1.0 2010-04-08 22:05:33 UTC 2025-11-18 22:41:15 UTC FDB002854 Annomuricin-D-one Constituent of Annona muricata (soursop). Annomuricin-D-one is found in fruits. C35H64O8 612.8779 612.460119024 3-(2-oxopropyl)-5-{6,7,11-trihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}oxolan-2-one 3-(2-oxopropyl)-5-{6,7,11-trihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}oxolan-2-one CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)C(O)CCCCCC1CC(CC(C)=O)C(=O)O1 InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28-25-27(24-26(2)36)35(41)42-28/h27-34,37-40H,3-25H2,1-2H3 GRPDKIJVLYPUGU-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 Carboxylic acid esters Dialkyl ethers Gamma butyrolactones Hydrocarbon derivatives Ketones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tetrahydrofuran logp 5.54 ALOGPS logs -5.45 ALOGPS solubility 2.17e-03 g/l ALOGPS logp 6.42 ChemAxon pka_strongest_acidic 13.6 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-(2-oxopropyl)-5-{6,7,11-trihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}oxolan-2-one ChemAxon average_mass 612.8779 ChemAxon mono_mass 612.460119024 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)C(O)CCCCCC1CC(CC(C)=O)C(=O)O1 ChemAxon formula C35H64O8 ChemAxon inchi InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28-25-27(24-26(2)36)35(41)42-28/h27-34,37-40H,3-25H2,1-2H3 ChemAxon inchikey GRPDKIJVLYPUGU-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 168.85 ChemAxon polarizability 75.47 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23844 Specdb::CMs 42238 Specdb::CMs 529147 Specdb::CMs 529148 Specdb::CMs 529149 Specdb::CMs 529150 Specdb::CMs 529151 Specdb::CMs 529152 Specdb::CMs 529153 Specdb::CMs 529154 Specdb::CMs 529155 Specdb::CMs 529156 Specdb::CMs 529157 Specdb::CMs 529158 Specdb::CMs 529159 Specdb::CMs 529160 Specdb::CMs 529161 Specdb::CMs 529162 Specdb::CMs 529163 Specdb::CMs 529164 Specdb::CMs 529165 Specdb::CMs 529166 Specdb::CMs 529167 Specdb::CMs 529168 Specdb::CMs 529169 Specdb::MsMs 75816 Specdb::MsMs 75817 Specdb::MsMs 75818 Specdb::MsMs 135525 Specdb::MsMs 135526 Specdb::MsMs 135527 Specdb::MsMs 2278343 Specdb::MsMs 2278344 Specdb::MsMs 2278345 Specdb::MsMs 3087454 Specdb::MsMs 3087455 Specdb::MsMs 3087456 HMDB30890 #<Reference:0x000055ce32514f18> Fruits Unknown generic