|
Menu

COCONUT Compound

5-Hydroxy-3,7,8,2'-tetramethoxyflavone

CNP0143483.0 · C19H18O7 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name5-Hydroxy-3,7,8,2'-tetramethoxyflavone
IUPAC Name5-hydroxy-3,7,8-trimethoxy-2-(2-methoxyphenyl)chromen-4-one
COCONUT IDCNP0143483.0
InChIKeyNDPLDNPWMUMQNB-UHFFFAOYSA-N
InChIInChI=1S/C19H18O7/c1-22-12-8-6-5-7-10(12)16-19(25-4)15(21)14-11(20)9-13(23-2)17(24-3)18(14)26-16/h5-9,20H,1-4H3
SMILESCOC1=CC=CC=C1C1=C(OC)C(=O)C2=C(O)C=C(OC)C(OC)=C2O1

Properties

Molecular FormulaC19H18O7
Molecular Weight358.35
Exact Mass358.10525
Log P (ALogP)3.20
TPSA87.36
H-Bond Donors / Acceptors1 / 7
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.75
NP-likeness1.12

Classification

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

Reported in GR-MAPs Plants

Andrographis paniculata as “Andrographis paniculata” in COCONUT

References (3)

  1. 10.1002/CHIN.200437182
  2. 10.1002/JCCS.200200069
  3. 10.1016/S0031-9422(00)80122-3

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.