1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:39 UTC FDB012378 Glyceofuran Isolated from cotyledons and hypocotyls of Glycine max after treatment with Pseudomonas pisi or sodium iodoacetate. Glyceofuran is found in soy bean and pulses. 2-(1-Hydroxy-1-methylethyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol, 9CI C20H18O6 354.3533 354.110338308 6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol 6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol 78873-52-6 CC(C)(O)C1=CC2=CC3=C(OCC4(O)C3OC3=C4C=CC(O)=C3)C=C2O1 InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3 FLURXOFTUKXKQN-UHFFFAOYSA-N belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Pterocarpans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aromatic alcohols Benzofurans Coumarans Furans Heteroaromatic compounds Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Aromatic alcohol Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Furan Heteroaromatic compound Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Tertiary alcohol Pterocarpans logp 2.59 ALOGPS logs -3.13 ALOGPS solubility 2.65e-01 g/l ALOGPS melting_point Mp 181° dec. logp 2.02 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol ChemAxon average_mass 354.3533 ChemAxon mono_mass 354.110338308 ChemAxon smiles CC(C)(O)C1=CC2=CC3=C(OCC4(O)C3OC3=C4C=CC(O)=C3)C=C2O1 ChemAxon formula C20H18O6 ChemAxon inchi InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3 ChemAxon inchikey FLURXOFTUKXKQN-UHFFFAOYSA-N ChemAxon polar_surface_area 92.29 ChemAxon refractivity 92.28 ChemAxon polarizability 37.35 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25269 Specdb::CMs 43714 Specdb::CMs 131829 Specdb::CMs 139563 Specdb::MsMs 11660 Specdb::MsMs 11661 Specdb::MsMs 11662 Specdb::MsMs 18332 Specdb::MsMs 18333 Specdb::MsMs 18334 Specdb::MsMs 2810195 Specdb::MsMs 2810196 Specdb::MsMs 2810197 Specdb::MsMs 2894933 Specdb::MsMs 2894934 Specdb::MsMs 2894935 HMDB34111 #<Reference:0x000055ac4106aae8> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 fungicide 940 A substance used to destroy fungal pests. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it.