1.0 2010-04-08 22:10:09 UTC 2019-11-26 03:06:42 UTC FDB012402 Dehydroneotenone Isolated from Pachyrrhizus erosus (yam bean). Dehydroneotenone is found in jicama and pulses. Dehydroneotenone Neotenone, dehydro C19H12O6 336.295 336.063388116 6-(6-methoxy-2H-1,3-benzodioxol-5-yl)-5H-furo[3,2-g]chromen-5-one dehydroneotenone 1242-81-5 COC1=CC2=C(OCO2)C=C1C1=COC2=C(C=C3C=COC3=C2)C1=O InChI=1S/C19H12O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-8H,9H2,1H3 HTTTWVGBBAOUEM-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzofurans Furanochromones Furanoisoflavonoids Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Benzopyran Chromone Ether Furan Furanochromone Furanoisoflavonoid skeleton Heteroaromatic compound Hydrocarbon derivative Isoflavone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Isoflavonoids logp 3.08 ALOGPS logs -3.66 ALOGPS solubility 7.44e-02 g/l ALOGPS melting_point Mp 240-241° logp 2.96 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 6-(6-methoxy-2H-1,3-benzodioxol-5-yl)-5H-furo[3,2-g]chromen-5-one ChemAxon average_mass 336.295 ChemAxon mono_mass 336.063388116 ChemAxon smiles COC1=CC2=C(OCO2)C=C1C1=COC2=C(C=C3C=COC3=C2)C1=O ChemAxon formula C19H12O6 ChemAxon inchi InChI=1S/C19H12O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-8H,9H2,1H3 ChemAxon inchikey HTTTWVGBBAOUEM-UHFFFAOYSA-N ChemAxon polar_surface_area 67.13 ChemAxon refractivity 86.81 ChemAxon polarizability 33.8 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15994 Specdb::CMs 154945 Specdb::MsMs 77934 Specdb::MsMs 77935 Specdb::MsMs 77936 Specdb::MsMs 138171 Specdb::MsMs 138172 Specdb::MsMs 138173 Specdb::MsMs 2686683 Specdb::MsMs 2686684 Specdb::MsMs 2686685 Specdb::MsMs 2991416 Specdb::MsMs 2991417 Specdb::MsMs 2991418 HMDB34129 #<Reference:0x000055ce32cc1f68> Jicama Type 1 specific Pachyrhizus erosus 109171 Pulses Unknown generic