1.0 2010-04-08 22:12:09 UTC 2019-11-26 03:12:28 UTC FDB015945 Muricin E Constituent of the seeds of Annona muricata (soursop). Muricin E is found in fruits. C33H60O7 568.8253 568.433904274 3-{2-hydroxy-9-[5-(1,7,8-trihydroxypentadecyl)oxolan-2-yl]nonyl}-5-methyl-2,5-dihydrofuran-2-one 3-{2-hydroxy-9-[5-(1,7,8-trihydroxypentadecyl)oxolan-2-yl]nonyl}-5-methyl-5H-furan-2-one CCCCCCCC(O)C(O)CCCCCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C33H60O7/c1-3-4-5-7-13-18-29(35)30(36)19-14-10-15-20-31(37)32-22-21-28(40-32)17-12-9-6-8-11-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3 ZJOXRHQHOYSIEO-UHFFFAOYSA-N belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Annonaceous acetogenins Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic heteromonocyclic compounds Butenolides Carbonyl compounds Dialkyl ethers Enoate esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Hydrocarbon derivative Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tetrahydrofuran logp 5.65 ALOGPS logs -5.31 ALOGPS solubility 2.81e-03 g/l ALOGPS logp 6.82 ChemAxon pka_strongest_acidic 13.7 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-{2-hydroxy-9-[5-(1,7,8-trihydroxypentadecyl)oxolan-2-yl]nonyl}-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 568.8253 ChemAxon mono_mass 568.433904274 ChemAxon smiles CCCCCCCC(O)C(O)CCCCCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C33H60O7 ChemAxon inchi InChI=1S/C33H60O7/c1-3-4-5-7-13-18-29(35)30(36)19-14-10-15-20-31(37)32-22-21-28(40-32)17-12-9-6-8-11-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3 ChemAxon inchikey ZJOXRHQHOYSIEO-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 160.14 ChemAxon polarizability 70.27 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9596 Specdb::CMs 45151 Specdb::CMs 282205 Specdb::CMs 365777 Specdb::CMs 365778 Specdb::CMs 365779 Specdb::CMs 365780 Specdb::CMs 365781 Specdb::CMs 365782 Specdb::CMs 365783 Specdb::CMs 365784 Specdb::CMs 365785 Specdb::CMs 365786 Specdb::CMs 365787 Specdb::CMs 365788 Specdb::CMs 365789 Specdb::CMs 365790 Specdb::CMs 365791 Specdb::CMs 365792 Specdb::CMs 365793 Specdb::CMs 365794 Specdb::CMs 365795 Specdb::CMs 365796 Specdb::CMs 365797 Specdb::CMs 365798 Specdb::MsMs 103044 Specdb::MsMs 103045 Specdb::MsMs 103046 Specdb::MsMs 168975 Specdb::MsMs 168976 Specdb::MsMs 168977 Specdb::MsMs 2671866 Specdb::MsMs 2671867 Specdb::MsMs 2671868 Specdb::MsMs 3010014 Specdb::MsMs 3010015 Specdb::MsMs 3010016 HMDB36974 #<Reference:0x000055ce3179cf20> Fruits Unknown generic