1.0 2010-04-08 22:11:00 UTC 2019-11-26 03:09:21 UTC FDB013956 Isoplumbagin Constituent of Juglans regia (walnut) and Juglans nigra (black walnut). Isoplumbagin is found in nuts. 8-Hydroxy-2-methyl-1,4-naphthalenedione, 9CI Isoplumbagin C11H8O3 188.1794 188.047344122 8-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione 8-hydroxy-2-methylnaphthalene-1,4-dione 14777-17-4 CC1=CC(=O)C2=C(C(O)=CC=C2)C1=O InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3 ZMOIGGHUSNHCAB-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). Naphthoquinones Organic compounds Benzenoids Naphthalenes Naphthoquinones Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones Hydrocarbon derivatives Organic oxides Quinones Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Ketone Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Quinone Vinylogous acid logp 2.16 ALOGPS logs -2.16 ALOGPS solubility 1.30e+00 g/l ALOGPS melting_point Mp 67-68° logp 2.24 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 8-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 188.1794 ChemAxon mono_mass 188.047344122 ChemAxon smiles CC1=CC(=O)C2=C(C(O)=CC=C2)C1=O ChemAxon formula C11H8O3 ChemAxon inchi InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3 ChemAxon inchikey ZMOIGGHUSNHCAB-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 52.52 ChemAxon polarizability 18.5 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6901 Specdb::MsIr 6902 Specdb::MsIr 6903 Specdb::CMs 22461 Specdb::CMs 44305 Specdb::CMs 164855 Specdb::MsMs 44469 Specdb::MsMs 44470 Specdb::MsMs 44471 Specdb::MsMs 120258 Specdb::MsMs 120259 Specdb::MsMs 120260 Specdb::MsMs 2475176 Specdb::MsMs 2475177 Specdb::MsMs 2475178 Specdb::MsMs 2491166 Specdb::MsMs 2491167 Specdb::MsMs 2491168 HMDB35291 #<Reference:0x000055ce3240fcd0> Nuts Unknown generic