1.0 2010-04-08 22:08:01 UTC 2020-02-24 19:10:53 UTC FDB008317 Ferreirin Isolated from Cajanus cajan (pigeon pea). Ferreirin is found in pigeon pea and pulses. 2',5,7-Trihydroxy-4'-methoxyisoflavanone Ferreirin C16H14O6 302.2788 302.07903818 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ferreirin 32898-79-6 COC1=CC(O)=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3 CBEPNYOFLRIAGR-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-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 4p-methoxyisoflavonoid 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 Isoflavonoids hydroxyisoflavanone isoflavanones methoxyisoflavanone logp 2.49 ALOGPS logs -3.26 ALOGPS solubility 1.67e-01 g/l ALOGPS melting_point Mp 210-212° logp 2.57 ChemAxon pka_strongest_acidic 7.88 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 302.2788 ChemAxon mono_mass 302.07903818 ChemAxon smiles COC1=CC(O)=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O ChemAxon formula C16H14O6 ChemAxon inchi InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3 ChemAxon inchikey CBEPNYOFLRIAGR-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 78.14 ChemAxon polarizability 29.45 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15947 Specdb::CMs 42564 Specdb::CMs 136546 Specdb::CMs 144280 Specdb::MsMs 105657 Specdb::MsMs 105658 Specdb::MsMs 105659 Specdb::MsMs 172203 Specdb::MsMs 172204 Specdb::MsMs 172205 Specdb::MsMs 2286703 Specdb::MsMs 2286704 Specdb::MsMs 2286705 Specdb::MsMs 3082566 Specdb::MsMs 3082567 Specdb::MsMs 3082568 HMDB31657 #<Reference:0x000055ce31fd21b8> Pigeon pea Type 1 specific Cajanus cajan 3821 Pulses Unknown generic