1.02010-04-08 22:13:19 UTC2019-11-26 03:15:16 UTCFDB017806(-)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanoneConstituent of Muscari comosum (tassel hyacinth). (-)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone is found in herbs and spices.C16H14O5286.2794286.0841235585,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-oneOC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2FIASLUPJXGTCKM-UHFFFAOYSA-N belongs to the class of organic compounds known as homoisoflavanones. These are homoisoflavonoids with a structure based on the chromanone system. Chromanone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran, which bears a ketone group at the 4-position.HomoisoflavanonesOrganic compoundsPhenylpropanoids and polyketidesHomoisoflavonoidsHomoisoflavansAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAlkyl aryl ethersAryl alkyl ketonesBenzene and substituted derivativesChromonesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAlkyl aryl etherAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranChromaneChromoneEtherHomoisoflavanoneHydrocarbon derivativeKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolVinylogous acidlogp2.61logs-3.43solubility1.07e-01 g/lmelting_pointMp 103-104°logp3.17pka_strongest_acidic7.91pka_strongest_basic-3.9iupac5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-oneaverage_mass286.2794mono_mass286.084123558smilesOC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1formulaC16H14O5inchiInChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2inchikeyFIASLUPJXGTCKM-UHFFFAOYSA-Npolar_surface_area86.99refractivity76.28polarizability28.38rotatable_bond_count2acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::CMs18974Specdb::CMs45829Specdb::CMs172973Specdb::MsMs11018Specdb::MsMs11019Specdb::MsMs11020Specdb::MsMs17690Specdb::MsMs17691Specdb::MsMs17692Specdb::MsMs2444458Specdb::MsMs2444459Specdb::MsMs2444460Specdb::MsMs2521163Specdb::MsMs2521164Specdb::MsMs2521165HMDB38448#<Reference:0x0000555675ceba28>Herbs and SpicesUnknowngeneric