1.02010-04-08 22:05:31 UTC2019-11-26 02:57:57 UTCFDB002774ScoparoneFound in several citrus oils2H-1-Benzopyran-2-one, 6,7-dimethoxy-6,7-Dimethoxy-2-benzopyrone6,7-Dimethoxy-2H-1-benzopyran-2-one6,7-Dimethoxy-2H-chromen-2-one6,7-Dimethoxy-benzopyran-2-one6,7-Dimethoxy-coumarin6,7-Dimethoxybenzopyran-2-one6,7-Dimethoxycoumarin6,7-DimethylesculetinAesculetin dimethyl etherBenzopyran-2-one, 6,7-dimethoxy-Benzopyran-2-one, 6,7-dimethoxy- (9CI)Coumarin, 6,7-dimethoxy-Dimethyl esculetinDimethylaesculetinEscoparoneEsculetin 6,7-dimethyl etherEsculetin dimethyl etherO-methylisoscopoletinO-methylscopoletinO,o-dimethylesculetinScoparin?ScoparonScoparoneScopoletin methyl etherC11H10O4206.197206.0579088026,7-dimethoxy-2H-chromen-2-onescoparone120-08-1COC1=C(OC)C=C2C=CC(=O)OC2=C1InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3GUAFOGOEJLSQBT-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).Coumarins and derivativesOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesAromatic heteropolycyclic compounds1-benzopyransAlkyl aryl ethersAnisolesHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPyranones and derivatives1-benzopyranAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranCoumarinEtherHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranonecoumarinscoumarinslogp1.80logs-2.71solubility4.06e-01 g/lmelting_pointMp 144°logp1.47pka_strongest_basic-4.6iupac6,7-dimethoxy-2H-chromen-2-oneaverage_mass206.197mono_mass206.057908802smilesCOC1=C(OC)C=C2C=CC(=O)OC2=C1formulaC11H10O4inchiInChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3inchikeyGUAFOGOEJLSQBT-UHFFFAOYSA-Npolar_surface_area44.76refractivity54.48polarizability20.38rotatable_bond_count2acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs5895Specdb::CMs27177Specdb::CMs27540Specdb::CMs100564Specdb::CMs100565Specdb::CMs134334Specdb::CMs142068Specdb::MsIr3986Specdb::MsIr3987Specdb::MsMs452041Specdb::MsMs2227557Specdb::MsMs2229574Specdb::MsMs2234271Specdb::MsMs2234731Specdb::MsMs2236623Specdb::MsMs2236767Specdb::MsMs2245000Specdb::MsMs2245097Specdb::MsMs2247138Specdb::MsMs2247172Specdb::MsMs2249107Specdb::MsMs2249263Specdb::MsMs2251102Specdb::MsMs2251317Specdb::MsMs2253097Specdb::MsMs2253355Specdb::MsMs2257057Specdb::MsMs2257515Specdb::MsMs2259086Specdb::MsMs2259496Specdb::MsMs111720Specdb::MsMs111721Specdb::MsMs111722Specdb::MsMs2682180HMDB30818#<Reference:0x0000555674612888>#<Reference:0x00005556746125e0>AniseType 1specificPimpinella anisum271192CitrusUnknowngenericFennelType 1specificFoeniculum vulgare48038LemonType 1specificCitrus limon2708LimeType 1specificCitrus aurantiifolia159033Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571Sweet orangeType 1specificCitrus sinensis271116.216.216.2mg/100 gTarragonType 1specificArtemisia dracunculus723410.80.80.8mg/100 gWild celeryType 1specificApium graveolens4045aldose 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 atherogenic136A 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 hepatotoxic328Any compound that is able to prevent damage to the liver.anti implantation364anti inflammatory370A substance that reduces or suppresses inflammation.anti ischemic377Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti proliferant547anti radicular572anti retinopathic580Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti spasmodic619Any substance introduced into a living organism with therapeutic or diagnostic purpose.cardiac764A 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.central nervous system depressant812A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.cholagogue800choleretic801hepatoprotective981Any compound that is able to prevent damage to the liver.hypocholesterolemic1016hypotensive1021immunosuppressant1033An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.myorelaxant1134tranquilizer1373vasodilator1413A drug used to cause dilation of the blood vessels.