1.0 2010-04-08 22:05:28 UTC 2019-11-26 02:57:47 UTC FDB002671 (E,E)-Boviquinone 3 Pigment from Chroogomphus rutilus (pine spike cap). (E,E)-Boviquinone 3 is found in mushrooms. C21H28O4 344.4446 344.198759384 2,5-dihydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione 2,5-dihydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione 34198-83-9 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O InChI=1S/C21H28O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-20(24)18(22)13-19(23)21(17)25/h7,9,11,13,22,25H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+ ADRVEZVEKSCRHP-XGGJEREUSA-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 4.15 ALOGPS logs -4.59 ALOGPS solubility 8.79e-03 g/l ALOGPS melting_point Mp 98-100° logp 4.92 ChemAxon pka_strongest_acidic 7.79 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,5-dihydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 344.4446 ChemAxon mono_mass 344.198759384 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O ChemAxon formula C21H28O4 ChemAxon inchi InChI=1S/C21H28O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-20(24)18(22)13-19(23)21(17)25/h7,9,11,13,22,25H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+ ChemAxon inchikey ADRVEZVEKSCRHP-XGGJEREUSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 106.13 ChemAxon polarizability 39.16 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21019 Specdb::CMs 42126 Specdb::CMs 147534 Specdb::MsMs 88959 Specdb::MsMs 88960 Specdb::MsMs 88961 Specdb::MsMs 151788 Specdb::MsMs 151789 Specdb::MsMs 151790 Specdb::MsMs 2696850 Specdb::MsMs 2696851 Specdb::MsMs 2696852 Specdb::MsMs 2981381 Specdb::MsMs 2981382 Specdb::MsMs 2981383 HMDB30743 #<Reference:0x000055ce31c934c0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322