1.0 2020-03-10 17:01:00 UTC 2020-04-22 18:55:59 UTC BMDB0096088 BMDB96088 Urolithin A 3,8-Dihydroxy-6H-dibenzo(b,D)pyran-6-one 3,8-dihydroxy-6H-benzo[c]chromen-6-one 3,8-dihydroxy-urolithin C13H8O4 228.2002 228.042258744 3,8-dihydroxy-6H-benzo[c]chromen-6-one 3,8-dihydroxybenzo[c]chromen-6-one 1143-70-0 OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2 InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H RIUPLDUFZCXCHM-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 Organooxygen compounds Oxacyclic compounds 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 Pyran Pyranone Aromatic heteropolycyclic compounds logp 2.16 ALOGPS logs -2.94 ALOGPS logp 2.32 ChemAxon pka_strongest_acidic 7.21 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,8-dihydroxy-6H-benzo[c]chromen-6-one ChemAxon average_mass 228.2002 ChemAxon mono_mass 228.042258744 ChemAxon smiles OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2 ChemAxon formula C13H8O4 ChemAxon inchi InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H ChemAxon inchikey RIUPLDUFZCXCHM-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 60.9 ChemAxon polarizability 22.26 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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 5579 Specdb::CMs 40172 Specdb::CMs 151717 Specdb::MsMs 8489 Specdb::MsMs 8490 Specdb::MsMs 8491 Specdb::MsMs 15161 Specdb::MsMs 15162 Specdb::MsMs 15163 Specdb::MsMs 2829382 Specdb::MsMs 2829383 Specdb::MsMs 2829384 Specdb::MsMs 2852239 Specdb::MsMs 2852240 Specdb::MsMs 2852241 4589709 FDB029999 5488186 C00053884 1280327 Urolithin A