1.0 2010-04-08 22:06:29 UTC 2025-11-18 22:57:58 UTC FDB004984 Xanthyletin Xanthyletin is a member of the class of compounds known as linear pyranocoumarins. Linear pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Xanthyletin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xanthyletin can be found in lemon, lime, mandarin orange (clementine, tangerine), and sweet orange, which makes xanthyletin a potential biomarker for the consumption of these food products. 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 8,8-dimethyl- 8,8-Dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one 8,8-Dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one Xanthyletin Xanthyletine C14H12O3 228.2433 228.07864425 8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one xanthyletin 553-19-5 CC1(C)OC2=C(C=C1)C=C1C=CC(=O)OC1=C2 InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 QOTBQNVNUBKJMS-UHFFFAOYSA-N belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Linear pyranocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives 1-benzopyran 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Lactone Linear pyranocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone coumarins coumarins logp 3.05 ALOGPS logs -3.79 ALOGPS solubility 3.67e-02 g/l ALOGPS logp 2.68 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one ChemAxon average_mass 228.2433 ChemAxon mono_mass 228.07864425 ChemAxon smiles CC1(C)OC2=C(C=C1)C=C1C=CC(=O)OC1=C2 ChemAxon formula C14H12O3 ChemAxon inchi InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 ChemAxon inchikey QOTBQNVNUBKJMS-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 65.94 ChemAxon polarizability 24.11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 91701 Specdb::MsMs 91702 Specdb::MsMs 91703 Specdb::MsMs 155157 Specdb::MsMs 155158 Specdb::MsMs 155159 Specdb::MsMs 3601226 Specdb::MsMs 3601227 Specdb::MsMs 3601228 Specdb::MsMs 3601229 Specdb::MsMs 3601230 Specdb::MsMs 3601231 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 4500.0 4500.0 4500.0 mg/100 g Diabetic-macular-edema inhibitor 884 A substance that diminishes the rate of a chemical reaction.