1.0 2010-04-08 22:09:35 UTC 2019-11-26 03:04:48 UTC FDB011321 Kuwanon Z Constituent of Morus alba (white mulberry). Kuwanon Z is found in fruits. C34H26O10 594.5642 594.152597052 4-(2,4-dihydroxyphenyl)-8-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-10,18-dihydroxy-14-methyl-3,5,15-trioxahexacyclo[12.7.1.0²,⁴.0²,¹².0⁶,¹¹.0¹⁶,²¹]docosa-6,8,10,16(21),17,19-hexaen-13-one 4-(2,4-dihydroxyphenyl)-8-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-10,18-dihydroxy-14-methyl-3,5,15-trioxahexacyclo[12.7.1.0²,⁴.0²,¹².0⁶,¹¹.0¹⁶,²¹]docosa-6,8,10,16(21),17,19-hexaen-13-one 104931-21-7 CC12CC(C3=C(O1)C=C(O)C=C3)C13OC1(OC1=CC(\C=C/C4=C(O)C=C(O)C=C4)=CC(O)=C1C3C2=O)C1=C(O)C=C(O)C=C1 InChI=1S/C34H26O10/c1-32-15-23(21-8-6-20(37)14-27(21)42-32)33-30(31(32)41)29-26(40)10-16(2-3-17-4-5-18(35)12-24(17)38)11-28(29)43-34(33,44-33)22-9-7-19(36)13-25(22)39/h2-14,23,30,35-40H,15H2,1H3/b3-2- HEAKAXOVOXEHND-IHWYPQMZSA-N belongs to the class of organic compounds known as 3-prenylated flavans. These are flavans that features a C5-isoprenoid substituent at the 3-position. 3-prenylated flavans Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Epoxides Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Resorcinols Stilbenes Styrenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-prenylated flavan 4'-hydroxyflavonoid 5-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Chromane Ether Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Phenol Resorcinol Stilbene Styrene logp 4.55 ALOGPS logs -4.75 ALOGPS solubility 1.06e-02 g/l ALOGPS logp 6.22 ChemAxon pka_strongest_acidic 6.08 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 4-(2,4-dihydroxyphenyl)-8-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-10,18-dihydroxy-14-methyl-3,5,15-trioxahexacyclo[12.7.1.0²,⁴.0²,¹².0⁶,¹¹.0¹⁶,²¹]docosa-6,8,10,16(21),17,19-hexaen-13-one ChemAxon average_mass 594.5642 ChemAxon mono_mass 594.152597052 ChemAxon smiles CC12CC(C3=C(O1)C=C(O)C=C3)C13OC1(OC1=CC(\C=C/C4=C(O)C=C(O)C=C4)=CC(O)=C1C3C2=O)C1=C(O)C=C(O)C=C1 ChemAxon formula C34H26O10 ChemAxon inchi InChI=1S/C34H26O10/c1-32-15-23(21-8-6-20(37)14-27(21)42-32)33-30(31(32)41)29-26(40)10-16(2-3-17-4-5-18(35)12-24(17)38)11-28(29)43-34(33,44-33)22-9-7-19(36)13-25(22)39/h2-14,23,30,35-40H,15H2,1H3/b3-2- ChemAxon inchikey HEAKAXOVOXEHND-IHWYPQMZSA-N ChemAxon polar_surface_area 169.44 ChemAxon refractivity 157.37 ChemAxon polarizability 59.66 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54678 Specdb::MsMs 54679 Specdb::MsMs 54680 Specdb::MsMs 177585 Specdb::MsMs 177586 Specdb::MsMs 177587 Specdb::MsMs 2423069 Specdb::MsMs 2423070 Specdb::MsMs 2423071 Specdb::MsMs 2513273 Specdb::MsMs 2513274 Specdb::MsMs 2513275 Specdb::CMs 13296 Specdb::CMs 43211 Specdb::CMs 283006 Specdb::CMs 443900 Specdb::CMs 443901 Specdb::CMs 443902 Specdb::CMs 443903 Specdb::CMs 443904 Specdb::CMs 443905 Specdb::CMs 443906 Specdb::CMs 443907 Specdb::CMs 443908 Specdb::CMs 443909 Specdb::CMs 443910 Specdb::CMs 443911 Specdb::CMs 443912 Specdb::CMs 443913 Specdb::CMs 443914 Specdb::CMs 443915 Specdb::CMs 443916 Specdb::CMs 443917 Specdb::CMs 443918 Specdb::CMs 443919 Specdb::CMs 443920 Specdb::CMs 443921 HMDB33297 #<Reference:0x00007f093c0c1650> Fruits Unknown generic