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5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone

PubChem CID: 44258045

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Compound Synonyms CHEMBL3407749, 5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone, CHEBI:182191, BDBM50464572, LMPK12110617, 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6-dimethoxy-4H-chromen-4-one, 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6-dimethoxychromen-4-one
Topological Polar Surface Area 124.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 606.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q9BUF5, n.a., P80457
Iupac Name 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6-dimethoxychromen-4-one
Prediction Hob 1.0
Xlogp 2.8
Molecular Formula C19H18O9
Prediction Swissadme 0.0
Inchi Key WTTGIVJDHDPLCL-UHFFFAOYSA-N
Fcsp3 0.2105263157894736
Logs -3.758
Rotatable Bond Count 5.0
Logd 2.415
Compound Name 5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
Prediction Hob Swissadme 0.0
Exact Mass 390.095
Formal Charge 0.0
Monoisotopic Mass 390.095
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 390.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.7263899428571436
Inchi InChI=1S/C19H18O9/c1-24-12-6-8(5-9(20)17(12)25-2)16-19(27-4)15(23)13-11(28-16)7-10(21)18(26-3)14(13)22/h5-7,20-22H,1-4H3
Smiles COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0