1.0 2010-04-08 22:09:49 UTC 2019-11-26 03:05:23 UTC FDB011762 (R)-Athanagrandione Productionby sweet potato tubers (Ipomoea batatas) infected by Fusarium solani. (R)-Athanagrandione is found in potato. (-)-Athanagrandione C15H22O4 266.3328 266.151809192 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione 69926-93-8 CC(C)CC(=O)CC(C)(O)CCC(=O)C1=COC=C1 InChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3 SUMMQMXACBFGLA-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Beta-hydroxy ketones Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tertiary alcohols Alcohol Aromatic heteromonocyclic compound Aryl alkyl ketone Beta-hydroxy ketone Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle Tertiary alcohol logp 1.99 ALOGPS logs -3.27 ALOGPS solubility 1.43e-01 g/l ALOGPS logp 2.2 ChemAxon pka_strongest_acidic 14.25 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CC(C)CC(=O)CC(C)(O)CCC(=O)C1=COC=C1 ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3 ChemAxon inchikey SUMMQMXACBFGLA-UHFFFAOYSA-N ChemAxon polar_surface_area 67.51 ChemAxon refractivity 72.55 ChemAxon polarizability 29.08 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13673 Specdb::CMs 43420 Specdb::CMs 131246 Specdb::CMs 138980 Specdb::MsMs 87438 Specdb::MsMs 87439 Specdb::MsMs 87440 Specdb::MsMs 149946 Specdb::MsMs 149947 Specdb::MsMs 149948 Specdb::MsMs 2744223 Specdb::MsMs 2744224 Specdb::MsMs 2744225 Specdb::MsMs 2934782 Specdb::MsMs 2934783 Specdb::MsMs 2934784 HMDB33660 #<Reference:0x000055ce318b5880> Potato Type 1 specific Solanum tuberosum 4113