1.0 2010-04-08 22:09:31 UTC 2019-11-26 03:04:40 UTC FDB011195 Pondaplin Constituent of the leaves of Annona glabra (pond apple). Pondaplin is found in alcoholic beverages and fruits. C14H14O3 230.2592 230.094294314 (4Z,9Z)-5-methyl-2,7-dioxabicyclo[9.2.2]pentadeca-1(13),4,9,11,14-pentaen-8-one (4Z,9Z)-5-methyl-2,7-dioxabicyclo[9.2.2]pentadeca-1(13),4,9,11,14-pentaen-8-one C\C1=C\COC2=CC=C(C=C2)\C=C/C(=O)OC1 InChI=1S/C14H14O3/c1-11-8-9-16-13-5-2-12(3-6-13)4-7-14(15)17-10-11/h2-8H,9-10H2,1H3/b7-4-,11-8- WPMGVJJSBNXOQS-XGBXBTFKSA-N belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. Alkyl aryl ethers Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aromatic heteropolycyclic compounds Benzenoids Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organoheterocyclic compound Oxacycle logp 2.87 ALOGPS logs -3.67 ALOGPS solubility 4.90e-02 g/l ALOGPS melting_point Mp 194-195° logp 2.96 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (4Z,9Z)-5-methyl-2,7-dioxabicyclo[9.2.2]pentadeca-1(13),4,9,11,14-pentaen-8-one ChemAxon average_mass 230.2592 ChemAxon mono_mass 230.094294314 ChemAxon smiles C\C1=C\COC2=CC=C(C=C2)\C=C/C(=O)OC1 ChemAxon formula C14H14O3 ChemAxon inchi InChI=1S/C14H14O3/c1-11-8-9-16-13-5-2-12(3-6-13)4-7-14(15)17-10-11/h2-8H,9-10H2,1H3/b7-4-,11-8- ChemAxon inchikey WPMGVJJSBNXOQS-XGBXBTFKSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 66.92 ChemAxon polarizability 23.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13487 Specdb::CMs 173182 Specdb::MsMs 86079 Specdb::MsMs 86080 Specdb::MsMs 86081 Specdb::MsMs 148317 Specdb::MsMs 148318 Specdb::MsMs 148319 Specdb::MsMs 2777996 Specdb::MsMs 2777997 Specdb::MsMs 2777998 Specdb::MsMs 2901360 Specdb::MsMs 2901361 Specdb::MsMs 2901362 HMDB33184 #<Reference:0x000055ce322a5e58> Alcoholic beverages Unknown generic Fruits Unknown generic