1.0 2010-04-08 22:13:38 UTC 2019-11-26 03:16:00 UTC FDB018318 Erybraedin A Isolated from Phaseolus lunatus (butter bean). Erybraedin A is found in pulses and lima bean. (6aR,11aR)-3,9-Dihydroxy-4,10-diprenylpterocarpan 4-Prenylphaseollidin 6a,11a-Dihydro-4,10-bis(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 9CI Erybraedin A C25H28O4 392.4874 392.198759384 6,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol erybraedin A 119269-76-0 CC(C)=CCC1=C(O)C=CC2=C1OC1C2COC2=C1C=CC(O)=C2CC=C(C)C InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3 HOGHBEDTLGAJAS-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 Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Pterocarpans logp 5.24 ALOGPS logs -5.14 ALOGPS solubility 2.87e-03 g/l ALOGPS melting_point Mp 69-71° logp 5.82 ChemAxon pka_strongest_acidic 8.99 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 6,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol ChemAxon average_mass 392.4874 ChemAxon mono_mass 392.198759384 ChemAxon smiles CC(C)=CCC1=C(O)C=CC2=C1OC1C2COC2=C1C=CC(O)=C2CC=C(C)C ChemAxon formula C25H28O4 ChemAxon inchi InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3 ChemAxon inchikey HOGHBEDTLGAJAS-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 117.06 ChemAxon polarizability 44.68 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10235 Specdb::CMs 46116 Specdb::CMs 130543 Specdb::CMs 138277 Specdb::MsMs 107133 Specdb::MsMs 107134 Specdb::MsMs 107135 Specdb::MsMs 174033 Specdb::MsMs 174034 Specdb::MsMs 174035 Specdb::MsMs 2292933 Specdb::MsMs 2292934 Specdb::MsMs 2292935 Specdb::MsMs 2645325 Specdb::MsMs 2645326 Specdb::MsMs 2645327 HMDB38872 #<Reference:0x00005612712fca18> Lima bean Type 1 specific Phaseolus lunatus 3884 Pulses Unknown generic