1.0 2010-04-08 22:13:34 UTC 2025-11-19 02:10:07 UTC FDB018199 7-Hydroxy-2',4',5'-trimethoxyisoflavan Isolated from the leaves of Medicago sativa (alfalfa). 7-Hydroxy-2',4',5'-trimethoxyisoflavan is found in alfalfa and pulses. 5'-Methoxysativan 7-Hydroxy-2',4',5'-trimethoxyisoflavan C18H20O5 316.3484 316.13107375 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol 122577-99-5 COC1=CC(OC)=C(OC)C=C1C1COC2=C(C1)C=CC(O)=C2 InChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3 RXXVCVOYIGXBFH-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 4'-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 2'-O-methylated isoflavonoids 3'-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Methoxybenzenes Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2p-methoxyisoflavonoid-skeleton 3p-methoxyisoflavonoid-skeleton 4p-methoxyisoflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound logp 2.94 ALOGPS logs -4.40 ALOGPS solubility 1.25e-02 g/l ALOGPS logp 3.02 ChemAxon pka_strongest_acidic 9.78 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol ChemAxon average_mass 316.3484 ChemAxon mono_mass 316.13107375 ChemAxon smiles COC1=CC(OC)=C(OC)C=C1C1COC2=C(C1)C=CC(O)=C2 ChemAxon formula C18H20O5 ChemAxon inchi InChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3 ChemAxon inchikey RXXVCVOYIGXBFH-UHFFFAOYSA-N ChemAxon polar_surface_area 57.15 ChemAxon refractivity 86.37 ChemAxon polarizability 34.15 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24155 Specdb::CMs 46050 Specdb::CMs 153792 Specdb::MsMs 67467 Specdb::MsMs 67468 Specdb::MsMs 67469 Specdb::MsMs 125298 Specdb::MsMs 125299 Specdb::MsMs 125300 Specdb::MsMs 3054734 Specdb::MsMs 3054735 Specdb::MsMs 3054736 Specdb::MsMs 3115890 Specdb::MsMs 3115891 Specdb::MsMs 3115892 HMDB38780 #<Reference:0x000055ce30116490> Alfalfa Type 1 specific Medicago sativa 3879 Pulses Unknown generic