1.0 2010-04-08 22:09:34 UTC 2019-11-26 03:04:48 UTC FDB011315 3,8-Dihydroxy-9-methoxypterocarpan Constituent of Pterocarpus soyauxii. 3,8-Dihydroxy-9-methoxypterocarpan is found in green vegetables. (6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan 3,8-Dihydroxy-9-methoxypterocarpan C16H14O5 286.2794 286.084123558 14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,13-diol 14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,13-diol 108335-33-7 COC1=CC2=C(C=C1O)C1COC3=C(C=CC(O)=C3)C1O2 InChI=1S/C16H14O5/c1-19-15-6-14-10(5-12(15)18)11-7-20-13-4-8(17)2-3-9(13)16(11)21-14/h2-6,11,16-18H,7H2,1H3 FPPWIEZFMZZUPL-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 Anisoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Pterocarpans logp 2.62 ALOGPS logs -3.07 ALOGPS solubility 2.45e-01 g/l ALOGPS logp 2.21 ChemAxon pka_strongest_acidic 9.37 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,13-diol ChemAxon average_mass 286.2794 ChemAxon mono_mass 286.084123558 ChemAxon smiles COC1=CC2=C(C=C1O)C1COC3=C(C=CC(O)=C3)C1O2 ChemAxon formula C16H14O5 ChemAxon inchi InChI=1S/C16H14O5/c1-19-15-6-14-10(5-12(15)18)11-7-20-13-4-8(17)2-3-9(13)16(11)21-14/h2-6,11,16-18H,7H2,1H3 ChemAxon inchikey FPPWIEZFMZZUPL-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 75.04 ChemAxon polarizability 29.43 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25611 Specdb::CMs 43206 Specdb::CMs 131016 Specdb::CMs 138750 Specdb::MsMs 11861 Specdb::MsMs 11862 Specdb::MsMs 11863 Specdb::MsMs 18533 Specdb::MsMs 18534 Specdb::MsMs 18535 Specdb::MsMs 2692559 Specdb::MsMs 2692560 Specdb::MsMs 2692561 Specdb::MsMs 2985656 Specdb::MsMs 2985657 Specdb::MsMs 2985658 HMDB33291 #<Reference:0x000055ce335f7358> Green vegetables Unknown generic