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5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone

PubChem CID: 21721900

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Compound Synonyms 5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone, LMPK12111426, 92519-92-1
Topological Polar Surface Area 115.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 549.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
Prediction Hob 1.0
Xlogp 2.6
Molecular Formula C18H16O8
Prediction Swissadme 0.0
Inchi Key PVSHCMCDBFRZFY-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -3.605
Rotatable Bond Count 4.0
Logd 2.356
Compound Name 5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone
Prediction Hob Swissadme 0.0
Exact Mass 360.085
Formal Charge 0.0
Monoisotopic Mass 360.085
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 360.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.393056215384616
Inchi InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(9-6-8(19)4-5-10(9)20)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3
Smiles COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=C(C=CC(=C3)O)O)OC)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0