1.0 2010-04-08 22:10:01 UTC 2019-11-26 03:06:16 UTC FDB012147 Vignafuran Constituent of Lablab niger (hyacinth bean). Vignafuran is found in hyacinth bean, pulses, and cowpea. 2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran Vignafuran C16H14O4 270.28 270.089208936 3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol vignafuran 57800-41-6 COC1=CC2=C(C=C(O2)C2=C(OC)C=C(O)C=C2)C=C1 InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3 YCDZKMJZSGRQML-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2-phenylbenzofurans Alkyl aryl ethers Anisoles Furans Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid 2-phenylbenzofuran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Ether Furan Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Phenylbenzofuran 1-benzofurans 2-Arylbenzofurans Other Flavonoids Other Flavonoids logp 3.75 ALOGPS logs -3.74 ALOGPS solubility 4.97e-02 g/l ALOGPS logp 3.08 ChemAxon pka_strongest_acidic 9.02 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol ChemAxon average_mass 270.28 ChemAxon mono_mass 270.089208936 ChemAxon smiles COC1=CC2=C(C=C(O2)C2=C(OC)C=C(O)C=C2)C=C1 ChemAxon formula C16H14O4 ChemAxon inchi InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3 ChemAxon inchikey YCDZKMJZSGRQML-UHFFFAOYSA-N ChemAxon polar_surface_area 51.83 ChemAxon refractivity 74.82 ChemAxon polarizability 28.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20165 Specdb::CMs 43597 Specdb::CMs 161031 Specdb::MsMs 7001 Specdb::MsMs 7002 Specdb::MsMs 7003 Specdb::MsMs 13673 Specdb::MsMs 13674 Specdb::MsMs 13675 Specdb::MsMs 3041350 Specdb::MsMs 3041351 Specdb::MsMs 3041352 Specdb::MsMs 3102488 Specdb::MsMs 3102489 Specdb::MsMs 3102490 HMDB33940 #<Reference:0x000055ce31be4218> Cowpea Type 1 specific Vigna unguiculata 3917 Hyacinth bean Type 1 specific Lablab purpureus 35936 Pulses Unknown generic