1.0 2010-04-08 22:05:26 UTC 2019-11-26 02:57:37 UTC FDB002569 4'-Methylisoscutellarein Isolated from aerial parts of Citrus reticulata (mandarin). 4'-Methylisoscutellarein is found in citrus. 4'-Methylisoscutellarein 5,7,8-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 5,7,8-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI Isoscutellarein 4'-methyl ether Takakin C16H12O6 300.2629 300.063388116 5,7,8-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one takakin 51876-19-8 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C=C2O InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)13-7-11(18)14-10(17)6-12(19)15(20)16(14)22-13/h2-7,17,19-20H,1H3 FIYPYRNWAKRRIU-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone. 4'-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids 8-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid 8-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Polyol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 3.15 ALOGPS logs -3.59 ALOGPS solubility 7.66e-02 g/l ALOGPS melting_point Mp 275-277° dec. logp 2.55 ChemAxon pka_strongest_acidic 6.82 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 5,7,8-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 300.2629 ChemAxon mono_mass 300.063388116 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(O)C=C2O ChemAxon formula C16H12O6 ChemAxon inchi InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)13-7-11(18)14-10(17)6-12(19)15(20)16(14)22-13/h2-7,17,19-20H,1H3 ChemAxon inchikey FIYPYRNWAKRRIU-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 79.38 ChemAxon polarizability 29.72 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10087 Specdb::CMs 42066 Specdb::CMs 132375 Specdb::CMs 140109 Specdb::MsMs 65289 Specdb::MsMs 65290 Specdb::MsMs 65291 Specdb::MsMs 122664 Specdb::MsMs 122665 Specdb::MsMs 122666 Specdb::MsMs 2327061 Specdb::MsMs 2327062 Specdb::MsMs 2327063 Specdb::MsMs 2612002 Specdb::MsMs 2612003 Specdb::MsMs 2612004 HMDB30659 #<Reference:0x000055ce31c49000> Citrus Unknown generic