1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:26 UTC FDB020777 beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone Constituent of Leptospermum scoparium (red tea). beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone is found in tea. b,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone C18H18O5 314.3325 314.115423686 (2Z)-3-hydroxy-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-1-phenylprop-2-en-1-one (2Z)-3-hydroxy-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-1-phenylprop-2-en-1-one 109845-46-7 COC1=CC(OC)=C(\C(O)=C\C(=O)C2=CC=CC=C2)C(O)=C1C InChI=1S/C18H18O5/c1-11-15(22-2)10-16(23-3)17(18(11)21)14(20)9-13(19)12-7-5-4-6-8-12/h4-10,20-21H,1-3H3/b14-9- VDTALNHKFXTASW-ZROIWOOFSA-N belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. Retrochalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic homomonocyclic compounds 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Dimethoxybenzenes Enols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxyphenols Organic oxides Ortho cresols Phenoxy compounds Styrenes Toluenes Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Dimethoxybenzene Enol Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-cresol Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Retrochalcone Styrene Toluene Vinylogous acid logp 3.05 ALOGPS logs -4.15 ALOGPS solubility 2.24e-02 g/l ALOGPS melting_point Mp 126-128° (dioxo) logp 3.03 ChemAxon pka_strongest_acidic 7.07 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2Z)-3-hydroxy-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-1-phenylprop-2-en-1-one ChemAxon average_mass 314.3325 ChemAxon mono_mass 314.115423686 ChemAxon smiles COC1=CC(OC)=C(\C(O)=C\C(=O)C2=CC=CC=C2)C(O)=C1C ChemAxon formula C18H18O5 ChemAxon inchi InChI=1S/C18H18O5/c1-11-15(22-2)10-16(23-3)17(18(11)21)14(20)9-13(19)12-7-5-4-6-8-12/h4-10,20-21H,1-3H3/b14-9- ChemAxon inchikey VDTALNHKFXTASW-ZROIWOOFSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 88.72 ChemAxon polarizability 32.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12682 Specdb::CMs 47039 Specdb::CMs 146068 Specdb::MsMs 293860 Specdb::MsMs 293861 Specdb::MsMs 293862 Specdb::MsMs 334444 Specdb::MsMs 334445 Specdb::MsMs 334446 Specdb::MsMs 2667616 Specdb::MsMs 2667617 Specdb::MsMs 2667618 Specdb::MsMs 3014294 Specdb::MsMs 3014295 Specdb::MsMs 3014296 HMDB40936 #<Reference:0x000055ce335ca830> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442