1.0 2010-04-08 22:05:49 UTC 2025-11-18 22:52:40 UTC FDB003473 Annotemoyin 2 Constituent of the seeds of Annona atemoya (custard apple). Annotemoyin 2 C35H64O5 564.8797 564.475375158 3-{15-hydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]pentadecyl}-5-methyl-2,5-dihydrofuran-2-one 3-{15-hydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]pentadecyl}-5-methyl-5H-furan-2-one 180892-69-7 CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O InChI=1S/C35H64O5/c1-3-4-5-6-7-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-11-9-8-10-12-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3 YWTXVAUUCWGHSO-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 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 Secondary alcohol Tetrahydrofuran logp 8.96 ALOGPS logs -6.68 ALOGPS solubility 1.19e-04 g/l ALOGPS logp 10.48 ChemAxon pka_strongest_acidic 13.87 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-{15-hydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]pentadecyl}-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 564.8797 ChemAxon mono_mass 564.475375158 ChemAxon smiles CCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O ChemAxon formula C35H64O5 ChemAxon inchi InChI=1S/C35H64O5/c1-3-4-5-6-7-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-11-9-8-10-12-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3 ChemAxon inchikey YWTXVAUUCWGHSO-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 166 ChemAxon polarizability 73.61 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10940 Specdb::MsMs 10941 Specdb::MsMs 10942 Specdb::MsMs 12023 Specdb::MsMs 12024 Specdb::MsMs 12025 Specdb::MsMs 17612 Specdb::MsMs 17613 Specdb::MsMs 17614 Specdb::MsMs 18695 Specdb::MsMs 18696 Specdb::MsMs 18697 Specdb::MsMs 2831551 Specdb::MsMs 2831552 Specdb::MsMs 2831553 Specdb::MsMs 2847476 Specdb::MsMs 2847477 Specdb::MsMs 2847478 Specdb::CMs 22988 Specdb::CMs 42463 Specdb::CMs 282102 Specdb::CMs 358994 Specdb::CMs 358995 Specdb::CMs 358996 Specdb::CMs 358997 Specdb::CMs 358998 HMDB31390 #<Reference:0x000055ce31f036d8>