1.0 2010-04-08 22:11:04 UTC 2019-11-26 03:09:28 UTC FDB014072 Cohibin C Constituent of Annona muricata (soursop). Cohibin C is found in fruits. C37H68O4 576.9334 576.511760664 3-[(19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methyl-2,5-dihydrofuran-2-one 3-[(19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methyl-5H-furan-2-one CCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21- HVFRQLAWDLEDRL-FLFQWRMESA-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 1,2-diols Butenolides Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols 1,2-diol 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 Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol logp 10.08 ALOGPS logs -7.11 ALOGPS solubility 4.44e-05 g/l ALOGPS logp 12.31 ChemAxon pka_strongest_acidic 13.88 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-[(19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 576.9334 ChemAxon mono_mass 576.511760664 ChemAxon smiles CCCCCCCCCCCC\C=C/CCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O ChemAxon formula C37H68O4 ChemAxon inchi InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21- ChemAxon inchikey HVFRQLAWDLEDRL-FLFQWRMESA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 176.8 ChemAxon polarizability 77 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16461 Specdb::CMs 44372 Specdb::CMs 282460 Specdb::CMs 377633 Specdb::CMs 377634 Specdb::CMs 377635 Specdb::CMs 377636 Specdb::CMs 377637 Specdb::MsMs 97830 Specdb::MsMs 97831 Specdb::MsMs 97832 Specdb::MsMs 162624 Specdb::MsMs 162625 Specdb::MsMs 162626 Specdb::MsMs 2816551 Specdb::MsMs 2816552 Specdb::MsMs 2816553 Specdb::MsMs 2893004 Specdb::MsMs 2893005 Specdb::MsMs 2893006 HMDB35397 #<Reference:0x000055ce2ca4f498> Fruits Unknown generic