1.0 2010-04-08 22:11:55 UTC 2025-11-19 00:56:04 UTC FDB015552 Sinensetin Found in orange peel and other plant sources 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one 3',4',5,6,7-Pentamethoxyflavone 5,6,7,3',4'-Pentamethoxyflavone Pedalitin permethyl ether Sinensetin C20H20O7 372.3686 372.120902994 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one sinensetin 2306-27-6 COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1 InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 LKMNXYDUQXAUCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 3'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 6-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Flavone Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous ester Flavones and Flavonols Flavones and Flavonols flavones pentamethoxyflavone logp 2.98 ALOGPS logs -4.64 ALOGPS solubility 8.48e-03 g/l ALOGPS melting_point Mp 179° (172-173°) logp 2.18 ChemAxon pka_strongest_acidic 15.28 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one ChemAxon average_mass 372.3686 ChemAxon mono_mass 372.120902994 ChemAxon smiles COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1 ChemAxon formula C20H20O7 ChemAxon inchi InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 ChemAxon inchikey LKMNXYDUQXAUCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 72.45 ChemAxon refractivity 99.29 ChemAxon polarizability 38.96 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19028 Specdb::CMs 132899 Specdb::CMs 140633 Specdb::MsMs 60702 Specdb::MsMs 60703 Specdb::MsMs 60704 Specdb::MsMs 117075 Specdb::MsMs 117076 Specdb::MsMs 117077 Specdb::MsMs 439896 Specdb::MsMs 450136 Specdb::MsMs 450137 Specdb::MsMs 2738881 Specdb::MsMs 2738882 Specdb::MsMs 2738883 Specdb::MsMs 2969947 Specdb::MsMs 2969948 HMDB36633 #<Reference:0x000055ce323f8850> Citrus Unknown generic Grapefruit Type 1 specific Citrus X paradisi 37656 0.0 0.0 0.0 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.0 0.0 0.0 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 Sweet orange Type 1 specific Citrus sinensis 2711 0.21655 0.357999992 0.065 mg/100 g bitter Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.