1.0 2010-04-08 22:04:32 UTC 2025-11-18 22:17:03 UTC FDB000341 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl A polyphenol compound found in foods of plant origin (PhenolExplorer). C16H12N2O4 296.2775 296.079706882 3-(5,6-dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol 3-(5,6-dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2 InChI=1S/C16H12N2O4/c19-13-1-7-9(5-17-11(7)3-15(13)21)10-6-18-12-4-16(22)14(20)2-8(10)12/h1-6,17-22H UHYVKNUCMCSKMR-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. Hydroxyindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Indoles Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Substituted pyrroles 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Hydroxyindole Indole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 2.51 ALOGPS logs -2.95 ALOGPS solubility 3.33e-01 g/l ALOGPS logp 2.6 ChemAxon pka_strongest_acidic 8.39 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 3-(5,6-dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol ChemAxon average_mass 296.2775 ChemAxon mono_mass 296.079706882 ChemAxon smiles OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2 ChemAxon formula C16H12N2O4 ChemAxon inchi InChI=1S/C16H12N2O4/c19-13-1-7-9(5-17-11(7)3-15(13)21)10-6-18-12-4-16(22)14(20)2-8(10)12/h1-6,17-22H ChemAxon inchikey UHYVKNUCMCSKMR-UHFFFAOYSA-N ChemAxon polar_surface_area 112.5 ChemAxon refractivity 81.29 ChemAxon polarizability 29.78 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83934 Specdb::MsMs 83935 Specdb::MsMs 83936 Specdb::MsMs 145659 Specdb::MsMs 145660 Specdb::MsMs 145661 Specdb::MsMs 2691557 Specdb::MsMs 2691558 Specdb::MsMs 2691559 Specdb::MsMs 2991176 Specdb::MsMs 2991177 Specdb::MsMs 2991178 Specdb::CMs 26419 Specdb::CMs 41262 Specdb::CMs 154241 HMDB0029301