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5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone

PubChem CID: 100625

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Compound Synonyms 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone, 3'-Methoxycalycopterin, 50439-47-9, MS/433, PYF99PJ2WQ, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4h-chromen-4-one, CHEMBL59220, NSC-333051, 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-, 5,4'-Dioh-3,6,7,8,3'-pmf, NSC 333051, UNII-PYF99PJ2WQ, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one, DTXSID60198477, BDBM50064898, LMPK12113340, NSC333051, DB-263363, 5,4'Dihydroxy-3,6,7,8,3'-Pentamethoxyflavone, 5,4''-dihydroxy-3,6,7,8,3''-pentamethoxyflavone, 5,4''dihydroxy-3,6,7,8,3''-pentamethoxyflavone, 4',5-DIHYDROXY-3,6,7,8,3'-PENTAMETHOXYFLAVONE, 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7,8-tetramethoxy-chromen-4-one
Topological Polar Surface Area 113.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 29.0
Isotope Atom Count 0.0
Molecular Complexity 621.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q9BUF5, Q03114, n.a.
Iupac Name 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C20H20O9
Prediction Swissadme 0.0
Inchi Key HCAGTMLWEWVIJA-UHFFFAOYSA-N
Fcsp3 0.25
Logs -4.212
Rotatable Bond Count 6.0
Logd 2.446
Compound Name 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone
Prediction Hob Swissadme 0.0
Exact Mass 404.111
Formal Charge 0.0
Monoisotopic Mass 404.111
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 404.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.9406760620689667
Inchi InChI=1S/C20H20O9/c1-24-11-8-9(6-7-10(11)21)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3
Smiles COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O
Nring 3.0
Defined Bond Stereocenter Count 0.0