1.0 2010-04-08 22:06:34 UTC 2025-11-18 22:58:32 UTC FDB005199 Isoscopoletin Isoscopoletin, also known as 6-hydroxy-7-methoxycoumarin or 7-methoxyesculetin, is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Isoscopoletin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isoscopoletin can be found in coriander and eggplant, which makes isoscopoletin a potential biomarker for the consumption of these food products. 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy- 6-Hydroxy-7-methoxy-2-benzopyrone 6-Hydroxy-7-methoxycoumarin 7-Methoxyesculetin 7-Methyl esculetin Esculetin 7-methyl ether Isoscopoletin C10H8O4 192.1681 192.042258744 6-hydroxy-7-methoxy-2H-chromen-2-one 6-hydroxy-7-methoxychromen-2-one 776-86-3 COC1=C(O)C=C2C=CC(=O)OC2=C1 InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3 SYTYLPHCLSSCOJ-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Hydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Hydroxycoumarin Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone hydroxycoumarin logp 1.65 ALOGPS logs -1.91 ALOGPS solubility 2.35e+00 g/l ALOGPS logp 1.32 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 6-hydroxy-7-methoxy-2H-chromen-2-one ChemAxon average_mass 192.1681 ChemAxon mono_mass 192.042258744 ChemAxon smiles COC1=C(O)C=C2C=CC(=O)OC2=C1 ChemAxon formula C10H8O4 ChemAxon inchi InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3 ChemAxon inchikey SYTYLPHCLSSCOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 49.99 ChemAxon polarizability 18.31 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89139 Specdb::MsMs 89140 Specdb::MsMs 89141 Specdb::MsMs 152001 Specdb::MsMs 152002 Specdb::MsMs 152003 Specdb::MsMs 3042433 Specdb::MsMs 3042434 Specdb::MsMs 3042435 Specdb::MsMs 3097306 Specdb::MsMs 3097307 Specdb::MsMs 3097308 Specdb::MsIr 11152 Specdb::MsIr 11153 Specdb::MsIr 11154 Specdb::CMs 54432 Specdb::CMs 61267 Specdb::CMs 164625 Coriander Type 1 specific Coriandrum sativum 4047 Eggplant Type 1 specific Solanum melongena 4111 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).