1.0 2010-04-08 22:09:34 UTC 2018-05-28 22:27:07 UTC FDB011289 Gossyrubilone Isolated from terminal leaves of Gossypium hirsutum (cotton). 6,7-Dihydroxy-2-methyl-5-[[(3-methylbutyl)imino]methyl]-8-(1-methylethyl)-1,4-naphthalenedione 6,7-Dihydroxy-5-(isobutyliminomethyl)-8-isopropyl-2-methyl-1,4-naphthoquinone C20H25NO4 343.4168 343.178358293 6,7-dihydroxy-2-methyl-5-[(1E)-[(3-methylbutyl)imino]methyl]-8-(propan-2-yl)-1,4-dihydronaphthalene-1,4-dione 6,7-dihydroxy-8-isopropyl-2-methyl-5-[(1E)-[(3-methylbutyl)imino]methyl]naphthalene-1,4-dione 69734-70-9 CC(C)CC\N=C\C1=C2C(=O)C=C(C)C(=O)C2=C(C(C)C)C(O)=C1O InChI=1S/C20H25NO4/c1-10(2)6-7-21-9-13-16-14(22)8-12(5)18(23)17(16)15(11(3)4)20(25)19(13)24/h8-11,24-25H,6-7H2,1-5H3/b21-9+ UYIGQGYXLRGUGA-ZVBGSRNCSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds Aryl ketones Hydrocarbon derivatives Naphthoquinones Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Quinones Shiff bases Aldimine Aromatic homopolycyclic compound Aryl ketone Benzenoid Cadinane sesquiterpenoid Hydrocarbon derivative Imine Ketone Naphthalene Naphthoquinone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Quinone Sesquiterpenoid Shiff base logp 3.84 ALOGPS logs -3.99 ALOGPS solubility 3.55e-02 g/l ALOGPS melting_point Mp 140-142° logp 3.83 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic 5.73 ChemAxon iupac 6,7-dihydroxy-2-methyl-5-[(1E)-[(3-methylbutyl)imino]methyl]-8-(propan-2-yl)-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 343.4168 ChemAxon mono_mass 343.178358293 ChemAxon smiles CC(C)CC\N=C\C1=C2C(=O)C=C(C)C(=O)C2=C(C(C)C)C(O)=C1O ChemAxon formula C20H25NO4 ChemAxon inchi InChI=1S/C20H25NO4/c1-10(2)6-7-21-9-13-16-14(22)8-12(5)18(23)17(16)15(11(3)4)20(25)19(13)24/h8-11,24-25H,6-7H2,1-5H3/b21-9+ ChemAxon inchikey UYIGQGYXLRGUGA-ZVBGSRNCSA-N ChemAxon polar_surface_area 86.96 ChemAxon refractivity 100.65 ChemAxon polarizability 38.87 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13484 Specdb::CMs 43183 Specdb::CMs 134752 Specdb::CMs 142486 Specdb::MsMs 107910 Specdb::MsMs 107911 Specdb::MsMs 107912 Specdb::MsMs 175005 Specdb::MsMs 175006 Specdb::MsMs 175007 Specdb::MsMs 2814137 Specdb::MsMs 2814138 Specdb::MsMs 2814139 Specdb::MsMs 2892054 Specdb::MsMs 2892055 Specdb::MsMs 2892056 HMDB33266 #<Reference:0x000055ce316f6530>