1.0 2010-04-08 22:05:27 UTC 2025-11-18 22:38:57 UTC FDB002640 (±)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan Isolated from Astragalus gummifer (tragacanth). (±)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan is found in common bean, yellow wax bean, and green bean. (+-)-Mucronulatol 7,3'-Dihydroxy-2',4'-dimethoxyisoflavan C17H18O5 302.3218 302.115423686 3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol 3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol 57128-11-7 COC1=C(O)C(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1 InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3 NUNFZNIXYWTZMW-UHFFFAOYSA-N belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone. 3'-hydroxy,4'-methoxyisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Dimethoxybenzenes Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2p-methoxyisoflavonoid-skeleton 3'-hydroxy,4'-methoxyisoflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Dimethoxybenzene Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound logp 2.76 ALOGPS logs -3.72 ALOGPS solubility 5.76e-02 g/l ALOGPS melting_point Mp 227-229° logp 2.88 ChemAxon pka_strongest_acidic 9.25 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol ChemAxon average_mass 302.3218 ChemAxon mono_mass 302.115423686 ChemAxon smiles COC1=C(O)C(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1 ChemAxon formula C17H18O5 ChemAxon inchi InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3 ChemAxon inchikey NUNFZNIXYWTZMW-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 81.89 ChemAxon polarizability 31.74 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14102 Specdb::CMs 42114 Specdb::CMs 131670 Specdb::CMs 139404 Specdb::MsMs 10541 Specdb::MsMs 10542 Specdb::MsMs 10543 Specdb::MsMs 17213 Specdb::MsMs 17214 Specdb::MsMs 17215 Specdb::MsMs 2440744 Specdb::MsMs 2440745 Specdb::MsMs 2440746 Specdb::MsMs 2525787 Specdb::MsMs 2525788 Specdb::MsMs 2525789 HMDB30717 #<Reference:0x000055ce3288a7b0> Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885