1.0 2010-04-08 22:14:45 UTC 2019-11-26 03:18:21 UTC FDB020026 5-Hydroxy-4,4',6-trimethoxyaurone Isolated from the flowers of Helianthus annuus (sunflower). 5-Hydroxy-4,4',6-trimethoxyaurone is found in sunflower and fats and oils. 5-Hydroxy-4,4',6-trimethoxyaurone 5-Hydroxy-4,6,4'-trimethoxyaurone C18H16O6 328.316 328.094688244 (2E)-5-hydroxy-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one (2E)-5-hydroxy-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one 137648-02-3 COC1=CC=C(\C=C2\OC3=CC(OC)=C(O)C(OC)=C3C2=O)C=C1 InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)8-14-16(19)15-12(24-14)9-13(22-2)17(20)18(15)23-3/h4-9,20H,1-3H3/b14-8+ SDBGODOJRLLNSU-RIYZIHGNSA-N belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus). Aurone flavonoids Organic compounds Phenylpropanoids and polyketides Aurone flavonoids Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Aryl ketones Benzofurans Coumarans Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Aurone Benzenoid Benzofuran Coumaran Ether Hydrocarbon derivative Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound logp 3.36 ALOGPS logs -4.26 ALOGPS solubility 1.79e-02 g/l ALOGPS logp 2.43 ChemAxon pka_strongest_acidic 9.01 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac (2E)-5-hydroxy-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one ChemAxon average_mass 328.316 ChemAxon mono_mass 328.094688244 ChemAxon smiles COC1=CC=C(\C=C2\OC3=CC(OC)=C(O)C(OC)=C3C2=O)C=C1 ChemAxon formula C18H16O6 ChemAxon inchi InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)8-14-16(19)15-12(24-14)9-13(22-2)17(20)18(15)23-3/h4-9,20H,1-3H3/b14-8+ ChemAxon inchikey SDBGODOJRLLNSU-RIYZIHGNSA-N ChemAxon polar_surface_area 74.22 ChemAxon refractivity 88.42 ChemAxon polarizability 34.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24427 Specdb::CMs 46723 Specdb::CMs 134288 Specdb::CMs 142022 Specdb::MsMs 320053 Specdb::MsMs 320054 Specdb::MsMs 320055 Specdb::MsMs 367357 Specdb::MsMs 367358 Specdb::MsMs 367359 Specdb::MsMs 2825227 Specdb::MsMs 2825228 Specdb::MsMs 2825229 Specdb::MsMs 2854315 Specdb::MsMs 2854316 Specdb::MsMs 2854317 HMDB40303 #<Reference:0x000055ce322578c0> Fats and oils Unknown generic Sunflower Type 1 specific Helianthus annuus 4232