1.0 2012-01-13 17:26:40 UTC 2025-11-19 02:59:56 UTC FDB029963 Urolithin C A polyphenol metabolite detected in biological fluids [PhenolExplorer] C13H8O5 244.1996 244.037173366 3,8,9-trihydroxy-6H-benzo[c]chromen-6-one 3,8,9-trihydroxybenzo[c]chromen-6-one OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2 InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H HHXMEXZVPJFAIJ-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 1-hydroxy-2-unsubstituted benzenoids 2-benzopyrans Heteroaromatic compounds Hydrocarbon derivatives Isocoumarins and derivatives Lactones Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2-benzopyran Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Heteroaromatic compound Hydrocarbon derivative Isocoumarin Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Pyran Pyranone logp 2.26 ALOGPS logs -2.80 ALOGPS solubility 3.89e-01 g/l ALOGPS logp 2.01 ChemAxon pka_strongest_acidic 7.27 ChemAxon pka_strongest_basic -6.4 ChemAxon iupac 3,8,9-trihydroxy-6H-benzo[c]chromen-6-one ChemAxon average_mass 244.1996 ChemAxon mono_mass 244.037173366 ChemAxon smiles OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2 ChemAxon formula C13H8O5 ChemAxon inchi InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H ChemAxon inchikey HHXMEXZVPJFAIJ-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 62.88 ChemAxon polarizability 23.21 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5911 Specdb::CMs 41200 Specdb::CMs 151463 Specdb::MsMs 241108 Specdb::MsMs 241109 Specdb::MsMs 241110 Specdb::MsMs 243163 Specdb::MsMs 243164 Specdb::MsMs 243165 Specdb::MsMs 3053489 Specdb::MsMs 3053490 Specdb::MsMs 3053491 Specdb::MsMs 3116385 Specdb::MsMs 3116386 Specdb::MsMs 3116387 HMDB29218