1.0 2010-04-08 22:11:31 UTC 2019-11-26 03:10:51 UTC FDB014868 Dehydrooreadone Metabolite of Marasmius oreades (fairy ring mushroom). Dehydrooreadone is found in mushrooms. Dehydrooreadone C14H18O3 234.2909 234.125594442 1-hydroxy-6,6-dimethyl-1H,3H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-c]furan-9-one 1-hydroxy-6,6-dimethyl-1H,3H,5H,5aH,9aH,9bH-naphtho[1,2-c]furan-9-one 124869-07-4 CC1(C)C=CC(=O)C2C3C(O)OCC3=CCC12 InChI=1S/C14H18O3/c1-14(2)6-5-10(15)12-9(14)4-3-8-7-17-13(16)11(8)12/h3,5-6,9,11-13,16H,4,7H2,1-2H3 RBUVATMDYDGAJH-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 Cyclohexenones Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Carbonyl group Cyclohexenone Hemiacetal Hydrocarbon derivative Ketone Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 1.12 ALOGPS logs -1.95 ALOGPS solubility 2.64e+00 g/l ALOGPS logp 1.54 ChemAxon pka_strongest_acidic 12.09 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 1-hydroxy-6,6-dimethyl-1H,3H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-c]furan-9-one ChemAxon average_mass 234.2909 ChemAxon mono_mass 234.125594442 ChemAxon smiles CC1(C)C=CC(=O)C2C3C(O)OCC3=CCC12 ChemAxon formula C14H18O3 ChemAxon inchi InChI=1S/C14H18O3/c1-14(2)6-5-10(15)12-9(14)4-3-8-7-17-13(16)11(8)12/h3,5-6,9,11-13,16H,4,7H2,1-2H3 ChemAxon inchikey RBUVATMDYDGAJH-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 66.04 ChemAxon polarizability 25.33 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25748 Specdb::CMs 44698 Specdb::CMs 151043 Specdb::NmrOneD 133278 Specdb::NmrOneD 133279 Specdb::NmrOneD 133280 Specdb::NmrOneD 133281 Specdb::NmrOneD 133282 Specdb::NmrOneD 133283 Specdb::NmrOneD 133284 Specdb::NmrOneD 133285 Specdb::NmrOneD 133286 Specdb::NmrOneD 133287 Specdb::NmrOneD 133288 Specdb::NmrOneD 133289 Specdb::NmrOneD 133290 Specdb::NmrOneD 133291 Specdb::NmrOneD 133292 Specdb::NmrOneD 133293 Specdb::NmrOneD 133294 Specdb::NmrOneD 133295 Specdb::NmrOneD 133296 Specdb::NmrOneD 133297 Specdb::MsMs 79914 Specdb::MsMs 79915 Specdb::MsMs 79916 Specdb::MsMs 140625 Specdb::MsMs 140626 Specdb::MsMs 140627 Specdb::MsMs 2290956 Specdb::MsMs 2290957 Specdb::MsMs 2290958 Specdb::MsMs 2645034 Specdb::MsMs 2645035 Specdb::MsMs 2645036 HMDB36046 #<Reference:0x000055ce3289c5f0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322