1.0 2010-04-08 22:04:39 UTC 2020-02-24 19:10:10 UTC FDB000623 Isoferreirin Constituent of Dolichos biflorus (papadi). Isoferreirin is found in scarlet bean, lima bean, and fruits. 4',5,7-Trihydroxy-2'-methoxyisoflavanone Isoferreirin C16H14O6 302.2788 302.07903818 5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one isoferreirin 76656-75-2 COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(O)=C2C1=O InChI=1S/C16H14O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3 VODZWHSRITUHNI-UHFFFAOYSA-N belongs to the class of organic compounds known as 2'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C2' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 2'-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Isoflavanones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2p-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Isoflavanone Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Vinylogous acid Isoflavonoids logp 2.48 ALOGPS logs -3.31 ALOGPS solubility 1.48e-01 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_acidic 7.89 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 302.2788 ChemAxon mono_mass 302.07903818 ChemAxon smiles COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(O)=C2C1=O ChemAxon formula C16H14O6 ChemAxon inchi InChI=1S/C16H14O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3 ChemAxon inchikey VODZWHSRITUHNI-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 78.14 ChemAxon polarizability 29.63 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12065 Specdb::MsMs 12066 Specdb::MsMs 12067 Specdb::MsMs 18737 Specdb::MsMs 18738 Specdb::MsMs 18739 Specdb::MsMs 3045409 Specdb::MsMs 3045410 Specdb::MsMs 3045411 Specdb::MsMs 3095128 Specdb::MsMs 3095129 Specdb::MsMs 3095130 Specdb::CMs 24495 Specdb::CMs 41400 Specdb::CMs 159811 HMDB29491 #<Reference:0x000055ce31ebee20> Fruits Unknown generic Lima bean Type 1 specific Phaseolus lunatus 3884 Scarlet bean Type 1 specific Phaseolus coccineus 3886