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3',4',5',5,7-Pentamethoxyflavone

PubChem CID: 493376

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Compound Synonyms 53350-26-8, 3',4',5',5,7-Pentamethoxyflavone, 5,7,3',4',5'-Pentamethoxyflavone, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one, 3',?4',?5',?5,?7-?Pentamethoxyflavone, CHEMBL2074901, Tricetin 5,7,3',4',5'-pentamethyl ether, 4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-, Tricetin Pentamethyl Ether, MFCD00017634, SCHEMBL1422009, DTXSID50333239, 3-4-5-5-7-Pentamethoxyflavone, GIKVSFNAEBQLGB-UHFFFAOYSA-N, HY-N7029, 3',4',5',5,7-entamethoxyflavone, BDBM50420207, LMPK12111076, AKOS027380196, FP26804, MS-26005, PD167275, DB-052312, CS-0101599, E88585, Tricetin pentamethyl ether, 3',4',5,5',7-Pentamethoxyflavone, 5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
Topological Polar Surface Area 72.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 534.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P08183
Iupac Name 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Prediction Hob 1.0
Target Id NPT668
Xlogp 3.0
Molecular Formula C20H20O7
Prediction Swissadme 0.0
Inchi Key GIKVSFNAEBQLGB-UHFFFAOYSA-N
Fcsp3 0.25
Logs -4.92
Rotatable Bond Count 6.0
Logd 2.934
Compound Name 3',4',5',5,7-Pentamethoxyflavone
Prediction Hob Swissadme 0.0
Exact Mass 372.121
Formal Charge 0.0
Monoisotopic Mass 372.121
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 372.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.6087311185185196
Inchi InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3
Smiles COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0