1.0 2020-03-10 17:01:01 UTC 2020-04-22 18:55:59 UTC BMDB0096089 BMDB96089 Urolithin B 3-hydroxy-6H-benzo[c]chromen-6-one 3-hydroxy-urolithin C13H8O3 212.2008 212.047344122 3-hydroxy-6H-benzo[c]chromen-6-one 3-hydroxybenzo[c]chromen-6-one 1139-83-9 OC1=CC2=C(C=C1)C1=C(C=CC=C1)C(=O)O2 InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H WXUQMTRHPNOXBV-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 2.65 ALOGPS logs -3.17 ALOGPS logp 2.62 ChemAxon pka_strongest_acidic 7.67 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-hydroxy-6H-benzo[c]chromen-6-one ChemAxon average_mass 212.2008 ChemAxon mono_mass 212.047344122 ChemAxon smiles OC1=CC2=C(C=C1)C1=C(C=CC=C1)C(=O)O2 ChemAxon formula C13H8O3 ChemAxon inchi InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H ChemAxon inchikey WXUQMTRHPNOXBV-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 58.92 ChemAxon polarizability 21.21 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 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::MsMs 9593 Specdb::MsMs 9594 Specdb::MsMs 9595 Specdb::MsMs 16265 Specdb::MsMs 16266 Specdb::MsMs 16267 Specdb::MsMs 2411548 Specdb::MsMs 2411549 Specdb::MsMs 2411550 Specdb::MsMs 2550648 Specdb::MsMs 2550649 Specdb::MsMs 2550650 Specdb::CMs 5540 Specdb::CMs 40173 Specdb::CMs 154821 4528673 FDB030000 5380406 C00053885 1050862 Urolithin B