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2'-Hydroxybiochanin A

PubChem CID: 5282075

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Compound Synonyms 2'-Hydroxybiochanin A, Dehydroferreirin, 32884-35-8, CHEBI:31064, 2''-HYDROXYBIOCHANIN A, 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one, 5,7,2'-Trihydroxy-4'-methoxyisoflavone, 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 2a(2)-Hydroxybiochanin A, CHEMBL403228, DTXSID901314873, LMPK12050328, FH69784, 2',5,7-trihydroxy-4'-methoxyisoflavone, Q27114114, 5,7,2'-Trihydroxy-4'-methoxyisoflavone, Dehydroferreirin
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 462.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Xlogp 2.6
Molecular Formula C16H12O6
Prediction Swissadme 0.0
Inchi Key OZEVXMDBOINMTC-UHFFFAOYSA-N
Fcsp3 0.0625
Logs -3.459
Rotatable Bond Count 2.0
Logd 2.696
Compound Name 2'-Hydroxybiochanin A
Prediction Hob Swissadme 0.0
Exact Mass 300.063
Formal Charge 0.0
Monoisotopic Mass 300.063
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 300.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.273331018181818
Inchi InChI=1S/C16H12O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-7,17-19H,1H3
Smiles COC1=CC(=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0