1.0 2010-04-08 22:11:55 UTC 2019-11-26 03:11:50 UTC FDB015557 Mulberrofuran Q Constituent of Morus alba (white mulberry). Mulberrofuran Q is found in fruits. C34H24O10 592.5484 592.136946988 4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxy-1-benzofuran-2-yl)-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)-10,18-dihydroxy-8-(6-hydroxy-1-benzofuran-2-yl)-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 101383-35-1 CC12CC(C3=C(O1)C=C(O)C=C3)C13OC1(OC1=CC(=CC(O)=C1C3C2=O)C1=CC2=C(O1)C=C(O)C=C2)C1=C(O)C=C(O)C=C1 InChI=1S/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3 MSVXRBNAPJJEDX-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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-prenylated flavans 4'-hydroxyflavonoids 4'-prenylated 2-arybenzofurans 5-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Benzofurans Epoxides Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Resorcinols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid 3-prenylated flavan 4'-hydroxyflavonoid 4'-prenylated 2-arybenzofuran 5-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Carbonyl group Chromane Ether Flavan Furan Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Phenol Resorcinol logp 4.60 ALOGPS logs -3.82 ALOGPS solubility 9.02e-02 g/l ALOGPS logp 5.91 ChemAxon pka_strongest_acidic 5.74 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxy-1-benzofuran-2-yl)-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 592.5484 ChemAxon mono_mass 592.136946988 ChemAxon smiles CC12CC(C3=C(O1)C=C(O)C=C3)C13OC1(OC1=CC(=CC(O)=C1C3C2=O)C1=CC2=C(O1)C=C(O)C=C2)C1=C(O)C=C(O)C=C1 ChemAxon formula C34H24O10 ChemAxon inchi InChI=1S/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3 ChemAxon inchikey MSVXRBNAPJJEDX-UHFFFAOYSA-N ChemAxon polar_surface_area 162.35 ChemAxon refractivity 153.79 ChemAxon polarizability 60.95 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12536 Specdb::MsMs 12537 Specdb::MsMs 12538 Specdb::MsMs 19208 Specdb::MsMs 19209 Specdb::MsMs 19210 Specdb::MsMs 2307201 Specdb::MsMs 2307202 Specdb::MsMs 2307203 Specdb::MsMs 2654483 Specdb::MsMs 2654484 Specdb::MsMs 2654485 Specdb::CMs 14982 Specdb::CMs 44945 Specdb::CMs 282911 Specdb::CMs 424004 Specdb::CMs 424005 Specdb::CMs 424006 Specdb::CMs 424007 Specdb::CMs 424008 Specdb::CMs 424009 Specdb::CMs 424010 Specdb::CMs 424011 Specdb::CMs 424012 Specdb::CMs 424013 Specdb::CMs 424014 Specdb::CMs 424015 Specdb::CMs 424016 Specdb::CMs 424017 Specdb::CMs 424018 Specdb::CMs 424019 Specdb::CMs 424020 Specdb::CMs 424021 Specdb::CMs 424022 Specdb::CMs 424023 Specdb::CMs 424024 Specdb::CMs 424025 HMDB36637 #<Reference:0x000055ce31ec93c0> Fruits Unknown generic