1.0 2010-04-08 22:05:31 UTC 2025-11-18 22:40:34 UTC FDB002774 Scoparone Found in several citrus oils 2H-1-Benzopyran-2-one, 6,7-dimethoxy- 6,7-Dimethoxy-2-benzopyrone 6,7-Dimethoxy-2H-1-benzopyran-2-one 6,7-Dimethoxy-2H-chromen-2-one 6,7-Dimethoxy-benzopyran-2-one 6,7-Dimethoxy-coumarin 6,7-Dimethoxybenzopyran-2-one 6,7-Dimethoxycoumarin 6,7-Dimethylesculetin Aesculetin dimethyl ether Benzopyran-2-one, 6,7-dimethoxy- Benzopyran-2-one, 6,7-dimethoxy- (9CI) Coumarin, 6,7-dimethoxy- Dimethyl esculetin Dimethylaesculetin Escoparone Esculetin 6,7-dimethyl ether Esculetin dimethyl ether O-methylisoscopoletin O-methylscopoletin O,o-dimethylesculetin Scoparin? Scoparon Scoparone Scopoletin methyl ether C11H10O4 206.197 206.057908802 6,7-dimethoxy-2H-chromen-2-one scoparone 120-08-1 COC1=C(OC)C=C2C=CC(=O)OC2=C1 InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 GUAFOGOEJLSQBT-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 derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone coumarins coumarins logp 1.80 ALOGPS logs -2.71 ALOGPS solubility 4.06e-01 g/l ALOGPS melting_point Mp 144° logp 1.47 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 6,7-dimethoxy-2H-chromen-2-one ChemAxon average_mass 206.197 ChemAxon mono_mass 206.057908802 ChemAxon smiles COC1=C(OC)C=C2C=CC(=O)OC2=C1 ChemAxon formula C11H10O4 ChemAxon inchi InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 ChemAxon inchikey GUAFOGOEJLSQBT-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 54.48 ChemAxon polarizability 20.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3986 Specdb::MsIr 3987 Specdb::CMs 5895 Specdb::CMs 27177 Specdb::CMs 27540 Specdb::CMs 100564 Specdb::CMs 100565 Specdb::CMs 134334 Specdb::CMs 142068 Specdb::MsMs 56334 Specdb::MsMs 56335 Specdb::MsMs 56336 Specdb::MsMs 111720 Specdb::MsMs 111721 Specdb::MsMs 111722 Specdb::MsMs 452041 Specdb::MsMs 2227557 Specdb::MsMs 2229574 Specdb::MsMs 2234271 Specdb::MsMs 2234731 Specdb::MsMs 2236623 Specdb::MsMs 2236767 Specdb::MsMs 2245000 Specdb::MsMs 2245097 Specdb::MsMs 2247138 Specdb::MsMs 2247172 Specdb::MsMs 2249107 Specdb::MsMs 2249263 Specdb::MsMs 2251102 Specdb::MsMs 2251317 Specdb::MsMs 2253097 Specdb::MsMs 2253355 Specdb::MsMs 2257057 Specdb::MsMs 2257515 HMDB30818 #<Reference:0x000055ce309843e8> #<Reference:0x000055ce30984190> Anise Type 1 specific Pimpinella anisum 271192 Citrus Unknown generic Fennel Type 1 specific Foeniculum vulgare 48038 Lemon Type 1 specific Citrus limon 2708 Lime Type 1 specific Citrus aurantiifolia 159033 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Sweet orange Type 1 specific Citrus sinensis 2711 16.2 16.2 16.2 mg/100 g Tarragon Type 1 specific Artemisia dracunculus 72341 0.8 0.8 0.8 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 Aldose reductase inhibitor 40 An 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). Analgesic 56 An 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 hepatotoxic 328 Any compound that is able to prevent damage to the liver. Anti implantation 364 Anti proliferant 547 Anti radicular 572 Anti retinopathic 580 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-atherogenic 136 A 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-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-ischemic 377 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Cardiac 764 A 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 depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Cholagogue 800 Choleretic 801 Hepatoprotective 981 Any compound that is able to prevent damage to the liver. Hypocholesterolemic 1016 Hypotensive 1021 Immunosuppressant 1033 An 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. Myorelaxant 1134 Tranquilizer 1373 Vasodilator 1413 A drug used to cause dilation of the blood vessels.