1.0 2019-08-21 07:45:34 UTC 2020-02-24 19:11:07 UTC FDB088002 4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol C28H22O7 470.477 470.136553048 4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol 4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol [H]\C(=C(\[H])C1=CC(O)=CC2=C1C(C(O2)C1=CC(O)=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1 InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+ VJVQHVVOEFJLIO-DAFODLJHSA-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 1-hydroxy-4-unsubstituted benzenoids 1-phenylcoumarans Alkyl aryl ethers Catechols Hydrocarbon derivatives Oxacyclic compounds Resorcinols Stilbenes Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-phenylcoumaran 2-arylbenzofuran flavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Catechol Coumaran Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol Stilbene Styrene logp 4.15 ALOGPS logs -5.07 ALOGPS solubility 4.01e-03 g/l ALOGPS logp 5.66 ChemAxon pka_strongest_acidic 8.47 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol ChemAxon average_mass 470.477 ChemAxon mono_mass 470.136553048 ChemAxon smiles [H]\C(=C(\[H])C1=CC(O)=CC2=C1C(C(O2)C1=CC(O)=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1 ChemAxon formula C28H22O7 ChemAxon inchi InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+ ChemAxon inchikey VJVQHVVOEFJLIO-DAFODLJHSA-N ChemAxon polar_surface_area 130.61 ChemAxon refractivity 132.02 ChemAxon polarizability 48.76 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1256233 Specdb::MsMs 1256234 Specdb::MsMs 1256235 Specdb::MsMs 1371412 Specdb::MsMs 1371413 Specdb::MsMs 1371414 Specdb::MsMs 2385272 Specdb::MsMs 2385273 Specdb::MsMs 2385274 Specdb::MsMs 2577723 Specdb::MsMs 2577724 Specdb::MsMs 2577725 Specdb::CMs 53475 Specdb::CMs 62566 Specdb::CMs 135235 Specdb::CMs 142969 Grape wine Type 2 specific