NmrOneD162233Specdb::NmrOneD162234Specdb::NmrOneD162235Specdb::NmrOneD162236Specdb::NmrOneD162237Specdb::NmrOneD162238Specdb::NmrOneD162239Specdb::NmrOneD162240Specdb::NmrOneD162241Specdb::NmrOneD162242Specdb::NmrOneD162243Specdb::NmrOneD162244Specdb::NmrOneD162245Specdb::NmrOneD162246Specdb::NmrOneD162247Specdb::NmrOneD162248Specdb::CMs6010Specdb::CMs27709Specdb::CMs42187Specdb::CMs100566Specdb::CMs172183Specdb::MsMs53373Specdb::MsMs53374Specdb::MsMs53375Specdb::MsMs140640Specdb::MsMs140641Specdb::MsMs140642Specdb::MsMs436942Specdb::MsMs436943Specdb::MsMs436944Specdb::MsMs438627Specdb::MsMs439283Specdb::MsMs439284Specdb::MsMs439505Specdb::MsMs439508Specdb::MsMs439804Specdb::MsMs439805Specdb::MsMs444939Specdb::MsMs444940Specdb::MsMs444941Specdb::MsMs444942Specdb::MsMs444943Specdb::MsMs447313Specdb::MsMs448215Specdb::MsMs449565Specdb::MsMs449567HMDB30819#<Reference:0x0000555675cf78c8>BarleyType 1specificHordeum vulgare4513BeerType 2specific0.00.00.0mg/100 gCarrotType 1specificDaucus carota ssp. sativus79200ChicoryType 1specificCichorium intybus13427Cocoa beanType 1specificTheobroma cacao3641Common beanType 1specificPhaseolus vulgaris3885DandelionType 1specificTaraxacum officinale50225DillType 1specificAnethum graveolens40922Grape wineType 2specific0.00.00.0mg/100 gHighbush blueberryType 1specificVaccinium corymbosum69266HorseradishType 1specificArmoracia rusticana3704MugwortType 1specificArtemisia vulgaris4220OliveType 1specificOlea europaea4146Opium poppyType 1specificPapaver somniferum3469PeanutType 1specificArachis hypogaea3818Root vegetablesUnknowngenericSherryType 2specific0.1166470.1166470590.116647059mg/100 gSweet basilType 1specificOcimum basilicum39350TarragonType 1specificArtemisia dracunculus72341Wild carrotType 1specificDaucus carota4039Wild leekType 1specificAllium ampeloprasum46815-lipoxygenase inhibitor10A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.aldose reductase inhibitor40An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).analgesic56An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.anti arrhythmic129A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.anti asthmatic134A drug used to treat asthma.anti bacterial145A substance that kills or slows the growth of bacteria.anti capillary-fragility160anti dysenteric238Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti escherichic269anti inflammatory370A substance that reduces or suppresses inflammation.anti mutagenic451anti pyretic567A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever.anti septic603A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.anti staphylococcic627A substance that kills or slows the growth of bacteria.antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.cancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.cardiodepressant766A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.choleretic801cosmetic838The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it.cytotoxic859A role played by the molecular entity or part thereof which causes the development of a pathological process.dermatitigenic875fungicide940A substance used to destroy fungal pests.hepatoprotective981Any compound that is able to prevent damage to the liver.hypertensive1007lipoxygenase inhibitor1077A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes.musculotropic1124myorelaxant1134pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.prostaglandin synthesis inhibitor1258A substance that diminishes the rate of a chemical reaction.sunscreen1337Any substance introduced into a living organism with therapeutic or diagnostic purpose.UV-screen1407Any substance introduced into a living organism with therapeutic or diagnostic purpose.xanthine oxidase inhibitor1431An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).