1.0 2010-04-08 22:13:34 UTC 2019-11-26 03:15:52 UTC FDB018220 7,9-Illudadiene-3,14-diol Metabolite of Agrocybe aegerita. 7,9-Illudadiene-3,14-diol is found in mushrooms. C15H22O2 234.334 234.161979948 6'-(hydroxymethyl)-2',2',4'-trimethyl-2',3',3'a,4'-tetrahydrospiro[cyclopropane-1,5'-indene]-4'-ol 6'-(hydroxymethyl)-2',2',4'-trimethyl-3',3'a-dihydrospiro[cyclopropane-1,5'-indene]-4'-ol 141940-51-4 CC1(C)CC2C(=C1)C=C(CO)C1(CC1)C2(C)O InChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3 YEDYYAKSTVQMBN-UHFFFAOYSA-N belongs to the class of organic compounds known as illudanes and illudins. These are sesquiterpenoids containing either the illudane moiety (based on a 3,6,6,7b-tetramethyl-decahydro-1H-cyclobuta[e]indene ring system), the illudin moiety (2',2',4',6'-tetramethyl-octahydrospiro[cyclopropane-1,5'-indene]), or a derivative thereof. Illudanes and illudins Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Hydrocarbon derivatives Primary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Hydrocarbon derivative Illudine sesquiterpenoid Organic oxygen compound Organooxygen compound Primary alcohol Tertiary alcohol logp 2.06 ALOGPS logs -2.51 ALOGPS solubility 7.29e-01 g/l ALOGPS logp 1.26 ChemAxon pka_strongest_acidic 14.16 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 6'-(hydroxymethyl)-2',2',4'-trimethyl-2',3',3'a,4'-tetrahydrospiro[cyclopropane-1,5'-indene]-4'-ol ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC1(C)CC2C(=C1)C=C(CO)C1(CC1)C2(C)O ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3 ChemAxon inchikey YEDYYAKSTVQMBN-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 69.85 ChemAxon polarizability 27.21 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11288 Specdb::CMs 46061 Specdb::CMs 156217 Specdb::MsMs 66048 Specdb::MsMs 66049 Specdb::MsMs 66050 Specdb::MsMs 123513 Specdb::MsMs 123514 Specdb::MsMs 123515 Specdb::MsMs 2289777 Specdb::MsMs 2289778 Specdb::MsMs 2289779 Specdb::MsMs 2648985 Specdb::MsMs 2648986 Specdb::MsMs 2648987 HMDB38795 #<Reference:0x000055ce31f845d0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322