6-hydroxyflavone

Synonyms: "6-hydroxyflavone", "6-monohydroxyflavone", "6-hydroxy-2-phenyl-4-benzopyrone", "6-hydroxy-2-phenyl-4H-chromen-4-one", "6-hydroxy-2-phenylchromen-4-one", "6-hydroxy-2-phenyl-chromen-4-one", "6-hydroxy-flavone", "6-hydroxy flavone", "6-hydroxyflavone".

Source: 6-Hydroxyflavone is a naturally occurring flavone found in the leaves of Barleria prionitis, a plant species in the Acanthaceae family native to India that is widely used against neurological disorders such as paraplegia and sciatica.

Identifiers:

IUPAC Name: 6-hydroxy-2-phenylchromen-4-one
CAS Number: 6665-83-4
PubChem ID: 72279
InChiKey: GPZYYYGYCRFPBU-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O

Structural Properties:

Molecular Formula: C₁₅H₁₀O₃
Molecular Weight: 238.242

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 18

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3D structure (.sdf)
3D structure (.mol2)
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Fang H, Tong WD, Branham WS, Moland CL, Dial SL, Hong HX, Xie Q, Perkins R, Owens W, Sheehan DM. 2003. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chem Res Toxicol 16(10):1338-1358. DOI: 10.1021/tx030011g. URL: http://pubs.acs.org/doi/abs/10.1021/tx030011g.