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COCONUT Compound

Derrone

CNP0309364.0 · C20H16O5 · View on COCONUT ↗

2D Structure

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Identifiers

NameDerrone
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one
COCONUT IDCNP0309364.0
CAS76166-59-1
InChIKeyZSYPWSSGRVZENH-UHFFFAOYSA-N
InChIInChI=1S/C20H16O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3
SMILESCC1(C)C=CC2=C(C=C(O)C3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O1

Properties

Molecular FormulaC20H16O5
Molecular Weight336.34
Exact Mass336.09977
Log P (ALogP)4.06
TPSA79.90
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness2.26

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavanones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassPyranoisoflavonoids

Reported in GR-MAPs Plants

Tephrosia purpurea as “Tephrosia purpurea” in COCONUT
Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (12)

  1. 10.1016/J.JEP.2008.06.025
  2. 10.1016/J.PHYTOCHEM.2004.02.011
  3. 10.1016/S0031-9422(00)89648-X
  4. 10.1016/S0031-9422(97)00802-9
  5. 10.1016/S0031-9422(99)00171-5
  6. 10.1016/j.bmc.2006.09.024
  7. 10.1016/j.phytochem.2004.02.011
  8. 10.1016/j.phytol.2014.09.002
  9. 10.1021/ACS.JNATPROD.6B00783
  10. 10.1021/JF801227Q
  11. 10.1055/S-2002-32910
  12. 10.1515/ZNC-2002-7-810

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.