1.0 2010-04-08 22:15:31 UTC 2019-11-26 03:19:59 UTC FDB021165 5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone Constituent of the dried fruit of Citrus reticulata (mandarin). 5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone is found in citrus. 5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone C20H18O9 402.3515 402.095082174 3-hydroxy-5,7,8-trimethoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one 3-hydroxy-5,7,8-trimethoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)chromen-4-one 161697-25-2 COC1=C2OCOC2=CC(=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(OC)C=C2OC InChI=1S/C20H18O9/c1-23-10-7-12(25-3)19(26-4)20-14(10)15(21)16(22)17(29-20)9-5-11(24-2)18-13(6-9)27-8-28-18/h5-7,22H,8H2,1-4H3 ADHJMNNFIWLSBG-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Flavonols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 3'-O-methylated flavonoids 3-hydroxyflavonoids 5-O-methylated flavonoids 7-O-methylated flavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Benzodioxoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 3-hydroxyflavone 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous ester logp 1.59 ALOGPS logs -3.64 ALOGPS solubility 9.16e-02 g/l ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 8.5 ChemAxon pka_strongest_basic -4 ChemAxon iupac 3-hydroxy-5,7,8-trimethoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one ChemAxon average_mass 402.3515 ChemAxon mono_mass 402.095082174 ChemAxon smiles COC1=C2OCOC2=CC(=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(OC)C=C2OC ChemAxon formula C20H18O9 ChemAxon inchi InChI=1S/C20H18O9/c1-23-10-7-12(25-3)19(26-4)20-14(10)15(21)16(22)17(29-20)9-5-11(24-2)18-13(6-9)27-8-28-18/h5-7,22H,8H2,1-4H3 ChemAxon inchikey ADHJMNNFIWLSBG-UHFFFAOYSA-N ChemAxon polar_surface_area 101.91 ChemAxon refractivity 100.56 ChemAxon polarizability 39.91 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21892 Specdb::CMs 47209 Specdb::CMs 137019 Specdb::CMs 144753 Specdb::MsMs 314626 Specdb::MsMs 314627 Specdb::MsMs 314628 Specdb::MsMs 360421 Specdb::MsMs 360422 Specdb::MsMs 360423 Specdb::MsMs 2743384 Specdb::MsMs 2743385 Specdb::MsMs 2743386 Specdb::MsMs 2935727 Specdb::MsMs 2935728 Specdb::MsMs 2935729 HMDB41257 #<Reference:0x000055ce3173cad0> Citrus Unknown generic