1.0 2010-04-08 22:05:33 UTC 2025-11-18 22:41:13 UTC FDB002851 Illudin C2 Production by Coprinus atramentarius (common ink cup). Illudin C2 C15H20O3 248.3175 248.141244506 4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylidene-1',2',3',4',6',7'-hexahydrospiro[cyclopropane-1,5'-indene]-7'-one 4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylidene-1',3'-dihydrospiro[cyclopropane-1,5'-indene]-7'-one 181294-94-0 CC1(CO)CC2=C(C1)C(C)(O)C1(CC1)C(=C)C2=O InChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3 QZJXMQBEUMDWAU-UHFFFAOYSA-N belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively. O-quinomethanes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Cyclohexenones Hydrocarbon derivatives Organic oxides Primary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Cyclohexenone Hydrocarbon derivative O-quinomethane Organic oxide Primary alcohol Tertiary alcohol logp 1.05 ALOGPS logs -2.14 ALOGPS solubility 1.79e+00 g/l ALOGPS logp 1.19 ChemAxon pka_strongest_acidic 13.87 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylidene-1',2',3',4',6',7'-hexahydrospiro[cyclopropane-1,5'-indene]-7'-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC1(CO)CC2=C(C1)C(C)(O)C1(CC1)C(=C)C2=O ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3 ChemAxon inchikey QZJXMQBEUMDWAU-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 69.18 ChemAxon polarizability 27.46 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19246 Specdb::CMs 42237 Specdb::CMs 134924 Specdb::CMs 142658 Specdb::MsMs 51963 Specdb::MsMs 51964 Specdb::MsMs 51965 Specdb::MsMs 174081 Specdb::MsMs 174082 Specdb::MsMs 174083 Specdb::MsMs 2729944 Specdb::MsMs 2729945 Specdb::MsMs 2729946 Specdb::MsMs 2975555 Specdb::MsMs 2975556 Specdb::MsMs 2975557 HMDB0030888