1.0 2010-04-08 22:10:05 UTC 2019-11-26 03:06:31 UTC FDB012281 Dolineone Isolated from roots of Pachyrrhizus erosus (yam bean). Dolineone is found in jicama and pulses. (+)-dolineone 6a,13a-Dihydro-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 9CI Dolichone C19H12O6 336.295 336.063388116 5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one dolineone 10065-28-8 O=C1C2C(COC3=CC4=C(OCO4)C=C23)OC2=C1C=C1C=COC1=C2 InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2 RAJDDCCSNZAPCH-UHFFFAOYSA-N belongs to the class of organic compounds known as rotenones. These are rotenoids with a structure based on a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton. Rotenones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Rotenoids Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Aryl alkyl ketones Benzenoids Benzodioxoles Benzofurans Furanochromones Furans Heteroaromatic compounds Hydrocarbon derivatives Isoflavanones Organic oxides Oxacyclic compounds 1-benzopyran Acetal Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzodioxole Benzofuran Benzopyran Chromane Chromone Ether Furan Furanochromone Heteroaromatic compound Hydrocarbon derivative Isoflavan Isoflavanone Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Rotenone or derivatives Rotenoid flavonoids logp 3.07 ALOGPS logs -3.32 ALOGPS solubility 1.61e-01 g/l ALOGPS melting_point Mp 233-235° logp 2.5 ChemAxon pka_strongest_acidic 10.43 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one ChemAxon average_mass 336.295 ChemAxon mono_mass 336.063388116 ChemAxon smiles O=C1C2C(COC3=CC4=C(OCO4)C=C23)OC2=C1C=C1C=COC1=C2 ChemAxon formula C19H12O6 ChemAxon inchi InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2 ChemAxon inchikey RAJDDCCSNZAPCH-UHFFFAOYSA-N ChemAxon polar_surface_area 67.13 ChemAxon refractivity 84.51 ChemAxon polarizability 33.57 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13025 Specdb::CMs 132988 Specdb::CMs 140722 Specdb::MsMs 61146 Specdb::MsMs 61147 Specdb::MsMs 61148 Specdb::MsMs 117627 Specdb::MsMs 117628 Specdb::MsMs 117629 Specdb::MsMs 2263342 Specdb::MsMs 2263343 Specdb::MsMs 2263344 Specdb::MsMs 3079212 Specdb::MsMs 3079213 Specdb::MsMs 3079214 HMDB34039 #<Reference:0x000055ce3065d700> Jicama Type 1 specific Pachyrhizus erosus 109171 Pulses Unknown generic