1.0 2010-04-08 22:13:19 UTC 2019-11-26 03:15:16 UTC FDB017806 (-)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone Constituent of Muscari comosum (tassel hyacinth). (-)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone is found in herbs and spices. C16H14O5 286.2794 286.084123558 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one OC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1 InChI=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,5,8H2 FIASLUPJXGTCKM-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 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether 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 2.61 ALOGPS logs -3.43 ALOGPS solubility 1.07e-01 g/l ALOGPS melting_point Mp 103-104° logp 3.17 ChemAxon pka_strongest_acidic 7.91 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 286.2794 ChemAxon mono_mass 286.084123558 ChemAxon smiles OC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1 ChemAxon formula C16H14O5 ChemAxon inchi InChI=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,5,8H2 ChemAxon inchikey FIASLUPJXGTCKM-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 76.28 ChemAxon polarizability 28.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18974 Specdb::CMs 45829 Specdb::CMs 172973 Specdb::MsMs 11018 Specdb::MsMs 11019 Specdb::MsMs 11020 Specdb::MsMs 17690 Specdb::MsMs 17691 Specdb::MsMs 17692 Specdb::MsMs 2444458 Specdb::MsMs 2444459 Specdb::MsMs 2444460 Specdb::MsMs 2521163 Specdb::MsMs 2521164 Specdb::MsMs 2521165 HMDB38448 #<Reference:0x000055ce330dd390> Herbs and Spices Unknown generic