1.0 2010-04-08 22:09:59 UTC 2025-11-18 23:33:48 UTC FDB012101 2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan Constituent of the roots of Muntingia calabura (Jamaica cherry). 2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan is found in fruits. 2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan C19H22O7 362.3738 362.136553058 2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol 2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol 133342-95-7 COC1=C(O)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(OC)=C2O)C=C1 InChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3 XVWADHIDSZCAFC-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-benzopyrans 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-O-methylated flavonoids 4-alkoxyphenols 8-hydroxyflavonoids Alkyl aryl ethers Anisoles Flavans Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4-alkoxyphenol 4p-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Flavan Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound logp 2.26 ALOGPS logs -3.59 ALOGPS solubility 9.31e-02 g/l ALOGPS logp 2.85 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol ChemAxon average_mass 362.3738 ChemAxon mono_mass 362.136553058 ChemAxon smiles COC1=C(O)C2=C(CCC(O2)C2=CC(OC)=C(OC)C(OC)=C2O)C=C1 ChemAxon formula C19H22O7 ChemAxon inchi InChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3 ChemAxon inchikey XVWADHIDSZCAFC-UHFFFAOYSA-N ChemAxon polar_surface_area 86.61 ChemAxon refractivity 94.53 ChemAxon polarizability 37.99 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24863 Specdb::CMs 43572 Specdb::CMs 162976 Specdb::MsMs 55275 Specdb::MsMs 55276 Specdb::MsMs 55277 Specdb::MsMs 110397 Specdb::MsMs 110398 Specdb::MsMs 110399 Specdb::MsMs 2461750 Specdb::MsMs 2461751 Specdb::MsMs 2461752 Specdb::MsMs 2477738 Specdb::MsMs 2477739 Specdb::MsMs 2477740 HMDB33905 #<Reference:0x000055ce32fb8488> Fruits Unknown generic