1.0 2010-04-08 22:04:56 UTC 2019-11-26 02:56:22 UTC FDB001364 Boviquinone 4 Metabolite of Boletus (Suillus) bovinus. Boviquinone 4 is found in mushrooms. 3-Geranylgeranyl-2,5-dihydroxy-1,4-benzoquinone Bovinone C26H36O4 412.5616 412.26135964 2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione 2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione 28129-52-4 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O InChI=1S/C26H36O4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22-25(29)23(27)17-24(28)26(22)30/h9,11,13,15,17,27,30H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+,21-15+ FXIRKSMTDSBFCE-YKBIRWAZSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homomonocyclic compounds Enols Hydrocarbon derivatives Organic oxides P-benzoquinones Prenylquinones Vinylogous acids Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Diterpenoid Enol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone Prenylbenzoquinone Quinone Vinylogous acid logp 6.01 ALOGPS logs -5.33 ALOGPS solubility 1.93e-03 g/l ALOGPS melting_point Mp 84-85° logp 6.58 ChemAxon pka_strongest_acidic 7.79 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 412.5616 ChemAxon mono_mass 412.26135964 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O ChemAxon formula C26H36O4 ChemAxon inchi InChI=1S/C26H36O4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22-25(29)23(27)17-24(28)26(22)30/h9,11,13,15,17,27,30H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+,21-15+ ChemAxon inchikey FXIRKSMTDSBFCE-YKBIRWAZSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 129.93 ChemAxon polarizability 48.97 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14893 Specdb::CMs 41723 Specdb::CMs 153428 Specdb::MsMs 66921 Specdb::MsMs 66922 Specdb::MsMs 66923 Specdb::MsMs 124608 Specdb::MsMs 124609 Specdb::MsMs 124610 Specdb::MsMs 2831452 Specdb::MsMs 2831453 Specdb::MsMs 2831454 Specdb::MsMs 2847674 Specdb::MsMs 2847675 Specdb::MsMs 2847676 HMDB30057 #<Reference:0x000055ce31e07c98> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322