1.0 2010-04-08 22:10:10 UTC 2025-11-18 23:36:37 UTC FDB012429 Aromadendrin 7-methyl ether Aromadendrin 7-methyl ether, also known as 7-methoxy-aromadendrin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Aromadendrin 7-methyl ether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Aromadendrin 7-methyl ether can be found in sweet cherry, which makes aromadendrin 7-methyl ether a potential biomarker for the consumption of this food product. 3,4',5-Trihydroxy-7-methoxyflavanone 4',5-Dihydroxy-7-methoxydihydroflavonol Aromadendrin 7-methyl ether Aromadendrin-7-monomethyl Ether C16H14O6 302.2788 302.07903818 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one 37971-69-0 COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC=C(O)C=C1 InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3 LZLGHWHSUZVUFZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanonols Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Flavanonol Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Secondary alcohol Vinylogous acid logp 1.78 ALOGPS logs -2.75 ALOGPS solubility 5.44e-01 g/l ALOGPS melting_point Mp 193° logp 2.27 ChemAxon pka_strongest_acidic 9.29 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 302.2788 ChemAxon mono_mass 302.07903818 ChemAxon smiles COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC=C(O)C=C1 ChemAxon formula C16H14O6 ChemAxon inchi InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3 ChemAxon inchikey LZLGHWHSUZVUFZ-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 77.11 ChemAxon polarizability 30.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43911 Specdb::MsMs 43912 Specdb::MsMs 43913 Specdb::MsMs 119073 Specdb::MsMs 119074 Specdb::MsMs 119075 Specdb::MsMs 3605377 Specdb::MsMs 3605378 Specdb::MsMs 3605379 Sweet cherry Type 1 specific Prunus avium 42229