1.0 2010-04-08 22:09:55 UTC 2018-05-28 23:32:45 UTC FDB011950 1,2,8-Trihydroxy-3-methylanthraquinone Constituent of the roots of Myrsine africana (Cape myrtle). 1,2,8-Trihydroxy-3-methyl-9,10-anthracenedione, 9CI 2-Hydroxychrysophanol Norobtusifolin C15H10O5 270.2369 270.05282343 1,2,8-trihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione 2-hydroxychrysophanol 58322-78-4 CC1=CC2=C(C(O)=C1O)C(=O)C1=C(C=CC=C1O)C2=O InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3 CQNVSNFEXPKHGW-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Hydroxyanthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones Hydrocarbon derivatives Organic oxides Polyols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Hydroxyanthraquinone Ketone Organic oxide Organic oxygen compound Organooxygen compound Polyol Vinylogous acid Anthracenes and phenanthrenes Anthracenes and phenanthrenes Anthraquinone type hydroxyanthraquinones logp 2.71 ALOGPS logs -3.05 ALOGPS solubility 2.42e-01 g/l ALOGPS melting_point Mp 265° (255°) logp 3.82 ChemAxon pka_strongest_acidic 7.93 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1,2,8-trihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 270.2369 ChemAxon mono_mass 270.05282343 ChemAxon smiles CC1=CC2=C(C(O)=C1O)C(=O)C1=C(C=CC=C1O)C2=O ChemAxon formula C15H10O5 ChemAxon inchi InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3 ChemAxon inchikey CQNVSNFEXPKHGW-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 72.13 ChemAxon polarizability 26.43 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16168 Specdb::CMs 43505 Specdb::CMs 133424 Specdb::CMs 141158 Specdb::MsMs 71055 Specdb::MsMs 71056 Specdb::MsMs 71057 Specdb::MsMs 129663 Specdb::MsMs 129664 Specdb::MsMs 129665 Specdb::MsMs 2766857 Specdb::MsMs 2766858 Specdb::MsMs 2766859 Specdb::MsMs 2912090 Specdb::MsMs 2912091 Specdb::MsMs 2912092 HMDB33790 #<Reference:0x000055ce31bea870>