1.0 2010-04-08 22:05:29 UTC 2025-11-18 22:39:51 UTC FDB002710 beta-Hydrojuglone Beta-hydrojuglone is a member of the class of 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). Beta-hydrojuglone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Beta-hydrojuglone can be found in black walnut, which makes beta-hydrojuglone a potential biomarker for the consumption of this food product. 2,3-Dihydro-5-hydroxy-1,4-naphthoquinone b-Hydrojuglone C10H8O3 176.1687 176.047344122 5-hydroxy-1,2,3,4-tetrahydronaphthalene-1,4-dione 5-hydroxy-2,3-dihydronaphthalene-1,4-dione 6312-53-4 OC1=CC=CC2=C1C(=O)CCC2=O InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2 VYTBDSUNRJYVHL-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 alkyl ketones Hydrocarbon derivatives Organic oxides Quinones Tetralins Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Hydrocarbon derivative Ketone Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Quinone Tetralin Vinylogous acid logp 1.73 ALOGPS logs -1.76 ALOGPS solubility 3.06e+00 g/l ALOGPS melting_point Mp 96-97° logp 1.48 ChemAxon pka_strongest_acidic 8.25 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 5-hydroxy-1,2,3,4-tetrahydronaphthalene-1,4-dione ChemAxon average_mass 176.1687 ChemAxon mono_mass 176.047344122 ChemAxon smiles OC1=CC=CC2=C1C(=O)CCC2=O ChemAxon formula C10H8O3 ChemAxon inchi InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2 ChemAxon inchikey VYTBDSUNRJYVHL-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 47.09 ChemAxon polarizability 17.11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 85221 Specdb::MsMs 101037 Specdb::MsMs 101038 Specdb::MsMs 101039 Specdb::MsMs 166539 Specdb::MsMs 166540 Specdb::MsMs 166541 Black walnut Type 1 specific Juglans nigra 16719