1.0 2010-04-08 22:12:14 UTC 2019-11-26 03:12:46 UTC FDB016112 Coronin Constituent of the roots of Annona muricata (soursop) [DFC] Coronin refers to an acetogenin extracted from soursop. Not to be confused with a family of actin binding proteins interacting with microtubules. [FooDB]. Coronin is found in fruits. C37H64O4 572.9017 572.480460536 3-{10-[3-(2-{3-[(3Z)-hexadec-3-en-1-yl]oxiran-2-yl}ethyl)oxiran-2-yl]decyl}-5-methyl-2,5-dihydrofuran-2-one 3-{10-[3-(2-{3-[(3Z)-hexadec-3-en-1-yl]oxiran-2-yl}ethyl)oxiran-2-yl]decyl}-5-methyl-5H-furan-2-one CCCCCCCCCCCC\C=C/CCC1OC1CCC1OC1CCCCCCCCCCC1=CC(C)OC1=O InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-14-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17- KRQUGYHEWIVMJV-JZJYNLBNSA-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 Epoxides Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2-furanone 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 Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane logp 10.14 ALOGPS logs -7.86 ALOGPS solubility 8.00e-06 g/l ALOGPS melting_point 154.5 oC logp 12.17 ChemAxon pka_strongest_acidic 15.12 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3-{10-[3-(2-{3-[(3Z)-hexadec-3-en-1-yl]oxiran-2-yl}ethyl)oxiran-2-yl]decyl}-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 572.9017 ChemAxon mono_mass 572.480460536 ChemAxon smiles CCCCCCCCCCCC\C=C/CCC1OC1CCC1OC1CCCCCCCCCCC1=CC(C)OC1=O ChemAxon formula C37H64O4 ChemAxon inchi InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-14-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17- ChemAxon inchikey KRQUGYHEWIVMJV-JZJYNLBNSA-N ChemAxon polar_surface_area 48.06 ChemAxon refractivity 172.81 ChemAxon polarizability 75.65 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59616 Specdb::MsMs 59617 Specdb::MsMs 59618 Specdb::MsMs 115791 Specdb::MsMs 115792 Specdb::MsMs 115793 Specdb::MsMs 3605896 Specdb::MsMs 3605897 Specdb::MsMs 3605898 Specdb::MsMs 3605899 Specdb::MsMs 3605900 Specdb::MsMs 3605901 Fruits Unknown generic