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COCONUT Compound

28449-62-9

CNP0190006.0 · C11H10O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name28449-62-9
IUPAC Name5-hydroxy-6,7-dimethoxy-chromen-2-one
COCONUT IDCNP0190006.0
InChIKeyKCPNDUHAXDHRKX-UHFFFAOYSA-N
InChIInChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)10(13)11(8)15-2/h3-5,13H,1-2H3
SMILESCOC1=CC2=C(C=CC(=O)O2)C(O)=C1OC

Properties

Molecular FormulaC11H10O5
Molecular Weight222.20
Exact Mass222.05282
Log P (ALogP)1.52
TPSA68.90
H-Bond Donors / Acceptors1 / 5
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.78
NP-likeness1.07

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassCoumarins
NP ClassSimple coumarins
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassCoumarins and derivatives
Chemical SubclassCoumarins and derivatives

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua” in COCONUT

References (4)

  1. 10.1002/CHIN.200847212
  2. 10.1016/0031-9422(94)00591-G
  3. 10.1016/S0968-0896(00)00225-X
  4. 10.3987/com-03-s16

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.