1.0 2010-04-08 22:14:45 UTC 2019-11-26 03:18:22 UTC FDB020044 3',8-Dihydroxy-4',5',7-trimethoxyflavone Constituent of the roots of Muntingia calabura (Jamaica cherry). 3',8-Dihydroxy-4',5',7-trimethoxyflavone is found in fruits. 3',8-Dihydroxy-4',5',7-trimethoxyflavone 8,3'-Dihydroxy-7,4',5'-trimethoxyflavone C18H16O7 344.3154 344.089602866 8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one 8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one 133343-00-7 COC1=CC(=CC(O)=C1OC)C1=CC(=O)C2=C(O1)C(O)=C(OC)C=C2 InChI=1S/C18H16O7/c1-22-13-5-4-10-11(19)8-14(25-17(10)16(13)21)9-6-12(20)18(24-3)15(7-9)23-2/h4-8,20-21H,1-3H3 RHXKHTYRDAJUEZ-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'-O-methylated flavonoids 3'-hydroxyflavonoids 4'-O-methylated flavonoids 8-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyran Pyranone Flavones and Flavonols logp 2.92 ALOGPS logs -3.85 ALOGPS solubility 4.87e-02 g/l ALOGPS melting_point Mp 225-227° dec. logp 1.89 ChemAxon pka_strongest_acidic 8.49 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one ChemAxon average_mass 344.3154 ChemAxon mono_mass 344.089602866 ChemAxon smiles COC1=CC(=CC(O)=C1OC)C1=CC(=O)C2=C(O1)C(O)=C(OC)C=C2 ChemAxon formula C18H16O7 ChemAxon inchi InChI=1S/C18H16O7/c1-22-13-5-4-10-11(19)8-14(25-17(10)16(13)21)9-6-12(20)18(24-3)15(7-9)23-2/h4-8,20-21H,1-3H3 ChemAxon inchikey RHXKHTYRDAJUEZ-UHFFFAOYSA-N ChemAxon polar_surface_area 94.45 ChemAxon refractivity 90.32 ChemAxon polarizability 34.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19325 Specdb::CMs 46737 Specdb::CMs 174460 Specdb::MsMs 308950 Specdb::MsMs 308951 Specdb::MsMs 308952 Specdb::MsMs 353257 Specdb::MsMs 353258 Specdb::MsMs 353259 Specdb::MsMs 2448099 Specdb::MsMs 2448100 Specdb::MsMs 2517939 Specdb::MsMs 2517940 Specdb::MsMs 2517941 HMDB40321 #<Reference:0x000055ce30bb2ef8> Fruits Unknown generic