1.0 2010-04-08 22:11:31 UTC 2019-11-26 03:10:51 UTC FDB014867 O-Formyloreadone Metabolite of Marasmius oreades (fairy ring mushroom). O-Formyloreadone is found in mushrooms. O-Formyloreadone C15H20O4 264.3169 264.136159128 6,6-dimethyl-9-oxo-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-1-yl formate 6,6-dimethyl-9-oxo-1H,3H,5H,5aH,7H,8H,9aH,9bH-naphtho[1,2-c]furan-1-yl formate CC1(C)CCC(=O)C2C3C(OC=O)OCC3=CCC12 InChI=1S/C15H20O4/c1-15(2)6-5-11(17)13-10(15)4-3-9-7-18-14(12(9)13)19-8-16/h3,8,10,12-14H,4-7H2,1-2H3 MIBOGOAYMHICPV-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthofurans Organic compounds Organoheterocyclic compounds Naphthofurans Aliphatic heteropolycyclic compounds Acetals Carboxylic acid esters Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Acetal Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 2.03 ALOGPS logs -2.85 ALOGPS solubility 3.72e-01 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_acidic 18.41 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 6,6-dimethyl-9-oxo-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-1-yl formate ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC1(C)CCC(=O)C2C3C(OC=O)OCC3=CCC12 ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-15(2)6-5-11(17)13-10(15)4-3-9-7-18-14(12(9)13)19-8-16/h3,8,10,12-14H,4-7H2,1-2H3 ChemAxon inchikey MIBOGOAYMHICPV-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 69.6 ChemAxon polarizability 27.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17639 Specdb::CMs 155483 Specdb::MsMs 80952 Specdb::MsMs 80953 Specdb::MsMs 80954 Specdb::MsMs 141945 Specdb::MsMs 141946 Specdb::MsMs 141947 Specdb::MsMs 2735813 Specdb::MsMs 2735814 Specdb::MsMs 2735815 Specdb::MsMs 2973588 Specdb::MsMs 2973589 Specdb::MsMs 2973590 HMDB36045 #<Reference:0x000055ce3243e1c0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322