1.0 2010-04-08 22:09:49 UTC 2019-11-26 03:05:24 UTC FDB011786 Melilotocarpan E From Melilotus alba (white melilot). Melilotocarpan E is found in herbs and spices and pulses. 4,9-Dihydroxy-3,10-dimethoxypterocarpan Melilotocarpan E C17H16O6 316.3053 316.094688244 5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-6,14-diol melilotocarpan E 83013-80-3 COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(O)=C3OC)C1CO2 InChI=1S/C17H16O6/c1-20-12-6-4-9-14-10(7-22-15(9)13(12)19)8-3-5-11(18)17(21-2)16(8)23-14/h3-6,10,14,18-19H,7H2,1-2H3 AHWUIMDBTDTTRI-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 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-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 2.52 ALOGPS logs -3.10 ALOGPS solubility 2.52e-01 g/l ALOGPS melting_point Mp 197-199° logp 2.05 ChemAxon pka_strongest_acidic 9.14 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-6,14-diol ChemAxon average_mass 316.3053 ChemAxon mono_mass 316.094688244 ChemAxon smiles COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(O)=C3OC)C1CO2 ChemAxon formula C17H16O6 ChemAxon inchi InChI=1S/C17H16O6/c1-20-12-6-4-9-14-10(7-22-15(9)13(12)19)8-3-5-11(18)17(21-2)16(8)23-14/h3-6,10,14,18-19H,7H2,1-2H3 ChemAxon inchikey AHWUIMDBTDTTRI-UHFFFAOYSA-N ChemAxon polar_surface_area 77.38 ChemAxon refractivity 81.51 ChemAxon polarizability 31.79 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19486 Specdb::CMs 43439 Specdb::CMs 171277 Specdb::MsMs 12254 Specdb::MsMs 12255 Specdb::MsMs 12256 Specdb::MsMs 18926 Specdb::MsMs 18927 Specdb::MsMs 18928 Specdb::MsMs 2791016 Specdb::MsMs 2791017 Specdb::MsMs 2791018 Specdb::MsMs 2914610 Specdb::MsMs 2914611 Specdb::MsMs 2914612 HMDB33683 #<Reference:0x000055ce3160eed8> Herbs and Spices Unknown generic Pulses Unknown generic