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COCONUT Compound

Licoflavone A

CNP0224418.0 · C20H18O4 · View on COCONUT ↗

2D Structure

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Identifiers

NameLicoflavone A
IUPAC Name7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
COCONUT IDCNP0224418.0
CAS61153-77-3
InChIKeyHJGURBGBPIKRER-UHFFFAOYSA-N
InChIInChI=1S/C20H18O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-11,21-22H,4H2,1-2H3
SMILESCC(C)=CCC1=CC2=C(C=C1O)OC(C1=CC=C(O)C=C1)=CC2=O

Properties

Molecular FormulaC20H18O4
Molecular Weight322.36
Exact Mass322.12051
Log P (ALogP)4.38
TPSA70.67
H-Bond Donors / Acceptors2 / 4
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness1.48

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassHydroxyflavonoids

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (12)

  1. 10.1002/CHIN.200407267
  2. 10.1016/0031-9422(94)00674-I
  3. 10.1016/J.BMC.2009.11.027
  4. 10.1016/J.BMC.2017.05.009
  5. 10.1016/J.BMCL.2010.07.110
  6. 10.1016/S0031-9422(00)82219-0
  7. 10.1016/S0031-9422(00)94793-9
  8. 10.1021/NP020365S
  9. 10.1021/NP50087A005
  10. 10.1248/CPB.42.1056
  11. 10.1248/CPB.51.1095
  12. 10.1248/YAKUSHI1947.118.11_519

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.