1.02010-04-08 22:12:20 UTC2019-11-26 03:12:58 UTCFDB0162635,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetateFrom Muscari comosum (tassel hyacinth). 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is found in herbs and spices.5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetateC19H18O7358.342358.105252935-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl acetate5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-8-yl acetate99877-75-5COC1=C(OC(C)=O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3NXGGYXKVAVMQLL-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 benzenoidsAlkyl aryl ethersAnisolesAryl alkyl ketonesBenzene and substituted derivativesCarboxylic acid estersChromonesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoidAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterChromaneChromoneEtherHomoisoflavanoneHydrocarbon derivativeKetoneMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolVinylogous acidlogp3.12logs-4.11solubility2.79e-02 g/lmelting_pointMp 155-156°logp2.93pka_strongest_acidic9.38pka_strongest_basic-3.9iupac5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl acetateaverage_mass358.342mono_mass358.10525293smilesCOC1=C(OC(C)=O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2formulaC19H18O7inchiInChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3inchikeyNXGGYXKVAVMQLL-UHFFFAOYSA-Npolar_surface_area102.29refractivity91.89polarizability35.66rotatable_bond_count5acceptor_count6donor_count2physiological_charge0formal_charge0Specdb::CMs22365Specdb::CMs45285Specdb::CMs134307Specdb::CMs142041Specdb::MsMs49806Specdb::MsMs49807Specdb::MsMs49808Specdb::MsMs143277Specdb::MsMs143278Specdb::MsMs143279Specdb::MsMs2403224Specdb::MsMs2403225Specdb::MsMs2403226Specdb::MsMs2535479Specdb::MsMs2535480Specdb::MsMs2535481HMDB37252#<Reference:0x0000555673766cf8>Herbs and SpicesUnknowngeneric