1.0 2010-04-08 22:08:15 UTC 2025-11-18 23:13:53 UTC FDB008802 Muricoreacin Constituent of the leaves of Annona muricata (soursop). Muricoreacin is found in fruits. C35H64O9 628.8773 628.455033646 5-methyl-3-{2,5,6-trihydroxy-9-[5-(1,4,5-trihydroxyheptadecyl)oxolan-2-yl]nonyl}-2,5-dihydrofuran-2-one 5-methyl-3-{2,5,6-trihydroxy-9-[5-(1,4,5-trihydroxyheptadecyl)oxolan-2-yl]nonyl}-5H-furan-2-one CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCC(O)C(O)CCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-15-29(37)32(40)20-21-33(41)34-22-18-28(44-34)14-13-16-30(38)31(39)19-17-27(36)24-26-23-25(2)43-35(26)42/h23,25,27-34,36-41H,3-22,24H2,1-2H3 VYEJYURNQIJVJU-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 4.24 ALOGPS logs -4.84 ALOGPS solubility 9.14e-03 g/l ALOGPS logp 5.24 ChemAxon pka_strongest_acidic 13.49 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 5-methyl-3-{2,5,6-trihydroxy-9-[5-(1,4,5-trihydroxyheptadecyl)oxolan-2-yl]nonyl}-2,5-dihydrofuran-2-one ChemAxon average_mass 628.8773 ChemAxon mono_mass 628.455033646 ChemAxon smiles CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCC(O)C(O)CCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C35H64O9 ChemAxon inchi InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-15-29(37)32(40)20-21-33(41)34-22-18-28(44-34)14-13-16-30(38)31(39)19-17-27(36)24-26-23-25(2)43-35(26)42/h23,25,27-34,36-41H,3-22,24H2,1-2H3 ChemAxon inchikey VYEJYURNQIJVJU-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 172.37 ChemAxon polarizability 75.74 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15722 Specdb::CMs 581875 Specdb::CMs 581876 Specdb::CMs 581877 Specdb::CMs 581878 Specdb::CMs 581879 Specdb::CMs 581880 Specdb::CMs 581881 Specdb::CMs 581882 Specdb::CMs 581883 Specdb::CMs 581884 Specdb::CMs 581885 Specdb::CMs 581886 Specdb::CMs 581887 Specdb::CMs 581888 Specdb::CMs 581889 Specdb::CMs 581890 Specdb::CMs 581891 Specdb::CMs 581892 Specdb::CMs 581893 Specdb::CMs 581894 Specdb::CMs 581895 Specdb::CMs 581896 Specdb::CMs 581897 Specdb::CMs 581898 Specdb::MsMs 7217 Specdb::MsMs 7218 Specdb::MsMs 7219 Specdb::MsMs 12467 Specdb::MsMs 12468 Specdb::MsMs 12469 Specdb::MsMs 13889 Specdb::MsMs 13890 Specdb::MsMs 13891 Specdb::MsMs 19139 Specdb::MsMs 19140 Specdb::MsMs 19141 Specdb::MsMs 2389462 Specdb::MsMs 2389463 Specdb::MsMs 2389464 Specdb::MsMs 2573665 Specdb::MsMs 2573666 Specdb::MsMs 2573667 HMDB0032086 Fruits Unknown generic