1.0 2010-04-08 22:05:29 UTC 2020-02-24 19:10:35 UTC FDB002688 13alpha-Hydroxydolineone Constituent of Pachyrrhizus erosus (yam bean). 13alpha-Hydroxydolineone is found in jicama and pulses. 12a-Hydroxydolineone 13a-Hydroxydolineone C19H12O7 352.2944 352.058302738 1-hydroxy-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 12a-hydroxydolineone 28617-71-2 OC12C(COC3=CC4=C(OCO4)C=C13)OC1=C(C=C3C=COC3=C1)C2=O InChI=1S/C19H12O7/c20-18-10-3-9-1-2-22-12(9)5-13(10)26-17-7-23-14-6-16-15(24-8-25-16)4-11(14)19(17,18)21/h1-6,17,21H,7-8H2 HLEAVDSSZUIWQI-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 Tertiary alcohols 1-benzopyran Acetal Alcohol 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 Tertiary alcohol Rotenoid flavonoids logp 2.08 ALOGPS logs -2.84 ALOGPS solubility 5.05e-01 g/l ALOGPS melting_point Mp 194-195° (180-181°) logp 1.91 ChemAxon pka_strongest_acidic 11.03 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-hydroxy-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 352.2944 ChemAxon mono_mass 352.058302738 ChemAxon smiles OC12C(COC3=CC4=C(OCO4)C=C13)OC1=C(C=C3C=COC3=C1)C2=O ChemAxon formula C19H12O7 ChemAxon inchi InChI=1S/C19H12O7/c20-18-10-3-9-1-2-22-12(9)5-13(10)26-17-7-23-14-6-16-15(24-8-25-16)4-11(14)19(17,18)21/h1-6,17,21H,7-8H2 ChemAxon inchikey HLEAVDSSZUIWQI-UHFFFAOYSA-N ChemAxon polar_surface_area 87.36 ChemAxon refractivity 85.75 ChemAxon polarizability 34.33 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21886 Specdb::CMs 42135 Specdb::CMs 169868 Specdb::MsMs 103809 Specdb::MsMs 103810 Specdb::MsMs 103811 Specdb::MsMs 169950 Specdb::MsMs 169951 Specdb::MsMs 169952 Specdb::MsMs 2358378 Specdb::MsMs 2358379 Specdb::MsMs 2358380 Specdb::MsMs 2604533 Specdb::MsMs 2604534 Specdb::MsMs 2604535 HMDB30756 #<Reference:0x000055ce304f2a78> Jicama Type 1 specific Pachyrhizus erosus 109171 Pulses Unknown generic