1.0 2010-04-08 22:12:08 UTC 2019-11-26 03:12:28 UTC FDB015943 Muricin F Constituent of the seeds of Annona muricata (soursop). Muricin F is found in fruits. C35H62O7 594.8626 594.449554338 3-(2-hydroxy-14-{5-[(4Z)-1,7,8-trihydroxydodec-4-en-1-yl]oxolan-2-yl}tetradecyl)-5-methyl-2,5-dihydrofuran-2-one 3-(2-hydroxy-14-{5-[(4Z)-1,7,8-trihydroxydodec-4-en-1-yl]oxolan-2-yl}tetradecyl)-5-methyl-5H-furan-2-one CCCCC(O)C(O)C\C=C/CCC(O)C1CCC(CCCCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C35H62O7/c1-3-4-20-31(37)32(38)21-16-13-17-22-33(39)34-24-23-30(42-34)19-15-12-10-8-6-5-7-9-11-14-18-29(36)26-28-25-27(2)41-35(28)40/h13,16,25,27,29-34,36-39H,3-12,14-15,17-24,26H2,1-2H3/b16-13- DMJPRIIHIZGOBN-SSZFMOIBSA-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 6.49 ALOGPS logs -5.59 ALOGPS solubility 1.53e-03 g/l ALOGPS logp 7.34 ChemAxon pka_strongest_acidic 13.67 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-(2-hydroxy-14-{5-[(4Z)-1,7,8-trihydroxydodec-4-en-1-yl]oxolan-2-yl}tetradecyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 594.8626 ChemAxon mono_mass 594.449554338 ChemAxon smiles CCCCC(O)C(O)C\C=C/CCC(O)C1CCC(CCCCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C35H62O7 ChemAxon inchi InChI=1S/C35H62O7/c1-3-4-20-31(37)32(38)21-16-13-17-22-33(39)34-24-23-30(42-34)19-15-12-10-8-6-5-7-9-11-14-18-29(36)26-28-25-27(2)41-35(28)40/h13,16,25,27,29-34,36-39H,3-12,14-15,17-24,26H2,1-2H3/b16-13- ChemAxon inchikey DMJPRIIHIZGOBN-SSZFMOIBSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 170.46 ChemAxon polarizability 73.75 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19648 Specdb::CMs 45149 Specdb::CMs 283017 Specdb::CMs 444279 Specdb::CMs 444280 Specdb::CMs 444281 Specdb::CMs 444282 Specdb::CMs 444283 Specdb::CMs 444284 Specdb::CMs 444285 Specdb::CMs 444286 Specdb::CMs 444287 Specdb::CMs 444288 Specdb::CMs 444289 Specdb::CMs 444290 Specdb::CMs 444291 Specdb::CMs 444292 Specdb::CMs 444293 Specdb::CMs 444294 Specdb::CMs 444295 Specdb::CMs 444296 Specdb::CMs 444297 Specdb::CMs 444298 Specdb::CMs 444299 Specdb::CMs 444300 Specdb::MsMs 75120 Specdb::MsMs 75121 Specdb::MsMs 75122 Specdb::MsMs 134691 Specdb::MsMs 134692 Specdb::MsMs 134693 Specdb::MsMs 2400159 Specdb::MsMs 2400160 Specdb::MsMs 2400161 Specdb::MsMs 2539037 Specdb::MsMs 2539038 Specdb::MsMs 2539039 HMDB36972 #<Reference:0x000055ce33104080> Fruits Unknown generic