1.0 2020-03-10 17:01:29 UTC 2020-04-22 18:56:10 UTC BMDB0096118 BMDB96118 Urolithin C Urolithin-C 3,8,9-trihydroxy-6H-benzo[c]chromen-6-one 3,8,9-trihydroxy-urolithin Trihydroxyurolithin 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). Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Coumarins and derivatives 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 Aromatic heteropolycyclic compounds logp 2.26 ALOGPS logs -2.80 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 number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes 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 FDB029963 25941971 C00053886 60198001