1.0 2010-04-08 22:14:45 UTC 2025-11-19 02:27:38 UTC FDB020033 5'-Hydroxy-3',4',7,8-tetramethoxyflavan Constituent of the roots of Muntingia calabura (Jamaica cherry). 5'-Hydroxy-3',4',7,8-tetramethoxyflavan is found in fruits. 5'-Hydroxy-3',4',7,8-tetramethoxyflavan C19H22O6 346.3744 346.141638436 5-(7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)-2,3-dimethoxyphenol 5-(7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)-2,3-dimethoxyphenol 133342-93-5 COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(OC)=C(OC)C=C2 InChI=1S/C19H22O6/c1-21-15-8-6-11-5-7-14(25-17(11)19(15)24-4)12-9-13(20)18(23-3)16(10-12)22-2/h6,8-10,14,20H,5,7H2,1-4H3 YZRKAZJVZYMSAE-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 8-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3'-hydroxyflavonoids 4'-O-methylated flavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Dimethoxybenzenes Flavans Hydrocarbon derivatives Methoxyphenols Monohydroxyflavonoids Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Dimethoxybenzene Ether Flavan Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monohydroxyflavonoid O-dimethoxybenzene Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound logp 2.79 ALOGPS logs -4.31 ALOGPS solubility 1.70e-02 g/l ALOGPS logp 3.15 ChemAxon pka_strongest_acidic 9.83 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 5-(7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)-2,3-dimethoxyphenol ChemAxon average_mass 346.3744 ChemAxon mono_mass 346.141638436 ChemAxon smiles COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(OC)=C(OC)C=C2 ChemAxon formula C19H22O6 ChemAxon inchi InChI=1S/C19H22O6/c1-21-15-8-6-11-5-7-14(25-17(11)19(15)24-4)12-9-13(20)18(23-3)16(10-12)22-2/h6,8-10,14,20H,5,7H2,1-4H3 ChemAxon inchikey YZRKAZJVZYMSAE-UHFFFAOYSA-N ChemAxon polar_surface_area 66.38 ChemAxon refractivity 92.55 ChemAxon polarizability 36.99 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9733 Specdb::CMs 46729 Specdb::CMs 175040 Specdb::MsMs 287488 Specdb::MsMs 287489 Specdb::MsMs 287490 Specdb::MsMs 326353 Specdb::MsMs 326354 Specdb::MsMs 326355 Specdb::MsMs 2704229 Specdb::MsMs 2704230 Specdb::MsMs 2704231 Specdb::MsMs 3001963 Specdb::MsMs 3001964 Specdb::MsMs 3001965 HMDB40310 #<Reference:0x000055ce30461e60> Fruits Unknown generic