1.0 2010-04-08 22:08:15 UTC 2019-11-26 03:03:15 UTC FDB008805 Muricapentocin Constituent of Annona muricata (soursop). Muricapentocin is found in fruits. C35H64O8 612.8779 612.460119024 5-methyl-3-{2,6,10,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-2,5-dihydrofuran-2-one 5-methyl-3-{2,6,10,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5H-furan-2-one 205304-30-9 CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCC(O)CCCC(O)CC1=CC(C)OC1=O InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(39)33-22-23-34(43-33)32(40)21-20-29(37)17-13-15-28(36)16-14-18-30(38)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3 OGJFDIKXSQSEIB-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 5.15 ALOGPS logs -5.17 ALOGPS solubility 4.14e-03 g/l ALOGPS logp 6.32 ChemAxon pka_strongest_acidic 13.83 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 5-methyl-3-{2,6,10,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-2,5-dihydrofuran-2-one ChemAxon average_mass 612.8779 ChemAxon mono_mass 612.460119024 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCC(O)CCCC(O)CC1=CC(C)OC1=O ChemAxon formula C35H64O8 ChemAxon inchi InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(39)33-22-23-34(43-33)32(40)21-20-29(37)17-13-15-28(36)16-14-18-30(38)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3 ChemAxon inchikey OGJFDIKXSQSEIB-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 171.01 ChemAxon polarizability 75.71 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62466 Specdb::MsMs 62467 Specdb::MsMs 62468 Specdb::MsMs 119202 Specdb::MsMs 119203 Specdb::MsMs 119204 Specdb::MsMs 2273040 Specdb::MsMs 2273041 Specdb::MsMs 2273042 Specdb::MsMs 3068889 Specdb::MsMs 3068890 Specdb::MsMs 3068891 Specdb::CMs 12001 Specdb::CMs 42736 Specdb::CMs 529319 Specdb::CMs 529320 Specdb::CMs 529321 Specdb::CMs 529322 Specdb::CMs 529323 Specdb::CMs 529324 Specdb::CMs 529325 Specdb::CMs 529326 Specdb::CMs 529327 Specdb::CMs 529328 Specdb::CMs 529329 Specdb::CMs 529330 Specdb::CMs 529331 Specdb::CMs 529332 Specdb::CMs 529333 Specdb::CMs 529334 Specdb::CMs 529335 Specdb::CMs 529336 Specdb::CMs 529337 Specdb::CMs 529338 Specdb::CMs 529339 Specdb::CMs 529340 Specdb::CMs 529341 HMDB32089 #<Reference:0x000055ce2edab6f8> Fruits Unknown generic