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COCONUT Compound

Licoflavonol

CNP0125435.0 · C20H18O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameLicoflavonol
IUPAC Name3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
COCONUT IDCNP0125435.0
CAS60197-60-6
InChIKeyTVMHBSODLWMMMV-UHFFFAOYSA-N
InChIInChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15-16(17(13)23)18(24)19(25)20(26-15)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3
SMILESCC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(O)C(=O)C2=C1O

Properties

Molecular FormulaC20H18O6
Molecular Weight354.36
Exact Mass354.11034
Log P (ALogP)3.79
TPSA111.13
H-Bond Donors / Acceptors4 / 6
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.53
NP-likeness1.93

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavones

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (8)

  1. 10.1016/0031-9422(76)85130-8
  2. 10.1016/J.BMC.2010.07.073
  3. 10.1016/J.BMCL.2009.12.106
  4. 10.1016/S0021-9673(01)83627-X
  5. 10.1016/S0031-9422(00)00244-2
  6. 10.1016/S0031-9422(00)88812-3
  7. 10.1055/S-0033-1360272
  8. 10.3987/COM-89-5281

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.