1.02010-04-08 22:12:20 UTC2019-11-26 03:12:57 UTCFDB016261MuscominIsolated from Muscari comosum (tassel hyacinth). Muscomin is found in herbs and spices.5,8-Dihydroxy-3-(4-hydroxybenzyl)-6,7-dimethoxy-4-chromanoneMuscominC18H18O7346.3313346.105252935,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydro-1-benzopyran-4-one96910-98-4COC1=C(O)C2=C(C(=O)C(CC3=CC=C(O)C=C3)CO2)C(O)=C1OCInChI=1S/C18H18O7/c1-23-17-14(21)12-13(20)10(7-9-3-5-11(19)6-4-9)8-25-16(12)15(22)18(17)24-2/h3-6,10,19,21-22H,7-8H2,1-2H3PGCPWPPPMWXCMG-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 derivativesChromonesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoidAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranChromaneChromoneEtherHomoisoflavanoneHydrocarbon derivativeKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolVinylogous acidlogp2.51logs-3.61solubility8.50e-02 g/lmelting_pointMp 144.7° (131-132°)logp2.86pka_strongest_acidic9.15pka_strongest_basic-3iupac5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-oneaverage_mass346.3313mono_mass346.10525293smilesCOC1=C(O)C2=C(C(=O)C(CC3=CC=C(O)C=C3)CO2)C(O)=C1OCformulaC18H18O7inchiInChI=1S/C18H18O7/c1-23-17-14(21)12-13(20)10(7-9-3-5-11(19)6-4-9)8-25-16(12)15(22)18(17)24-2/h3-6,10,19,21-22H,7-8H2,1-2H3inchikeyPGCPWPPPMWXCMG-UHFFFAOYSA-Npolar_surface_area105.45refractivity89.2polarizability34.31rotatable_bond_count4acceptor_count7donor_count3physiological_charge0formal_charge0Specdb::CMs26215Specdb::CMs45283Specdb::CMs135551Specdb::CMs143285Specdb::MsMs81804Specdb::MsMs81805Specdb::MsMs81806Specdb::MsMs143010Specdb::MsMs143011Specdb::MsMs143012Specdb::MsMs2344796Specdb::MsMs2344797Specdb::MsMs2344798Specdb::MsMs2591374Specdb::MsMs2591375Specdb::MsMs2591376HMDB37250#<Reference:0x00005556759cada8>Herbs and SpicesUnknowngeneric