1.0 2010-04-08 22:05:26 UTC 2025-11-18 22:38:25 UTC FDB002575 5,7,4'-Trimethylcatechin Constituent of Chinese cinnamon (Cinnamomum cassia) and commercial rhubarb. 5,7,4'-Trimethylcatechin is found in chinese cinnamon, herbs and spices, and green vegetables. 3,3'-Dihydroxy-4',5,7-trimethoxyflavan 4',5,7-Tri-O-methylcatechin 5,7,4'-Trimethylcatechin Catechin 5,7,4'-trimethyl ether C18H20O6 332.3478 332.125988372 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol 105330-59-4 COC1=CC(OC)=C2CC(O)C(OC2=C1)C1=CC(O)=C(OC)C=C1 InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3 WCBCDLSKTYUDDL-UHFFFAOYSA-N belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechins Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechin Chromane Ether Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Secondary alcohol logp 1.91 ALOGPS logs -3.30 ALOGPS solubility 1.67e-01 g/l ALOGPS melting_point Mp 125° logp 2.23 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol ChemAxon average_mass 332.3478 ChemAxon mono_mass 332.125988372 ChemAxon smiles COC1=CC(OC)=C2CC(O)C(OC2=C1)C1=CC(O)=C(OC)C=C1 ChemAxon formula C18H20O6 ChemAxon inchi InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3 ChemAxon inchikey WCBCDLSKTYUDDL-UHFFFAOYSA-N ChemAxon polar_surface_area 77.38 ChemAxon refractivity 87.45 ChemAxon polarizability 34.49 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10619 Specdb::CMs 42071 Specdb::CMs 136357 Specdb::CMs 144091 Specdb::MsMs 63495 Specdb::MsMs 63496 Specdb::MsMs 63497 Specdb::MsMs 120453 Specdb::MsMs 120454 Specdb::MsMs 120455 Specdb::MsMs 2270533 Specdb::MsMs 2270534 Specdb::MsMs 2270535 Specdb::MsMs 3067856 Specdb::MsMs 3067857 Specdb::MsMs 3067858 HMDB30664 #<Reference:0x000055ce3063f3e0> Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Green vegetables Unknown generic Herbs and Spices Unknown generic