1.0 2010-04-08 22:05:25 UTC 2020-02-24 19:10:32 UTC FDB002538 beta-Pyrufuran Phytoalexin from Pyrus communis (pear). beta-Pyrufuran is found in pomes and pear. 1,2,4-Trimethoxy-3-dibenzofuranol 1,2,4-Trimethoxy-3-dibenzofuranol, 9CI 1,2,4-Trimethoxydibenzofuran-3-ol 3-Dibenzofuranol, 1,2,4-trimethoxy- b-Pyrufuran beta-Pyrufuran C15H14O5 274.2687 274.084123558 3,4,6-trimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-5-ol β-pyrufuran 88256-04-6 COC1=C2OC3=CC=CC=C3C2=C(OC)C(OC)=C1O InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3 XLCIGBDZQKRLPH-UHFFFAOYSA-N belongs to the class of organic compounds known as dibenzofurans. Dibenzofurans are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. Dibenzofurans Organic compounds Organoheterocyclic compounds Benzofurans Dibenzofurans Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Furans Heteroaromatic compounds Hydrocarbon derivatives Oxacyclic compounds Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Dibenzofuran Ether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle dibenzofurans logp 2.54 ALOGPS logs -3.35 ALOGPS solubility 1.24e-01 g/l ALOGPS logp 2.37 ChemAxon pka_strongest_acidic 7.38 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 3,4,6-trimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-5-ol ChemAxon average_mass 274.2687 ChemAxon mono_mass 274.084123558 ChemAxon smiles COC1=C2OC3=CC=CC=C3C2=C(OC)C(OC)=C1O ChemAxon formula C15H14O5 ChemAxon inchi InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3 ChemAxon inchikey XLCIGBDZQKRLPH-UHFFFAOYSA-N ChemAxon polar_surface_area 61.06 ChemAxon refractivity 72.6 ChemAxon polarizability 28.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16707 Specdb::CMs 42046 Specdb::CMs 132833 Specdb::CMs 140567 Specdb::MsMs 11006 Specdb::MsMs 11007 Specdb::MsMs 11008 Specdb::MsMs 17678 Specdb::MsMs 17679 Specdb::MsMs 17680 Specdb::MsMs 2435302 Specdb::MsMs 2435303 Specdb::MsMs 2435304 Specdb::MsMs 2527278 Specdb::MsMs 2527279 Specdb::MsMs 2527280 HMDB30634 #<Reference:0x000055ce33441b80> Pear Type 1 specific Pyrus communis 23211 Pomes Unknown generic