1.0 2010-04-08 22:11:25 UTC 2019-11-26 03:10:36 UTC FDB014685 Muricatenol Constituent of the seeds of Annona muricata (soursop). Muricatenol is found in fruits. C37H68O6 608.9322 608.501589908 5-methyl-3-[(12Z)-2,8,16,17-tetrahydroxydotriacont-12-en-1-yl]-2,5-dihydrofuran-2-one 5-methyl-3-[(12Z)-2,8,16,17-tetrahydroxydotriacont-12-en-1-yl]-5H-furan-2-one CCCCCCCCCCCCCCCC(O)C(O)CC\C=C/CCCC(O)CCCCCC(O)CC1=CC(C)OC1=O InChI=1S/C37H68O6/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-27-35(40)36(41)28-23-17-14-15-19-24-33(38)25-20-18-21-26-34(39)30-32-29-31(2)43-37(32)42/h14,17,29,31,33-36,38-41H,3-13,15-16,18-28,30H2,1-2H3/b17-14- KQTROLJZWNACJT-VKAVYKQESA-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 Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydrofuran Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol logp 8.14 ALOGPS logs -6.14 ALOGPS solubility 4.41e-04 g/l ALOGPS melting_point Mp 50-53° logp 9.53 ChemAxon pka_strongest_acidic 13.86 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 5-methyl-3-[(12Z)-2,8,16,17-tetrahydroxydotriacont-12-en-1-yl]-2,5-dihydrofuran-2-one ChemAxon average_mass 608.9322 ChemAxon mono_mass 608.501589908 ChemAxon smiles CCCCCCCCCCCCCCCC(O)C(O)CC\C=C/CCCC(O)CCCCCC(O)CC1=CC(C)OC1=O ChemAxon formula C37H68O6 ChemAxon inchi InChI=1S/C37H68O6/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-27-35(40)36(41)28-23-17-14-15-19-24-33(38)25-20-18-21-26-34(39)30-32-29-31(2)43-37(32)42/h14,17,29,31,33-36,38-41H,3-13,15-16,18-28,30H2,1-2H3/b17-14- ChemAxon inchikey KQTROLJZWNACJT-VKAVYKQESA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 180.14 ChemAxon polarizability 78.59 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20942 Specdb::CMs 44632 Specdb::CMs 495408 Specdb::CMs 495409 Specdb::CMs 495410 Specdb::CMs 495411 Specdb::CMs 495412 Specdb::CMs 495413 Specdb::CMs 495414 Specdb::CMs 495415 Specdb::CMs 495416 Specdb::CMs 495417 Specdb::CMs 495418 Specdb::CMs 495419 Specdb::CMs 495420 Specdb::CMs 495421 Specdb::CMs 495422 Specdb::CMs 495423 Specdb::CMs 495424 Specdb::CMs 495425 Specdb::CMs 495426 Specdb::CMs 495427 Specdb::CMs 495428 Specdb::CMs 495429 Specdb::CMs 495430 Specdb::MsMs 95565 Specdb::MsMs 95566 Specdb::MsMs 95567 Specdb::MsMs 159849 Specdb::MsMs 159850 Specdb::MsMs 159851 Specdb::MsMs 2751796 Specdb::MsMs 2751797 Specdb::MsMs 2751798 Specdb::MsMs 2930649 Specdb::MsMs 2930650 Specdb::MsMs 2930651 HMDB35900 #<Reference:0x000055ce3059f778> Fruits Unknown generic