1.0 2010-04-08 22:04:40 UTC 2019-11-26 02:55:14 UTC FDB000697 Amitenone Pigment from the edible mushroom Amitake (Suillus bovinus). Amitenone is found in mushrooms. 2,2'-Methylenebis[3,6-dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)]-2,5-cyclohexadiene-1,4-dione, 9CI Methylenebis(2,5-dihydroxy-4-all-trans-gerangeranyl-3,6-benzoquinone) Methylenebis[2,5-dihydroxy-4-geranylgeranyl-3,6-benzoquinone] Methylenediboviquinone-4,4 C53H72O8 837.134 836.52271928 2-({2,5-dihydroxy-3,6-dioxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-1,4-dien-1-yl}methyl)-3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione 2-({2,5-dihydroxy-3,6-dioxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-1,4-dien-1-yl}methyl)-3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione 21682-47-3 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C(CC2=C(O)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(O)C2=O)=C(O)C1=O InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+ LJHHBOPEDAEYGJ-JULFZRGUSA-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 7.29 ALOGPS logs -6.55 ALOGPS solubility 2.36e-04 g/l ALOGPS melting_point Mp 187-188° logp 9.49 ChemAxon pka_strongest_acidic -6.4 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-({2,5-dihydroxy-3,6-dioxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-1,4-dien-1-yl}methyl)-3,6-dihydroxy-5-[(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 837.134 ChemAxon mono_mass 836.52271928 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(=O)C(CC2=C(O)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(O)C2=O)=C(O)C1=O ChemAxon formula C53H72O8 ChemAxon inchi InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+ ChemAxon inchikey LJHHBOPEDAEYGJ-JULFZRGUSA-N ChemAxon polar_surface_area 149.2 ChemAxon refractivity 262.17 ChemAxon polarizability 98.03 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57204 Specdb::MsMs 57205 Specdb::MsMs 57206 Specdb::MsMs 112812 Specdb::MsMs 112813 Specdb::MsMs 112814 Specdb::MsMs 2407148 Specdb::MsMs 2407149 Specdb::MsMs 2407150 Specdb::MsMs 2532489 Specdb::MsMs 2532490 Specdb::MsMs 2532491 HMDB29550 #<Reference:0x000055ce3162db30> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322