1.0 2010-04-08 22:09:58 UTC 2019-11-26 03:06:03 UTC FDB012045 3-Hydroxy-2,9-dimethoxypterocarpan Isolated from root crowns of Pisum sativum (pea). 3-Hydroxy-2,9-dimethoxypterocarpan is found in green vegetables and common pea. 2-Methoxymedicarpin 3-Hydroxy-2,9-dimethoxypterocarpan C17H16O5 300.3059 300.099773622 4,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol 4,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol 56752-00-2 COC1=CC2=C(C=C1)C1COC3=CC(O)=C(OC)C=C3C1O2 InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3 YVBGQNQUTOVRER-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 2.87 ALOGPS logs -3.56 ALOGPS solubility 8.19e-02 g/l ALOGPS melting_point Mp 146-148° logp 2.35 ChemAxon pka_strongest_acidic 9.81 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol ChemAxon average_mass 300.3059 ChemAxon mono_mass 300.099773622 ChemAxon smiles COC1=CC2=C(C=C1)C1COC3=CC(O)=C(OC)C=C3C1O2 ChemAxon formula C17H16O5 ChemAxon inchi InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3 ChemAxon inchikey YVBGQNQUTOVRER-UHFFFAOYSA-N ChemAxon polar_surface_area 57.15 ChemAxon refractivity 79.52 ChemAxon polarizability 31.39 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11639 Specdb::CMs 43545 Specdb::CMs 130718 Specdb::CMs 138452 Specdb::MsMs 8357 Specdb::MsMs 8358 Specdb::MsMs 8359 Specdb::MsMs 15029 Specdb::MsMs 15030 Specdb::MsMs 15031 Specdb::MsMs 2795393 Specdb::MsMs 2795394 Specdb::MsMs 2795395 Specdb::MsMs 2886740 Specdb::MsMs 2886741 Specdb::MsMs 2886742 HMDB33861 #<Reference:0x000055ce332bcc38> Common pea Type 1 specific Pisum sativum 3888 Green vegetables Unknown generic