1.0 2010-04-08 22:15:39 UTC 2019-11-26 03:20:17 UTC FDB021369 Mulberrofuran E Constituent of callus tissues of Morus alba (white mulberry). Mulberrofuran E is found in fruits. C39H36O8 632.6983 632.241018128 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol 89803-87-2 CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=C(C=C2O)C2=CC3=C(O2)C=C(O)C=C3)C2=CC=C(O)C=C2)=C1O InChI=1S/C39H36O8/c1-20(2)4-11-27-31(42)13-12-28(38(27)45)39(46)36-29(22-5-8-25(40)9-6-22)14-21(3)15-30(36)37-32(43)16-24(17-33(37)44)34-18-23-7-10-26(41)19-35(23)47-34/h4-10,12-13,15-19,29-30,36,40-45H,11,14H2,1-3H3 RQIKMRKKKIMUNB-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 1-hydroxy-4-unsubstituted benzenoids 2-phenylbenzofurans 4'-prenylated 2-arybenzofurans Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Furans Heteroaromatic compounds Hydrocarbon derivatives Linear diarylheptanoids Organic oxides Oxacyclic compounds Resorcinols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid 2-phenylbenzofuran 4'-prenylated 2-arybenzofuran Alkyl-phenylketone Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzofuran Benzoyl Furan Heteroaromatic compound Hydrocarbon derivative Ketone Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenylbenzofuran Phenylketone Resorcinol Vinylogous acid logp 5.72 ALOGPS logs -4.46 ALOGPS solubility 2.19e-02 g/l ALOGPS logp 8.65 ChemAxon pka_strongest_acidic 7.61 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol ChemAxon average_mass 632.6983 ChemAxon mono_mass 632.241018128 ChemAxon smiles CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=C(C=C2O)C2=CC3=C(O2)C=C(O)C=C3)C2=CC=C(O)C=C2)=C1O ChemAxon formula C39H36O8 ChemAxon inchi InChI=1S/C39H36O8/c1-20(2)4-11-27-31(42)13-12-28(38(27)45)39(46)36-29(22-5-8-25(40)9-6-22)14-21(3)15-30(36)37-32(43)16-24(17-33(37)44)34-18-23-7-10-26(41)19-35(23)47-34/h4-10,12-13,15-19,29-30,36,40-45H,11,14H2,1-3H3 ChemAxon inchikey RQIKMRKKKIMUNB-UHFFFAOYSA-N ChemAxon polar_surface_area 151.59 ChemAxon refractivity 182.33 ChemAxon polarizability 69.35 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 304597 Specdb::MsMs 304598 Specdb::MsMs 304599 Specdb::MsMs 347854 Specdb::MsMs 347855 Specdb::MsMs 347856 Specdb::MsMs 2698227 Specdb::MsMs 2698228 Specdb::MsMs 2698229 Specdb::MsMs 2984546 Specdb::MsMs 2984547 Specdb::MsMs 2984548 Specdb::CMs 17459 Specdb::CMs 588408 Specdb::CMs 588409 Specdb::CMs 588410 Specdb::CMs 588411 Specdb::CMs 588412 Specdb::CMs 588413 Specdb::CMs 588414 Specdb::CMs 588415 Specdb::CMs 588416 Specdb::CMs 588417 Specdb::CMs 588418 Specdb::CMs 588419 Specdb::CMs 588420 Specdb::CMs 588421 Specdb::CMs 588422 Specdb::CMs 588423 Specdb::CMs 588424 Specdb::CMs 588425 Specdb::CMs 588426 Specdb::CMs 588427 Specdb::CMs 588428 Specdb::CMs 588429 Specdb::CMs 588430 Specdb::CMs 588431 HMDB41423 #<Reference:0x00007f08f810e4f8> Fruits Unknown generic