1.0 2010-04-08 22:11:26 UTC 2025-11-19 00:49:20 UTC FDB014744 Kuwanol E Constituent of Morus alba (white mulberry). Kuwanol E is found in fruits. C39H38O9 650.7136 650.251582814 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol 125850-38-6 CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=C(\C=C\C3=C(O)C=C(O)C=C3)C=C2O)C2=C(O)C=C(O)C=C2)=C1O InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+ HGFWVFTZYRJFRI-AATRIKPKSA-N belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. Linear diarylheptanoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Resorcinols Stilbenes Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Hydrocarbon derivative Ketone Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenylketone Resorcinol Stilbene Styrene Vinylogous acid logp 4.86 ALOGPS logs -5.57 ALOGPS solubility 1.76e-03 g/l ALOGPS logp 8.66 ChemAxon pka_strongest_acidic 7.63 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol ChemAxon average_mass 650.7136 ChemAxon mono_mass 650.251582814 ChemAxon smiles CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=C(\C=C\C3=C(O)C=C(O)C=C3)C=C2O)C2=C(O)C=C(O)C=C2)=C1O ChemAxon formula C39H38O9 ChemAxon inchi InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+ ChemAxon inchikey HGFWVFTZYRJFRI-AATRIKPKSA-N ChemAxon polar_surface_area 178.91 ChemAxon refractivity 187.89 ChemAxon polarizability 70.37 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16256 Specdb::CMs 643855 Specdb::CMs 643856 Specdb::CMs 643857 Specdb::CMs 643858 Specdb::CMs 643859 Specdb::CMs 643860 Specdb::CMs 643861 Specdb::CMs 643862 Specdb::CMs 643863 Specdb::CMs 643864 Specdb::CMs 643865 Specdb::CMs 643866 Specdb::CMs 643867 Specdb::CMs 643868 Specdb::CMs 643869 Specdb::CMs 643870 Specdb::CMs 643871 Specdb::CMs 643872 Specdb::CMs 643873 Specdb::CMs 643874 Specdb::CMs 643875 Specdb::CMs 643876 Specdb::CMs 643877 Specdb::CMs 643878 Specdb::MsMs 68574 Specdb::MsMs 68575 Specdb::MsMs 68576 Specdb::MsMs 126636 Specdb::MsMs 126637 Specdb::MsMs 126638 Specdb::MsMs 2669446 Specdb::MsMs 2669447 Specdb::MsMs 2669448 Specdb::MsMs 3009319 Specdb::MsMs 3009320 Specdb::MsMs 3009321 HMDB35941 #<Reference:0x000055ce335d91c8> Fruits Unknown generic