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5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one

PubChem CID: 5386959

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Compound Synonyms 58130-91-9, 5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxychromen-4-one, 4',5,7-Trihydroxy 3,3',6,8-tetramethoxyflavone, 5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone, NSC618930, CHEMBL77156, DTXSID30206851, CHEBI:196384, ICA13091, LMPK12113335, AKOS040734706, NSC-618930, NCI60_005666, DB-295092, 4',5,7-Trihydroxy 3,3',6,8-tetramethoxyavone, 4?,5,7-Trihydroxy-3,3?,6,8-tetramethoxyflavon, 5,7,4'-trihydroxy-3,6,8,3' -tetramethoxyflavone, 4 inverted exclamation marka,5,7-Trihydroxy-3,3 inverted exclamation marka,6,8-tetramethoxyflavone
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
Iupac Name 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxychromen-4-one
Prediction Hob 1.0
Xlogp 2.8
Molecular Formula C19H18O9
Prediction Swissadme 0.0
Inchi Key DEQJJTUOVGHXHW-UHFFFAOYSA-N
Fcsp3 0.2105263157894736
Logs -4.053
Rotatable Bond Count 5.0
Logd 2.169
Compound Name 5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one
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/c1-24-10-7-8(5-6-9(10)20)15-18(26-3)13(22)11-12(21)17(25-2)14(23)19(27-4)16(11)28-15/h5-7,20-21,23H,1-4H3
Smiles COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O
Nring 3.0
Defined Bond Stereocenter Count 0.0