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COCONUT Compound

5,7-Dihydroxy-3,6-dimethoxyflavone

CNP0139773.0 · C17H14O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name5,7-Dihydroxy-3,6-dimethoxyflavone
IUPAC Name5,7-dihydroxy-3,6-dimethoxy-2-phenyl-chromen-4-one
COCONUT IDCNP0139773.0
CAS59917-40-7
InChIKeyRVOWLPGDGHUGHV-UHFFFAOYSA-N
InChIInChI=1S/C17H14O6/c1-21-16-10(18)8-11-12(13(16)19)14(20)17(22-2)15(23-11)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
SMILESCOC1=C(O)C=C2OC(C3=CC=CC=C3)=C(OC)C(=O)C2=C1O

Properties

Molecular FormulaC17H14O6
Molecular Weight314.29
Exact Mass314.07904
Log P (ALogP)2.89
TPSA89.13
H-Bond Donors / Acceptors2 / 6
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.77
NP-likeness1.33

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassO-methylated flavonoids

Reported in GR-MAPs Plants

Salvia officinalis as “Salvia officinalis” in COCONUT
Viola odorata as “Viola odorata” in COCONUT

References (8)

  1. 10.1002/JCCS.200200069
  2. 10.1002/JCCS.200900093
  3. 10.1016/0031-9422(80)85015-1
  4. 10.1016/0031-9422(80)85135-1
  5. 10.1016/0378-8741(92)90016-K
  6. 10.1016/S0031-9422(00)90487-4
  7. 10.1016/j.fitote.2018.05.016
  8. 10.2214/AJR.135.2.339

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.