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8-Hydroxy-4',5,7-trimethoxyflavone

PubChem CID: 5318368

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Compound Synonyms 8-Hydroxy-4',5,7-trimethoxyflavone, JEU93A5YP5, UNII-JEU93A5YP5, 21919-71-1, 8-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 8-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one, CHEBI:174405, DTXSID601167770, 8-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Topological Polar Surface Area 74.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 24.0
Description Constituent of Citrus species [CCD]
Isotope Atom Count 0.0
Molecular Complexity 482.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 8-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Class Flavonoids
Xlogp 2.7
Superclass Phenylpropanoids and polyketides
Subclass O-methylated flavonoids
Molecular Formula C18H16O6
Prediction Swissadme 0.0
Inchi Key AGCLYKVLFZSTJI-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -4.604
Rotatable Bond Count 4.0
State Solid
Logd 2.757
Synonyms 4',5,7-Trimethylisoscutellarein, 8-Hydroxy-4',5,7-trimethoxyflavone
Compound Name 8-Hydroxy-4',5,7-trimethoxyflavone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 328.095
Formal Charge 0.0
Monoisotopic Mass 328.095
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 328.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -3.3334173333333332
Inchi InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(22-2)9-15(23-3)17(20)18(16)24-13/h4-9,20H,1-3H3
Smiles COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)O
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent 7-O-methylated flavonoids