1.0 2010-04-08 22:11:31 UTC 2019-11-26 03:10:51 UTC FDB014869 3alpha-Hydroxyoreadone Metabolite of Marasmius oreades (fairy ring mushroom). 3alpha-Hydroxyoreadone is found in mushrooms. 3a-Hydroxyoreadone 3alpha-Hydroxyoreadone C14H20O4 252.3062 252.136159128 1,7-dihydroxy-6,6-dimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-9-one 1,7-dihydroxy-6,6-dimethyl-1H,3H,5H,5aH,7H,8H,9aH,9bH-naphtho[1,2-c]furan-9-one 124869-06-3 CC1(C)C(O)CC(=O)C2C3C(O)OCC3=CCC12 InChI=1S/C14H20O4/c1-14(2)8-4-3-7-6-18-13(17)11(7)12(8)9(15)5-10(14)16/h3,8,10-13,16-17H,4-6H2,1-2H3 QWJVXAZUVABFEO-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 Cyclic alcohols and derivatives Hemiacetals Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Hemiacetal Hydrocarbon derivative Ketone Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 0.41 ALOGPS logs -1.34 ALOGPS solubility 1.16e+01 g/l ALOGPS melting_point Mp 103-108° logp 0.47 ChemAxon pka_strongest_acidic 12.09 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,7-dihydroxy-6,6-dimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-9-one ChemAxon average_mass 252.3062 ChemAxon mono_mass 252.136159128 ChemAxon smiles CC1(C)C(O)CC(=O)C2C3C(O)OCC3=CCC12 ChemAxon formula C14H20O4 ChemAxon inchi InChI=1S/C14H20O4/c1-14(2)8-4-3-7-6-18-13(17)11(7)12(8)9(15)5-10(14)16/h3,8,10-13,16-17H,4-6H2,1-2H3 ChemAxon inchikey QWJVXAZUVABFEO-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 66.3 ChemAxon polarizability 26.62 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20304 Specdb::CMs 44699 Specdb::CMs 158554 Specdb::NmrOneD 133298 Specdb::NmrOneD 133299 Specdb::NmrOneD 133300 Specdb::NmrOneD 133301 Specdb::NmrOneD 133302 Specdb::NmrOneD 133303 Specdb::NmrOneD 133304 Specdb::NmrOneD 133305 Specdb::NmrOneD 133306 Specdb::NmrOneD 133307 Specdb::NmrOneD 133308 Specdb::NmrOneD 133309 Specdb::NmrOneD 133310 Specdb::NmrOneD 133311 Specdb::NmrOneD 133312 Specdb::NmrOneD 133313 Specdb::NmrOneD 133314 Specdb::NmrOneD 133315 Specdb::NmrOneD 133316 Specdb::NmrOneD 133317 Specdb::MsMs 50262 Specdb::MsMs 50263 Specdb::MsMs 50264 Specdb::MsMs 126120 Specdb::MsMs 126121 Specdb::MsMs 126122 Specdb::MsMs 2784073 Specdb::MsMs 2784074 Specdb::MsMs 2784075 Specdb::MsMs 2920981 Specdb::MsMs 2920982 Specdb::MsMs 2920983 HMDB36047 #<Reference:0x000055ce3170ebd0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322