1.0 2010-04-08 22:13:34 UTC 2019-11-26 03:15:52 UTC FDB018219 2,12-Epoxy-7(14)-illudadiene-3,8-diol Metabolite of Agrocybe aegerita. 2,12-Epoxy-7(14)-illudadiene-3,8-diol is found in mushrooms. C15H20O3 248.3175 248.141244506 2',8'-dimethyl-4'-methylidene-10'-oxaspiro[cyclopropane-1,3'-tricyclo[6.2.1.0¹,⁶]undecan]-6'-ene-2',5'-diol 2',8'-dimethyl-4'-methylidene-10'-oxaspiro[cyclopropane-1,3'-tricyclo[6.2.1.0¹,⁶]undecan]-6'-ene-2',5'-diol 141940-50-3 CC12COC3(C1)C(=C2)C(O)C(=C)C1(CC1)C3(C)O InChI=1S/C15H20O3/c1-9-11(16)10-6-12(2)7-15(10,18-8-12)13(3,17)14(9)4-5-14/h6,11,16-17H,1,4-5,7-8H2,2-3H3 WLMXEYUIRPFYIT-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrans. Pyrans are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds. Pyrans Organic compounds Organoheterocyclic compounds Pyrans Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Pyran Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 0.72 ALOGPS logs -1.85 ALOGPS solubility 3.48e+00 g/l ALOGPS logp 0.47 ChemAxon pka_strongest_acidic 13.25 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2',8'-dimethyl-4'-methylidene-10'-oxaspiro[cyclopropane-1,3'-tricyclo[6.2.1.0¹,⁶]undecan]-6'-ene-2',5'-diol ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC12COC3(C1)C(=C2)C(O)C(=C)C1(CC1)C3(C)O ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-9-11(16)10-6-12(2)7-15(10,18-8-12)13(3,17)14(9)4-5-14/h6,11,16-17H,1,4-5,7-8H2,2-3H3 ChemAxon inchikey WLMXEYUIRPFYIT-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 67.92 ChemAxon polarizability 27.08 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52641 Specdb::MsMs 52642 Specdb::MsMs 52643 Specdb::MsMs 119799 Specdb::MsMs 119800 Specdb::MsMs 119801 Specdb::MsMs 2781973 Specdb::MsMs 2781974 Specdb::MsMs 2781975 Specdb::MsMs 2927320 Specdb::MsMs 2927321 Specdb::MsMs 2927322 Specdb::CMs 25124 Specdb::CMs 46060 Specdb::CMs 131510 Specdb::CMs 139244 Specdb::NmrOneD 29342 Specdb::NmrOneD 29343 Specdb::NmrOneD 29344 Specdb::NmrOneD 29345 Specdb::NmrOneD 29346 Specdb::NmrOneD 29347 Specdb::NmrOneD 29348 Specdb::NmrOneD 29349 Specdb::NmrOneD 29350 Specdb::NmrOneD 29351 Specdb::NmrOneD 29352 Specdb::NmrOneD 29353 Specdb::NmrOneD 29354 Specdb::NmrOneD 29355 Specdb::NmrOneD 29356 Specdb::NmrOneD 29357 Specdb::NmrOneD 29358 Specdb::NmrOneD 29359 Specdb::NmrOneD 29360 Specdb::NmrOneD 29361 HMDB38794 #<Reference:0x000055ce304820e8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322