1.02010-04-08 22:10:51 UTC2019-11-26 03:08:52 UTCFDB01369412alpha-HydroxymunduseroneConstituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxymunduserone is found in jicama and pulses.12a-HydroxymunduseroneC19H18O7358.342358.1052529312a-hydroxy-2,3,9-trimethoxy-6,6a,12,12a-tetrahydro-5,7-dioxatetraphen-12-one12a-hydroxymunduserone66280-24-8COC1=CC2=C(C=C1)C(=O)C1(O)C(COC3=C1C=C(OC)C(OC)=C3)O2InChI=1S/C19H18O7/c1-22-10-4-5-11-13(6-10)26-17-9-25-14-8-16(24-3)15(23-2)7-12(14)19(17,21)18(11)20/h4-8,17,21H,9H2,1-3H3APAWOEBSLLGWDF-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.RotenonesOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsRotenoidsAromatic heteropolycyclic compoundsAlkyl aryl ethersAnisolesAryl alkyl ketonesChromonesHydrocarbon derivativesIsoflavanonesOrganic oxidesOxacyclic compoundsTertiary alcohols1-benzopyranAlcoholAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranChromaneChromoneEtherHydrocarbon derivativeIsoflavanIsoflavanoneKetoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleRotenone or derivativesTertiary alcoholRotenoid flavonoidslogp1.98logs-3.17solubility2.40e-01 g/lmelting_pointMp 300°logp1.65pka_strongest_acidic11.08pka_strongest_basic-4.2iupac12a-hydroxy-2,3,9-trimethoxy-6,6a,12,12a-tetrahydro-5,7-dioxatetraphen-12-oneaverage_mass358.342mono_mass358.10525293smilesCOC1=CC2=C(C=C1)C(=O)C1(O)C(COC3=C1C=C(OC)C(OC)=C3)O2formulaC19H18O7inchiInChI=1S/C19H18O7/c1-22-10-4-5-11-13(6-10)26-17-9-25-14-8-16(24-3)15(23-2)7-12(14)19(17,21)18(11)20/h4-8,17,21H,9H2,1-3H3inchikeyAPAWOEBSLLGWDF-UHFFFAOYSA-Npolar_surface_area83.45refractivity90.53polarizability36.13rotatable_bond_count3acceptor_count7donor_count1physiological_charge0formal_charge0Specdb::CMs17282Specdb::CMs44173Specdb::CMs167010Specdb::MsMs71355Specdb::MsMs71356Specdb::MsMs71357Specdb::MsMs130005Specdb::MsMs130006Specdb::MsMs130007Specdb::MsMs2733000Specdb::MsMs2733001Specdb::MsMs2733002Specdb::MsMs2972541Specdb::MsMs2972542Specdb::MsMs2972543HMDB35070#<Reference:0x0000555675ce4ca0>JicamaType 1specificPachyrhizus erosus109171PulsesUnknowngeneric