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COCONUT Compound

Licoflavanone

CNP0241010.1 · C20H20O5 · View on COCONUT ↗

2D Structure

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Identifiers

NameLicoflavanone
IUPAC Name(2~{S})-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chroman-4-one
COCONUT IDCNP0241010.1
CAS119240-82-3
InChIKeyCGKWSLSAYABZTL-SFHVURJKSA-N
InChIInChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3/t18-/m0/s1
SMILESCC(C)=CCC1=CC([C@@H]2CC(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O

Properties

Molecular FormulaC20H20O5
Molecular Weight340.38
Exact Mass340.13107
Log P (ALogP)4.02
TPSA86.99
H-Bond Donors / Acceptors3 / 5
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.73
NP-likeness2.17

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassFlavanones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavans

Reported in GR-MAPs Plants

Azadirachta indica as “Azadirachta indica” in COCONUT
Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (6)

  1. 10.1002/CHIN.200352233
  2. 10.1002/cbdv.201300266
  3. 10.1016/S0031-9422(00)00244-2
  4. 10.1021/NP50062A017
  5. 10.1021/acs.jnatprod.9b00262
  6. 10.1080/10575639408044043

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.