1.0 2010-04-08 22:12:20 UTC 2019-11-26 03:12:57 UTC FDB016261 Muscomin Isolated from Muscari comosum (tassel hyacinth). Muscomin is found in herbs and spices. 5,8-Dihydroxy-3-(4-hydroxybenzyl)-6,7-dimethoxy-4-chromanone Muscomin C18H18O7 346.3313 346.10525293 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydro-1-benzopyran-4-one 96910-98-4 COC1=C(O)C2=C(C(=O)C(CC3=CC=C(O)C=C3)CO2)C(O)=C1OC InChI=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,7-8H2,1-2H3 PGCPWPPPMWXCMG-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. Homoisoflavanones Organic compounds Phenylpropanoids and polyketides Homoisoflavonoids Homoisoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Chromones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Homoisoflavanone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Vinylogous acid logp 2.51 ALOGPS logs -3.61 ALOGPS solubility 8.50e-02 g/l ALOGPS melting_point Mp 144.7° (131-132°) logp 2.86 ChemAxon pka_strongest_acidic 9.15 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 346.3313 ChemAxon mono_mass 346.10525293 ChemAxon smiles COC1=C(O)C2=C(C(=O)C(CC3=CC=C(O)C=C3)CO2)C(O)=C1OC ChemAxon formula C18H18O7 ChemAxon inchi InChI=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,7-8H2,1-2H3 ChemAxon inchikey PGCPWPPPMWXCMG-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 89.2 ChemAxon polarizability 34.31 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26215 Specdb::CMs 45283 Specdb::CMs 135551 Specdb::CMs 143285 Specdb::MsMs 81804 Specdb::MsMs 81805 Specdb::MsMs 81806 Specdb::MsMs 143010 Specdb::MsMs 143011 Specdb::MsMs 143012 Specdb::MsMs 2344796 Specdb::MsMs 2344797 Specdb::MsMs 2344798 Specdb::MsMs 2591374 Specdb::MsMs 2591375 Specdb::MsMs 2591376 HMDB37250 #<Reference:0x000055ce32c2c008> Herbs and Spices Unknown generic