1.0 2010-04-08 22:12:31 UTC 2025-11-19 01:48:30 UTC FDB016585 Aromadendrin 4'-methyl ether Aromadendrin 4'-methyl ether is a member of the class of compounds known as 4'-o-methylated flavonoids. 4'-o-methylated flavonoids are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone. Aromadendrin 4'-methyl ether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Aromadendrin 4'-methyl ether can be found in almond, european plum, and sour cherry, which makes aromadendrin 4'-methyl ether a potential biomarker for the consumption of these food products. 3,5,7-Trihydroxy-4'-methoxyflavanone 5,7-Dihydroxy-4'-methoxydihydroflavonol Aromadendrin 4'-methyl ether Dihydrokaempferide Flavanone, 3,5,7-trihydroxy-4'-methoxy- C16H14O6 302.2788 302.07903818 3,5,7-trihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one dihydrokaempferide 3570-69-2 COC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,15-18,20H,1H3 CKDYDMSDCNQHEB-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone. 4'-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 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Flavanonols Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Polyols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid 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 Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Polyol Secondary alcohol Vinylogous acid logp 1.81 ALOGPS logs -2.74 ALOGPS solubility 5.54e-01 g/l ALOGPS melting_point Mp 204-205° logp 2.27 ChemAxon pka_strongest_acidic 7.76 ChemAxon pka_strongest_basic -4 ChemAxon iupac 3,5,7-trihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 302.2788 ChemAxon mono_mass 302.07903818 ChemAxon smiles COC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O ChemAxon formula C16H14O6 ChemAxon inchi InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,15-18,20H,1H3 ChemAxon inchikey CKDYDMSDCNQHEB-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 100620 Specdb::MsMs 100621 Specdb::MsMs 100622 Specdb::MsMs 166008 Specdb::MsMs 166009 Specdb::MsMs 166010 Specdb::MsMs 2325558 Specdb::MsMs 2325559 Specdb::MsMs 2325560 Specdb::MsMs 2610587 Specdb::MsMs 2610588 Specdb::MsMs 2610589 Specdb::CMs 52259 Specdb::CMs 73242 Specdb::CMs 167074 Almond Type 1 specific Prunus dulcis 3755 European plum Type 1 specific Prunus domestica 3758 Sour cherry Type 1 specific Prunus cerasus 140311