1.0 2010-04-08 22:11:45 UTC 2019-11-26 03:11:22 UTC FDB015280 2',4'-Dihydroxy-7-methoxy-8-prenylflavan Constituent of Morus alba (white mulberry). 2',4'-Dihydroxy-7-methoxy-8-prenylflavan is found in fruits. 2',4'-Dihydroxy-7-methoxy-8-prenylflavan C21H24O4 340.4129 340.167459256 4-[7-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-2-yl]benzene-1,3-diol 4-[7-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-2-yl]benzene-1,3-diol COC1=C(CC=C(C)C)C2=C(CCC(O2)C2=C(O)C=C(O)C=C2)C=C1 InChI=1S/C21H24O4/c1-13(2)4-8-17-19(24-3)10-5-14-6-11-20(25-21(14)17)16-9-7-15(22)12-18(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3 OAUAVKGFNHNNGR-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated flavans. These are flavans that features a C5-isoprenoid substituent at the 8-position. 8-prenylated flavans Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Hydrocarbon derivatives Monohydroxyflavonoids Oxacyclic compounds Resorcinols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 7-methoxyflavonoid-skeleton 8-prenylated flavan Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monohydroxyflavonoid Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol logp 4.19 ALOGPS logs -4.77 ALOGPS solubility 5.75e-03 g/l ALOGPS logp 5.05 ChemAxon pka_strongest_acidic 8.97 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4-[7-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-2-yl]benzene-1,3-diol ChemAxon average_mass 340.4129 ChemAxon mono_mass 340.167459256 ChemAxon smiles COC1=C(CC=C(C)C)C2=C(CCC(O2)C2=C(O)C=C(O)C=C2)C=C1 ChemAxon formula C21H24O4 ChemAxon inchi InChI=1S/C21H24O4/c1-13(2)4-8-17-19(24-3)10-5-14-6-11-20(25-21(14)17)16-9-7-15(22)12-18(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3 ChemAxon inchikey OAUAVKGFNHNNGR-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 99.38 ChemAxon polarizability 38.11 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16894 Specdb::CMs 44853 Specdb::CMs 135015 Specdb::CMs 142749 Specdb::MsMs 57726 Specdb::MsMs 57727 Specdb::MsMs 57728 Specdb::MsMs 113490 Specdb::MsMs 113491 Specdb::MsMs 113492 Specdb::MsMs 2444803 Specdb::MsMs 2444804 Specdb::MsMs 2444805 Specdb::MsMs 2521202 Specdb::MsMs 2521203 Specdb::MsMs 2521204 HMDB36401 #<Reference:0x000055ce32240be8> Fruits Unknown generic